USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 823 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 88 LYS NZ :NH3+ -133:sc= -0.22 (180deg=-2.14!) USER MOD Set 1.2: A 111 SER OG : rot 180:sc= 0.00516 USER MOD Set 2.1: A 56 THR OG1 : rot -159:sc= -0.269! USER MOD Set 2.2: A 59 GLN : amide:sc= -0.548 K(o=-0.82,f=-3.9) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 172:sc= -0.12 (180deg=-0.315) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -38:sc= 0.0439 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.743 X(o=-0.74,f=-0.63) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.74 X(o=-3.7,f=-3.8) USER MOD Single : A 45 SER OG : rot 180:sc=-0.00434 USER MOD Single : A 46 THR OG1 : rot -83:sc= 1.26 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0394 K(o=-0.039,f=-1.3!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 77 SER OG : rot 140:sc= -0.173 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 71:sc= 1.25 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 63:sc= 0.199 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.188 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 150:sc= -0.951 (180deg=-3.07!) USER MOD Single : A 110 TYR OH : rot -120:sc= -1.6 USER MOD Single : A 112 GLN : amide:sc= -0.0442 X(o=-0.044,f=-0.45) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 22 N LEU A 4 4.880 2.213 -3.096 1.00 0.44 N ATOM 23 CA LEU A 4 5.708 2.365 -4.287 1.00 51.44 C ATOM 24 C LEU A 4 6.339 1.035 -4.683 1.00 25.53 C ATOM 25 O LEU A 4 7.440 0.998 -5.235 1.00 64.51 O ATOM 26 CB LEU A 4 6.798 3.410 -4.046 1.00 71.01 C ATOM 27 CG LEU A 4 7.053 4.392 -5.190 1.00 61.04 C ATOM 28 CD1 LEU A 4 8.240 5.287 -4.871 1.00 32.00 C ATOM 29 CD2 LEU A 4 7.283 3.642 -6.494 1.00 52.52 C ATOM 0 HA LEU A 4 5.069 2.700 -5.104 1.00 51.44 H new ATOM 0 HB2 LEU A 4 6.535 3.981 -3.156 1.00 71.01 H new ATOM 0 HB3 LEU A 4 7.730 2.889 -3.827 1.00 71.01 H new ATOM 0 HG LEU A 4 6.171 5.022 -5.307 1.00 61.04 H new ATOM 0 HD11 LEU A 4 8.406 5.979 -5.697 1.00 32.00 H new ATOM 0 HD12 LEU A 4 8.036 5.851 -3.960 1.00 32.00 H new ATOM 0 HD13 LEU A 4 9.130 4.674 -4.727 1.00 32.00 H new ATOM 0 HD21 LEU A 4 7.463 4.356 -7.298 1.00 52.52 H new ATOM 0 HD22 LEU A 4 8.148 2.988 -6.390 1.00 52.52 H new ATOM 0 HD23 LEU A 4 6.403 3.044 -6.730 1.00 52.52 H new ATOM 41 N LYS A 5 5.637 -0.056 -4.400 1.00 62.45 N ATOM 42 CA LYS A 5 6.127 -1.389 -4.729 1.00 70.04 C ATOM 43 C LYS A 5 6.546 -1.469 -6.193 1.00 62.14 C ATOM 44 O LYS A 5 5.705 -1.433 -7.092 1.00 64.31 O ATOM 45 CB LYS A 5 5.050 -2.437 -4.437 1.00 23.42 C ATOM 46 CG LYS A 5 4.634 -2.492 -2.978 1.00 33.10 C ATOM 47 CD LYS A 5 4.701 -3.908 -2.431 1.00 4.50 C ATOM 48 CE LYS A 5 3.646 -4.143 -1.361 1.00 71.21 C ATOM 49 NZ LYS A 5 4.091 -5.146 -0.354 1.00 21.13 N ATOM 0 H LYS A 5 4.725 -0.043 -3.943 1.00 62.45 H new ATOM 0 HA LYS A 5 7.000 -1.591 -4.109 1.00 70.04 H new ATOM 0 HB2 LYS A 5 4.173 -2.224 -5.048 1.00 23.42 H new ATOM 0 HB3 LYS A 5 5.418 -3.418 -4.738 1.00 23.42 H new ATOM 0 HG2 LYS A 5 5.282 -1.843 -2.389 1.00 33.10 H new ATOM 0 HG3 LYS A 5 3.619 -2.108 -2.874 1.00 33.10 H new ATOM 0 HD2 LYS A 5 4.561 -4.620 -3.244 1.00 4.50 H new ATOM 0 HD3 LYS A 5 5.691 -4.091 -2.014 1.00 4.50 H new ATOM 0 HE2 LYS A 5 3.420 -3.201 -0.860 1.00 71.21 H new ATOM 0 HE3 LYS A 5 2.723 -4.484 -1.830 1.00 71.21 H new ATOM 0 HZ1 LYS A 5 3.344 -5.278 0.358 1.00 21.13 H new ATOM 0 HZ2 LYS A 5 4.282 -6.052 -0.827 1.00 21.13 H new ATOM 0 HZ3 LYS A 5 4.958 -4.809 0.112 1.00 21.13 H new ATOM 63 N SER A 6 7.849 -1.580 -6.426 1.00 64.31 N ATOM 64 CA SER A 6 8.380 -1.664 -7.782 1.00 11.44 C ATOM 65 C SER A 6 7.787 -2.857 -8.525 1.00 12.35 C ATOM 66 O SER A 6 7.781 -2.895 -9.756 1.00 35.22 O ATOM 67 CB SER A 6 9.906 -1.775 -7.749 1.00 50.15 C ATOM 68 OG SER A 6 10.315 -3.129 -7.661 1.00 31.45 O ATOM 0 H SER A 6 8.558 -1.614 -5.693 1.00 64.31 H new ATOM 0 HA SER A 6 8.101 -0.753 -8.312 1.00 11.44 H new ATOM 0 HB2 SER A 6 10.327 -1.322 -8.647 1.00 50.15 H new ATOM 0 HB3 SER A 6 10.296 -1.217 -6.898 1.00 50.15 H new ATOM 0 HG SER A 6 11.294 -3.175 -7.643 1.00 31.45 H new ATOM 74 N ARG A 7 7.288 -3.828 -7.769 1.00 35.20 N ATOM 75 CA ARG A 7 6.693 -5.024 -8.355 1.00 12.22 C ATOM 76 C ARG A 7 5.365 -4.695 -9.031 1.00 34.45 C ATOM 77 O ARG A 7 5.222 -4.841 -10.244 1.00 23.20 O ATOM 78 CB ARG A 7 6.480 -6.092 -7.281 1.00 14.44 C ATOM 79 CG ARG A 7 6.884 -7.488 -7.722 1.00 30.51 C ATOM 80 CD ARG A 7 6.678 -8.506 -6.610 1.00 2.43 C ATOM 81 NE ARG A 7 7.654 -8.347 -5.535 1.00 14.32 N ATOM 82 CZ ARG A 7 8.939 -8.660 -5.657 1.00 33.32 C ATOM 83 NH1 ARG A 7 9.401 -9.147 -6.800 1.00 0.33 N ATOM 84 NH2 ARG A 7 9.765 -8.487 -4.633 1.00 13.24 N ATOM 0 H ARG A 7 7.283 -3.811 -6.749 1.00 35.20 H new ATOM 0 HA ARG A 7 7.379 -5.409 -9.109 1.00 12.22 H new ATOM 0 HB2 ARG A 7 7.051 -5.821 -6.393 1.00 14.44 H new ATOM 0 HB3 ARG A 7 5.429 -6.101 -6.993 1.00 14.44 H new ATOM 0 HG2 ARG A 7 6.300 -7.778 -8.595 1.00 30.51 H new ATOM 0 HG3 ARG A 7 7.931 -7.486 -8.025 1.00 30.51 H new ATOM 0 HD2 ARG A 7 5.672 -8.401 -6.204 1.00 2.43 H new ATOM 0 HD3 ARG A 7 6.753 -9.513 -7.022 1.00 2.43 H new ATOM 0 HE ARG A 7 7.331 -7.975 -4.642 1.00 14.32 H new ATOM 0 HH11 ARG A 7 8.769 -9.282 -7.589 1.00 0.33 H new ATOM 0 HH12 ARG A 7 10.388 -9.386 -6.890 1.00 0.33 H new ATOM 0 HH21 ARG A 7 9.413 -8.113 -3.751 1.00 13.24 H new ATOM 0 HH22 ARG A 7 10.752 -8.728 -4.727 1.00 13.24 H new ATOM 98 N ASP A 8 4.397 -4.250 -8.237 1.00 31.42 N ATOM 99 CA ASP A 8 3.081 -3.900 -8.758 1.00 24.21 C ATOM 100 C ASP A 8 3.152 -2.631 -9.602 1.00 51.43 C ATOM 101 O ASP A 8 2.342 -2.432 -10.509 1.00 13.14 O ATOM 102 CB ASP A 8 2.088 -3.709 -7.610 1.00 23.35 C ATOM 103 CG ASP A 8 2.271 -4.735 -6.510 1.00 75.02 C ATOM 104 OD1 ASP A 8 2.662 -4.343 -5.390 1.00 55.44 O ATOM 105 OD2 ASP A 8 2.021 -5.932 -6.768 1.00 23.54 O ATOM 0 H ASP A 8 4.499 -4.123 -7.230 1.00 31.42 H new ATOM 0 HA ASP A 8 2.738 -4.718 -9.391 1.00 24.21 H new ATOM 0 HB2 ASP A 8 2.207 -2.709 -7.193 1.00 23.35 H new ATOM 0 HB3 ASP A 8 1.072 -3.774 -7.998 1.00 23.35 H new ATOM 110 N TRP A 9 4.121 -1.777 -9.298 1.00 2.02 N ATOM 111 CA TRP A 9 4.296 -0.528 -10.029 1.00 3.14 C ATOM 112 C TRP A 9 4.822 -0.788 -11.436 1.00 63.42 C ATOM 113 O TRP A 9 4.152 -0.489 -12.426 1.00 32.53 O ATOM 114 CB TRP A 9 5.255 0.398 -9.277 1.00 55.43 C ATOM 115 CG TRP A 9 5.545 1.673 -10.008 1.00 12.43 C ATOM 116 CD1 TRP A 9 6.773 2.213 -10.260 1.00 23.12 C ATOM 117 CD2 TRP A 9 4.586 2.572 -10.578 1.00 61.34 C ATOM 118 NE1 TRP A 9 6.636 3.392 -10.953 1.00 32.53 N ATOM 119 CE2 TRP A 9 5.305 3.633 -11.161 1.00 11.11 C ATOM 120 CE3 TRP A 9 3.191 2.581 -10.655 1.00 70.14 C ATOM 121 CZ2 TRP A 9 4.673 4.691 -11.810 1.00 32.42 C ATOM 122 CZ3 TRP A 9 2.566 3.632 -11.299 1.00 74.21 C ATOM 123 CH2 TRP A 9 3.307 4.675 -11.870 1.00 51.23 C ATOM 0 H TRP A 9 4.798 -1.926 -8.550 1.00 2.02 H new ATOM 0 HA TRP A 9 3.322 -0.045 -10.109 1.00 3.14 H new ATOM 0 HB2 TRP A 9 4.830 0.635 -8.302 1.00 55.43 H new ATOM 0 HB3 TRP A 9 6.191 -0.130 -9.096 1.00 55.43 H new ATOM 0 HD1 TRP A 9 7.714 1.778 -9.959 1.00 23.12 H new ATOM 0 HE1 TRP A 9 7.402 3.990 -11.262 1.00 32.53 H new ATOM 0 HE3 TRP A 9 2.611 1.781 -10.219 1.00 70.14 H new ATOM 0 HZ2 TRP A 9 5.242 5.496 -12.251 1.00 32.42 H new ATOM 0 HZ3 TRP A 9 1.488 3.650 -11.363 1.00 74.21 H new ATOM 0 HH2 TRP A 9 2.789 5.482 -12.367 1.00 51.23 H new ATOM 134 N LYS A 10 6.024 -1.349 -11.520 1.00 13.03 N ATOM 135 CA LYS A 10 6.639 -1.652 -12.807 1.00 31.32 C ATOM 136 C LYS A 10 5.710 -2.500 -13.668 1.00 75.04 C ATOM 137 O LYS A 10 5.583 -2.272 -14.870 1.00 42.13 O ATOM 138 CB LYS A 10 7.968 -2.382 -12.600 1.00 40.02 C ATOM 139 CG LYS A 10 8.860 -2.382 -13.829 1.00 63.03 C ATOM 140 CD LYS A 10 10.055 -3.303 -13.652 1.00 75.43 C ATOM 141 CE LYS A 10 10.798 -3.513 -14.962 1.00 14.35 C ATOM 142 NZ LYS A 10 11.784 -4.625 -14.870 1.00 51.50 N ATOM 0 H LYS A 10 6.592 -1.603 -10.712 1.00 13.03 H new ATOM 0 HA LYS A 10 6.825 -0.710 -13.324 1.00 31.32 H new ATOM 0 HB2 LYS A 10 8.504 -1.916 -11.773 1.00 40.02 H new ATOM 0 HB3 LYS A 10 7.765 -3.413 -12.309 1.00 40.02 H new ATOM 0 HG2 LYS A 10 8.283 -2.697 -14.698 1.00 63.03 H new ATOM 0 HG3 LYS A 10 9.207 -1.368 -14.027 1.00 63.03 H new ATOM 0 HD2 LYS A 10 10.734 -2.881 -12.911 1.00 75.43 H new ATOM 0 HD3 LYS A 10 9.720 -4.265 -13.265 1.00 75.43 H new ATOM 0 HE2 LYS A 10 10.082 -3.728 -15.755 1.00 14.35 H new ATOM 0 HE3 LYS A 10 11.313 -2.593 -15.238 1.00 14.35 H new ATOM 0 HZ1 LYS A 10 12.269 -4.735 -15.783 1.00 51.50 H new ATOM 0 HZ2 LYS A 10 12.483 -4.409 -14.131 1.00 51.50 H new ATOM 0 HZ3 LYS A 10 11.290 -5.508 -14.631 1.00 51.50 H new ATOM 156 N MET A 11 5.060 -3.478 -13.045 1.00 71.41 N ATOM 157 CA MET A 11 4.139 -4.358 -13.755 1.00 20.43 C ATOM 158 C MET A 11 2.926 -3.584 -14.258 1.00 5.52 C ATOM 159 O MET A 11 2.530 -3.716 -15.416 1.00 74.02 O ATOM 160 CB MET A 11 3.688 -5.501 -12.845 1.00 33.25 C ATOM 161 CG MET A 11 4.688 -6.642 -12.760 1.00 73.32 C ATOM 162 SD MET A 11 4.167 -8.093 -13.695 1.00 75.35 S ATOM 163 CE MET A 11 3.925 -7.381 -15.320 1.00 24.25 C ATOM 0 H MET A 11 5.154 -3.681 -12.050 1.00 71.41 H new ATOM 0 HA MET A 11 4.664 -4.774 -14.615 1.00 20.43 H new ATOM 0 HB2 MET A 11 3.511 -5.109 -11.844 1.00 33.25 H new ATOM 0 HB3 MET A 11 2.736 -5.889 -13.208 1.00 33.25 H new ATOM 0 HG2 MET A 11 5.654 -6.302 -13.133 1.00 73.32 H new ATOM 0 HG3 MET A 11 4.829 -6.919 -11.715 1.00 73.32 H new ATOM 0 HE1 MET A 11 3.739 -8.176 -16.042 1.00 24.25 H new ATOM 0 HE2 MET A 11 3.070 -6.705 -15.297 1.00 24.25 H new ATOM 0 HE3 MET A 11 4.818 -6.828 -15.611 1.00 24.25 H new ATOM 173 N ALA A 12 2.340 -2.774 -13.381 1.00 21.52 N ATOM 174 CA ALA A 12 1.174 -1.978 -13.738 1.00 12.23 C ATOM 175 C ALA A 12 1.482 -1.042 -14.901 1.00 5.43 C ATOM 176 O ALA A 12 0.642 -0.826 -15.776 1.00 11.24 O ATOM 177 CB ALA A 12 0.689 -1.184 -12.534 1.00 13.42 C ATOM 0 H ALA A 12 2.655 -2.653 -12.418 1.00 21.52 H new ATOM 0 HA ALA A 12 0.384 -2.659 -14.054 1.00 12.23 H new ATOM 0 HB1 ALA A 12 -0.183 -0.593 -12.815 1.00 13.42 H new ATOM 0 HB2 ALA A 12 0.419 -1.870 -11.731 1.00 13.42 H new ATOM 0 HB3 ALA A 12 1.483 -0.519 -12.193 1.00 13.42 H new ATOM 183 N ILE A 13 2.691 -0.490 -14.906 1.00 11.33 N ATOM 184 CA ILE A 13 3.109 0.423 -15.963 1.00 20.30 C ATOM 185 C ILE A 13 3.125 -0.276 -17.318 1.00 33.32 C ATOM 186 O ILE A 13 2.491 0.178 -18.271 1.00 22.25 O ATOM 187 CB ILE A 13 4.507 1.006 -15.682 1.00 11.35 C ATOM 188 CG1 ILE A 13 4.508 1.767 -14.354 1.00 65.41 C ATOM 189 CG2 ILE A 13 4.939 1.918 -16.821 1.00 52.21 C ATOM 190 CD1 ILE A 13 5.822 1.676 -13.608 1.00 45.11 C ATOM 0 H ILE A 13 3.398 -0.659 -14.190 1.00 11.33 H new ATOM 0 HA ILE A 13 2.383 1.236 -15.985 1.00 20.30 H new ATOM 0 HB ILE A 13 5.220 0.184 -15.610 1.00 11.35 H new ATOM 0 HG12 ILE A 13 4.279 2.816 -14.545 1.00 65.41 H new ATOM 0 HG13 ILE A 13 3.711 1.377 -13.720 1.00 65.41 H new ATOM 0 HG21 ILE A 13 5.929 2.322 -16.608 1.00 52.21 H new ATOM 0 HG22 ILE A 13 4.972 1.349 -17.750 1.00 52.21 H new ATOM 0 HG23 ILE A 13 4.227 2.737 -16.922 1.00 52.21 H new ATOM 0 HD11 ILE A 13 5.751 2.238 -12.677 1.00 45.11 H new ATOM 0 HD12 ILE A 13 6.043 0.632 -13.386 1.00 45.11 H new ATOM 0 HD13 ILE A 13 6.619 2.093 -14.223 1.00 45.11 H new ATOM 202 N LYS A 14 3.852 -1.385 -17.397 1.00 23.33 N ATOM 203 CA LYS A 14 3.949 -2.151 -18.634 1.00 33.03 C ATOM 204 C LYS A 14 2.564 -2.507 -19.163 1.00 74.12 C ATOM 205 O LYS A 14 2.332 -2.508 -20.372 1.00 52.41 O ATOM 206 CB LYS A 14 4.764 -3.427 -18.406 1.00 13.22 C ATOM 207 CG LYS A 14 5.030 -4.213 -19.678 1.00 34.12 C ATOM 208 CD LYS A 14 6.518 -4.296 -19.980 1.00 13.40 C ATOM 209 CE LYS A 14 7.098 -5.637 -19.560 1.00 43.32 C ATOM 210 NZ LYS A 14 6.803 -6.705 -20.555 1.00 42.42 N ATOM 0 H LYS A 14 4.383 -1.774 -16.618 1.00 23.33 H new ATOM 0 HA LYS A 14 4.454 -1.533 -19.376 1.00 33.03 H new ATOM 0 HB2 LYS A 14 5.716 -3.163 -17.946 1.00 13.22 H new ATOM 0 HB3 LYS A 14 4.234 -4.065 -17.698 1.00 13.22 H new ATOM 0 HG2 LYS A 14 4.621 -5.218 -19.578 1.00 34.12 H new ATOM 0 HG3 LYS A 14 4.514 -3.741 -20.514 1.00 34.12 H new ATOM 0 HD2 LYS A 14 6.683 -4.145 -21.047 1.00 13.40 H new ATOM 0 HD3 LYS A 14 7.041 -3.493 -19.460 1.00 13.40 H new ATOM 0 HE2 LYS A 14 8.177 -5.543 -19.437 1.00 43.32 H new ATOM 0 HE3 LYS A 14 6.690 -5.921 -18.590 1.00 43.32 H new ATOM 0 HZ1 LYS A 14 7.215 -7.604 -20.232 1.00 42.42 H new ATOM 0 HZ2 LYS A 14 5.773 -6.812 -20.654 1.00 42.42 H new ATOM 0 HZ3 LYS A 14 7.214 -6.446 -21.474 1.00 42.42 H new ATOM 224 N ARG A 15 1.646 -2.809 -18.250 1.00 74.24 N ATOM 225 CA ARG A 15 0.284 -3.167 -18.625 1.00 0.11 C ATOM 226 C ARG A 15 -0.391 -2.024 -19.378 1.00 75.01 C ATOM 227 O ARG A 15 -0.914 -2.214 -20.477 1.00 15.23 O ATOM 228 CB ARG A 15 -0.533 -3.526 -17.383 1.00 73.32 C ATOM 229 CG ARG A 15 -0.458 -4.997 -17.007 1.00 43.43 C ATOM 230 CD ARG A 15 -1.778 -5.706 -17.267 1.00 63.04 C ATOM 231 NE ARG A 15 -1.650 -7.158 -17.160 1.00 3.43 N ATOM 232 CZ ARG A 15 -1.151 -7.925 -18.123 1.00 14.33 C ATOM 233 NH1 ARG A 15 -0.736 -7.383 -19.259 1.00 32.15 N ATOM 234 NH2 ARG A 15 -1.068 -9.238 -17.950 1.00 51.10 N ATOM 0 H ARG A 15 1.821 -2.813 -17.245 1.00 74.24 H new ATOM 0 HA ARG A 15 0.332 -4.035 -19.283 1.00 0.11 H new ATOM 0 HB2 ARG A 15 -0.182 -2.927 -16.543 1.00 73.32 H new ATOM 0 HB3 ARG A 15 -1.575 -3.256 -17.554 1.00 73.32 H new ATOM 0 HG2 ARG A 15 0.335 -5.480 -17.579 1.00 43.43 H new ATOM 0 HG3 ARG A 15 -0.194 -5.092 -15.954 1.00 43.43 H new ATOM 0 HD2 ARG A 15 -2.525 -5.354 -16.555 1.00 63.04 H new ATOM 0 HD3 ARG A 15 -2.139 -5.446 -18.262 1.00 63.04 H new ATOM 0 HE ARG A 15 -1.961 -7.607 -16.299 1.00 3.43 H new ATOM 0 HH11 ARG A 15 -0.799 -6.374 -19.396 1.00 32.15 H new ATOM 0 HH12 ARG A 15 -0.353 -7.975 -19.996 1.00 32.15 H new ATOM 0 HH21 ARG A 15 -1.387 -9.659 -17.077 1.00 51.10 H new ATOM 0 HH22 ARG A 15 -0.685 -9.827 -18.690 1.00 51.10 H new ATOM 248 N CYS A 16 -0.376 -0.839 -18.778 1.00 3.41 N ATOM 249 CA CYS A 16 -0.988 0.336 -19.391 1.00 22.01 C ATOM 250 C CYS A 16 -0.208 0.772 -20.628 1.00 72.04 C ATOM 251 O CYS A 16 -0.699 1.557 -21.438 1.00 43.24 O ATOM 252 CB CYS A 16 -1.057 1.485 -18.385 1.00 21.41 C ATOM 253 SG CYS A 16 -2.030 2.901 -18.946 1.00 42.51 S ATOM 0 H CYS A 16 0.053 -0.666 -17.869 1.00 3.41 H new ATOM 0 HA CYS A 16 -2.000 0.070 -19.697 1.00 22.01 H new ATOM 0 HB2 CYS A 16 -1.482 1.112 -17.453 1.00 21.41 H new ATOM 0 HB3 CYS A 16 -0.044 1.820 -18.162 1.00 21.41 H new ATOM 0 HG CYS A 16 -1.833 3.086 -20.218 1.00 42.51 H new ATOM 259 N SER A 17 1.011 0.260 -20.764 1.00 52.04 N ATOM 260 CA SER A 17 1.861 0.600 -21.898 1.00 3.03 C ATOM 261 C SER A 17 1.338 -0.040 -23.181 1.00 4.33 C ATOM 262 O SER A 17 1.829 0.243 -24.273 1.00 14.12 O ATOM 263 CB SER A 17 3.300 0.148 -21.639 1.00 15.41 C ATOM 264 OG SER A 17 4.229 1.037 -22.235 1.00 71.54 O ATOM 0 H SER A 17 1.432 -0.392 -20.102 1.00 52.04 H new ATOM 0 HA SER A 17 1.845 1.683 -22.020 1.00 3.03 H new ATOM 0 HB2 SER A 17 3.480 0.095 -20.565 1.00 15.41 H new ATOM 0 HB3 SER A 17 3.446 -0.856 -22.037 1.00 15.41 H new ATOM 0 HG SER A 17 5.141 0.727 -22.054 1.00 71.54 H new ATOM 270 N ASN A 18 0.339 -0.904 -23.039 1.00 71.13 N ATOM 271 CA ASN A 18 -0.251 -1.586 -24.185 1.00 40.20 C ATOM 272 C ASN A 18 -1.647 -1.047 -24.479 1.00 3.44 C ATOM 273 O ASN A 18 -2.439 -1.686 -25.172 1.00 42.10 O ATOM 274 CB ASN A 18 -0.318 -3.093 -23.930 1.00 11.14 C ATOM 275 CG ASN A 18 0.417 -3.892 -24.989 1.00 54.02 C ATOM 276 OD1 ASN A 18 -0.181 -4.344 -25.967 1.00 31.33 O ATOM 277 ND2 ASN A 18 1.718 -4.070 -24.799 1.00 32.12 N ATOM 0 H ASN A 18 -0.079 -1.149 -22.141 1.00 71.13 H new ATOM 0 HA ASN A 18 0.382 -1.399 -25.052 1.00 40.20 H new ATOM 0 HB2 ASN A 18 0.109 -3.312 -22.952 1.00 11.14 H new ATOM 0 HB3 ASN A 18 -1.361 -3.408 -23.900 1.00 11.14 H new ATOM 0 HD21 ASN A 18 2.265 -4.600 -25.478 1.00 32.12 H new ATOM 0 HD22 ASN A 18 2.171 -3.677 -23.974 1.00 32.12 H new ATOM 284 N VAL A 19 -1.943 0.137 -23.949 1.00 42.03 N ATOM 285 CA VAL A 19 -3.242 0.764 -24.155 1.00 4.51 C ATOM 286 C VAL A 19 -3.193 1.764 -25.304 1.00 3.50 C ATOM 287 O VAL A 19 -2.118 2.204 -25.713 1.00 71.42 O ATOM 288 CB VAL A 19 -3.726 1.484 -22.883 1.00 50.32 C ATOM 289 CG1 VAL A 19 -3.588 0.576 -21.670 1.00 43.11 C ATOM 290 CG2 VAL A 19 -2.958 2.781 -22.680 1.00 72.31 C ATOM 0 H VAL A 19 -1.299 0.680 -23.374 1.00 42.03 H new ATOM 0 HA VAL A 19 -3.943 -0.034 -24.401 1.00 4.51 H new ATOM 0 HB VAL A 19 -4.781 1.729 -23.004 1.00 50.32 H new ATOM 0 HG11 VAL A 19 -3.935 1.102 -20.780 1.00 43.11 H new ATOM 0 HG12 VAL A 19 -4.188 -0.322 -21.818 1.00 43.11 H new ATOM 0 HG13 VAL A 19 -2.542 0.297 -21.542 1.00 43.11 H new ATOM 0 HG21 VAL A 19 -3.313 3.277 -21.776 1.00 72.31 H new ATOM 0 HG22 VAL A 19 -1.895 2.562 -22.580 1.00 72.31 H new ATOM 0 HG23 VAL A 19 -3.115 3.435 -23.538 1.00 72.31 H new ATOM 300 N ALA A 20 -4.364 2.122 -25.822 1.00 32.22 N ATOM 301 CA ALA A 20 -4.454 3.073 -26.923 1.00 73.02 C ATOM 302 C ALA A 20 -5.028 4.405 -26.451 1.00 63.52 C ATOM 303 O ALA A 20 -5.893 4.445 -25.576 1.00 22.41 O ATOM 304 CB ALA A 20 -5.303 2.499 -28.048 1.00 14.44 C ATOM 0 H ALA A 20 -5.263 1.767 -25.496 1.00 32.22 H new ATOM 0 HA ALA A 20 -3.447 3.253 -27.299 1.00 73.02 H new ATOM 0 HB1 ALA A 20 -5.362 3.220 -28.864 1.00 14.44 H new ATOM 0 HB2 ALA A 20 -4.850 1.576 -28.411 1.00 14.44 H new ATOM 0 HB3 ALA A 20 -6.306 2.289 -27.676 1.00 14.44 H new ATOM 310 N VAL A 21 -4.540 5.494 -27.036 1.00 43.33 N ATOM 311 CA VAL A 21 -5.005 6.829 -26.677 1.00 74.44 C ATOM 312 C VAL A 21 -6.515 6.951 -26.852 1.00 62.33 C ATOM 313 O VAL A 21 -7.163 7.763 -26.193 1.00 64.34 O ATOM 314 CB VAL A 21 -4.312 7.912 -27.524 1.00 63.51 C ATOM 315 CG1 VAL A 21 -4.652 9.299 -27.000 1.00 71.23 C ATOM 316 CG2 VAL A 21 -2.807 7.693 -27.540 1.00 34.21 C ATOM 0 H VAL A 21 -3.823 5.478 -27.761 1.00 43.33 H new ATOM 0 HA VAL A 21 -4.750 6.981 -25.628 1.00 74.44 H new ATOM 0 HB VAL A 21 -4.678 7.837 -28.548 1.00 63.51 H new ATOM 0 HG11 VAL A 21 -4.153 10.051 -27.611 1.00 71.23 H new ATOM 0 HG12 VAL A 21 -5.730 9.451 -27.046 1.00 71.23 H new ATOM 0 HG13 VAL A 21 -4.316 9.390 -25.967 1.00 71.23 H new ATOM 0 HG21 VAL A 21 -2.333 8.467 -28.143 1.00 34.21 H new ATOM 0 HG22 VAL A 21 -2.422 7.740 -26.521 1.00 34.21 H new ATOM 0 HG23 VAL A 21 -2.586 6.715 -27.967 1.00 34.21 H new ATOM 396 N LYS A 28 -0.850 4.920 -32.078 1.00 1.41 N ATOM 397 CA LYS A 28 -0.817 5.908 -31.006 1.00 44.43 C ATOM 398 C LYS A 28 -1.270 5.294 -29.686 1.00 11.22 C ATOM 399 O LYS A 28 -2.467 5.189 -29.416 1.00 64.22 O ATOM 400 CB LYS A 28 -1.707 7.102 -31.358 1.00 14.41 C ATOM 401 CG LYS A 28 -0.997 8.441 -31.260 1.00 71.40 C ATOM 402 CD LYS A 28 -1.943 9.596 -31.544 1.00 23.23 C ATOM 403 CE LYS A 28 -2.157 9.785 -33.038 1.00 41.23 C ATOM 404 NZ LYS A 28 -3.058 10.935 -33.328 1.00 62.11 N ATOM 0 HA LYS A 28 0.212 6.250 -30.893 1.00 44.43 H new ATOM 0 HB2 LYS A 28 -2.086 6.975 -32.372 1.00 14.41 H new ATOM 0 HB3 LYS A 28 -2.571 7.109 -30.693 1.00 14.41 H new ATOM 0 HG2 LYS A 28 -0.570 8.556 -30.264 1.00 71.40 H new ATOM 0 HG3 LYS A 28 -0.168 8.467 -31.967 1.00 71.40 H new ATOM 0 HD2 LYS A 28 -2.901 9.411 -31.058 1.00 23.23 H new ATOM 0 HD3 LYS A 28 -1.539 10.513 -31.114 1.00 23.23 H new ATOM 0 HE2 LYS A 28 -1.195 9.945 -33.525 1.00 41.23 H new ATOM 0 HE3 LYS A 28 -2.582 8.875 -33.462 1.00 41.23 H new ATOM 0 HZ1 LYS A 28 -3.179 11.031 -34.357 1.00 62.11 H new ATOM 0 HZ2 LYS A 28 -3.984 10.771 -32.884 1.00 62.11 H new ATOM 0 HZ3 LYS A 28 -2.641 11.808 -32.946 1.00 62.11 H new ATOM 418 N LYS A 29 -0.306 4.891 -28.865 1.00 13.52 N ATOM 419 CA LYS A 29 -0.605 4.291 -27.570 1.00 62.44 C ATOM 420 C LYS A 29 -0.170 5.207 -26.431 1.00 42.32 C ATOM 421 O LYS A 29 0.576 6.163 -26.641 1.00 4.11 O ATOM 422 CB LYS A 29 0.092 2.934 -27.442 1.00 32.34 C ATOM 423 CG LYS A 29 1.549 2.956 -27.871 1.00 3.11 C ATOM 424 CD LYS A 29 2.320 1.785 -27.285 1.00 20.45 C ATOM 425 CE LYS A 29 3.792 2.124 -27.101 1.00 64.42 C ATOM 426 NZ LYS A 29 4.580 0.946 -26.644 1.00 72.53 N ATOM 0 H LYS A 29 0.689 4.969 -29.074 1.00 13.52 H new ATOM 0 HA LYS A 29 -1.684 4.148 -27.504 1.00 62.44 H new ATOM 0 HB2 LYS A 29 0.032 2.600 -26.406 1.00 32.34 H new ATOM 0 HB3 LYS A 29 -0.444 2.201 -28.045 1.00 32.34 H new ATOM 0 HG2 LYS A 29 1.610 2.925 -28.959 1.00 3.11 H new ATOM 0 HG3 LYS A 29 2.009 3.892 -27.553 1.00 3.11 H new ATOM 0 HD2 LYS A 29 1.887 1.507 -26.324 1.00 20.45 H new ATOM 0 HD3 LYS A 29 2.224 0.920 -27.941 1.00 20.45 H new ATOM 0 HE2 LYS A 29 4.201 2.491 -28.043 1.00 64.42 H new ATOM 0 HE3 LYS A 29 3.891 2.931 -26.375 1.00 64.42 H new ATOM 0 HZ1 LYS A 29 5.577 1.218 -26.531 1.00 72.53 H new ATOM 0 HZ2 LYS A 29 4.207 0.611 -25.733 1.00 72.53 H new ATOM 0 HZ3 LYS A 29 4.507 0.185 -27.349 1.00 72.53 H new ATOM 440 N PHE A 30 -0.641 4.909 -25.225 1.00 64.53 N ATOM 441 CA PHE A 30 -0.300 5.705 -24.053 1.00 12.15 C ATOM 442 C PHE A 30 1.066 5.306 -23.502 1.00 20.41 C ATOM 443 O PHE A 30 1.181 4.366 -22.716 1.00 23.00 O ATOM 444 CB PHE A 30 -1.367 5.540 -22.969 1.00 73.21 C ATOM 445 CG PHE A 30 -1.690 6.816 -22.246 1.00 40.35 C ATOM 446 CD1 PHE A 30 -2.122 7.932 -22.943 1.00 4.41 C ATOM 447 CD2 PHE A 30 -1.563 6.900 -20.869 1.00 73.14 C ATOM 448 CE1 PHE A 30 -2.421 9.108 -22.282 1.00 31.43 C ATOM 449 CE2 PHE A 30 -1.860 8.072 -20.202 1.00 55.12 C ATOM 450 CZ PHE A 30 -2.289 9.179 -20.909 1.00 73.54 C ATOM 0 H PHE A 30 -1.260 4.121 -25.034 1.00 64.53 H new ATOM 0 HA PHE A 30 -0.259 6.751 -24.356 1.00 12.15 H new ATOM 0 HB2 PHE A 30 -2.277 5.149 -23.423 1.00 73.21 H new ATOM 0 HB3 PHE A 30 -1.027 4.798 -22.246 1.00 73.21 H new ATOM 0 HD1 PHE A 30 -2.227 7.883 -24.017 1.00 4.41 H new ATOM 0 HD2 PHE A 30 -1.228 6.039 -20.311 1.00 73.14 H new ATOM 0 HE1 PHE A 30 -2.757 9.970 -22.838 1.00 31.43 H new ATOM 0 HE2 PHE A 30 -1.757 8.123 -19.128 1.00 55.12 H new ATOM 0 HZ PHE A 30 -2.520 10.097 -20.389 1.00 73.54 H new ATOM 460 N GLY A 31 2.101 6.028 -23.921 1.00 12.40 N ATOM 461 CA GLY A 31 3.445 5.735 -23.461 1.00 3.03 C ATOM 462 C GLY A 31 3.665 6.137 -22.016 1.00 12.53 C ATOM 463 O GLY A 31 2.777 6.706 -21.382 1.00 11.13 O ATOM 0 H GLY A 31 2.032 6.811 -24.571 1.00 12.40 H new ATOM 0 HA2 GLY A 31 3.639 4.668 -23.571 1.00 3.03 H new ATOM 0 HA3 GLY A 31 4.164 6.257 -24.093 1.00 3.03 H new ATOM 467 N GLU A 32 4.852 5.842 -21.494 1.00 74.05 N ATOM 468 CA GLU A 32 5.183 6.175 -20.114 1.00 72.33 C ATOM 469 C GLU A 32 5.131 7.684 -19.891 1.00 74.13 C ATOM 470 O GLU A 32 4.900 8.151 -18.776 1.00 64.24 O ATOM 471 CB GLU A 32 6.572 5.644 -19.756 1.00 42.35 C ATOM 472 CG GLU A 32 6.546 4.466 -18.796 1.00 51.11 C ATOM 473 CD GLU A 32 7.749 4.439 -17.874 1.00 62.24 C ATOM 474 OE1 GLU A 32 7.679 5.054 -16.790 1.00 33.32 O ATOM 475 OE2 GLU A 32 8.760 3.801 -18.237 1.00 34.22 O ATOM 0 H GLU A 32 5.599 5.373 -22.006 1.00 74.05 H new ATOM 0 HA GLU A 32 4.444 5.703 -19.467 1.00 72.33 H new ATOM 0 HB2 GLU A 32 7.084 5.345 -20.671 1.00 42.35 H new ATOM 0 HB3 GLU A 32 7.156 6.450 -19.313 1.00 42.35 H new ATOM 0 HG2 GLU A 32 5.636 4.509 -18.198 1.00 51.11 H new ATOM 0 HG3 GLU A 32 6.509 3.538 -19.366 1.00 51.11 H new ATOM 482 N GLY A 33 5.347 8.442 -20.962 1.00 22.12 N ATOM 483 CA GLY A 33 5.321 9.890 -20.863 1.00 51.13 C ATOM 484 C GLY A 33 3.948 10.422 -20.503 1.00 60.15 C ATOM 485 O GLY A 33 3.798 11.168 -19.537 1.00 74.44 O ATOM 0 H GLY A 33 5.539 8.080 -21.896 1.00 22.12 H new ATOM 0 HA2 GLY A 33 6.041 10.213 -20.111 1.00 51.13 H new ATOM 0 HA3 GLY A 33 5.637 10.322 -21.813 1.00 51.13 H new ATOM 489 N ASN A 34 2.943 10.039 -21.284 1.00 13.13 N ATOM 490 CA ASN A 34 1.576 10.485 -21.044 1.00 14.11 C ATOM 491 C ASN A 34 1.062 9.967 -19.704 1.00 10.23 C ATOM 492 O ASN A 34 0.357 10.674 -18.983 1.00 74.51 O ATOM 493 CB ASN A 34 0.658 10.011 -22.172 1.00 53.44 C ATOM 494 CG ASN A 34 1.278 10.203 -23.542 1.00 44.05 C ATOM 495 OD1 ASN A 34 2.045 11.141 -23.762 1.00 43.32 O ATOM 496 ND2 ASN A 34 0.948 9.313 -24.471 1.00 23.11 N ATOM 0 H ASN A 34 3.050 9.421 -22.088 1.00 13.13 H new ATOM 0 HA ASN A 34 1.575 11.575 -21.017 1.00 14.11 H new ATOM 0 HB2 ASN A 34 0.424 8.956 -22.027 1.00 53.44 H new ATOM 0 HB3 ASN A 34 -0.284 10.557 -22.123 1.00 53.44 H new ATOM 0 HD21 ASN A 34 1.334 9.391 -25.412 1.00 23.11 H new ATOM 0 HD22 ASN A 34 0.308 8.552 -24.244 1.00 23.11 H new ATOM 503 N PHE A 35 1.422 8.730 -19.376 1.00 53.34 N ATOM 504 CA PHE A 35 0.997 8.117 -18.123 1.00 13.12 C ATOM 505 C PHE A 35 1.660 8.803 -16.931 1.00 40.15 C ATOM 506 O PHE A 35 0.984 9.369 -16.073 1.00 15.41 O ATOM 507 CB PHE A 35 1.335 6.625 -18.121 1.00 12.14 C ATOM 508 CG PHE A 35 1.254 5.995 -16.760 1.00 31.41 C ATOM 509 CD1 PHE A 35 2.384 5.463 -16.160 1.00 64.42 C ATOM 510 CD2 PHE A 35 0.048 5.933 -16.080 1.00 42.33 C ATOM 511 CE1 PHE A 35 2.313 4.882 -14.908 1.00 72.11 C ATOM 512 CE2 PHE A 35 -0.029 5.353 -14.828 1.00 11.43 C ATOM 513 CZ PHE A 35 1.104 4.827 -14.242 1.00 21.11 C ATOM 0 H PHE A 35 2.007 8.133 -19.961 1.00 53.34 H new ATOM 0 HA PHE A 35 -0.083 8.237 -18.035 1.00 13.12 H new ATOM 0 HB2 PHE A 35 0.654 6.105 -18.795 1.00 12.14 H new ATOM 0 HB3 PHE A 35 2.341 6.488 -18.517 1.00 12.14 H new ATOM 0 HD1 PHE A 35 3.331 5.503 -16.677 1.00 64.42 H new ATOM 0 HD2 PHE A 35 -0.842 6.343 -16.534 1.00 42.33 H new ATOM 0 HE1 PHE A 35 3.201 4.472 -14.451 1.00 72.11 H new ATOM 0 HE2 PHE A 35 -0.975 5.311 -14.309 1.00 11.43 H new ATOM 0 HZ PHE A 35 1.046 4.373 -13.264 1.00 21.11 H new ATOM 523 N ARG A 36 2.987 8.745 -16.886 1.00 73.14 N ATOM 524 CA ARG A 36 3.741 9.357 -15.799 1.00 13.32 C ATOM 525 C ARG A 36 3.324 10.811 -15.599 1.00 45.34 C ATOM 526 O ARG A 36 3.378 11.335 -14.487 1.00 12.13 O ATOM 527 CB ARG A 36 5.242 9.281 -16.085 1.00 2.10 C ATOM 528 CG ARG A 36 6.109 9.563 -14.869 1.00 44.21 C ATOM 529 CD ARG A 36 7.165 10.614 -15.172 1.00 34.35 C ATOM 530 NE ARG A 36 6.573 11.891 -15.560 1.00 74.21 N ATOM 531 CZ ARG A 36 7.273 13.008 -15.723 1.00 14.13 C ATOM 532 NH1 ARG A 36 8.585 13.005 -15.531 1.00 11.54 N ATOM 533 NH2 ARG A 36 6.661 14.130 -16.078 1.00 21.14 N ATOM 0 H ARG A 36 3.562 8.281 -17.589 1.00 73.14 H new ATOM 0 HA ARG A 36 3.524 8.805 -14.884 1.00 13.32 H new ATOM 0 HB2 ARG A 36 5.480 8.289 -16.468 1.00 2.10 H new ATOM 0 HB3 ARG A 36 5.490 9.994 -16.871 1.00 2.10 H new ATOM 0 HG2 ARG A 36 5.482 9.902 -14.044 1.00 44.21 H new ATOM 0 HG3 ARG A 36 6.593 8.642 -14.544 1.00 44.21 H new ATOM 0 HD2 ARG A 36 7.794 10.759 -14.294 1.00 34.35 H new ATOM 0 HD3 ARG A 36 7.812 10.257 -15.973 1.00 34.35 H new ATOM 0 HE ARG A 36 5.565 11.927 -15.715 1.00 74.21 H new ATOM 0 HH11 ARG A 36 9.058 12.144 -15.258 1.00 11.54 H new ATOM 0 HH12 ARG A 36 9.121 13.864 -15.657 1.00 11.54 H new ATOM 0 HH21 ARG A 36 5.652 14.136 -16.226 1.00 21.14 H new ATOM 0 HH22 ARG A 36 7.200 14.987 -16.203 1.00 21.14 H new ATOM 547 N TRP A 37 2.908 11.456 -16.683 1.00 22.24 N ATOM 548 CA TRP A 37 2.483 12.850 -16.627 1.00 52.24 C ATOM 549 C TRP A 37 1.161 12.986 -15.879 1.00 62.55 C ATOM 550 O TRP A 37 1.014 13.845 -15.010 1.00 63.42 O ATOM 551 CB TRP A 37 2.343 13.419 -18.040 1.00 11.01 C ATOM 552 CG TRP A 37 1.563 14.698 -18.090 1.00 1.50 C ATOM 553 CD1 TRP A 37 2.060 15.966 -17.989 1.00 22.33 C ATOM 554 CD2 TRP A 37 0.148 14.833 -18.253 1.00 40.45 C ATOM 555 NE1 TRP A 37 1.040 16.880 -18.079 1.00 52.31 N ATOM 556 CE2 TRP A 37 -0.144 16.211 -18.242 1.00 42.14 C ATOM 557 CE3 TRP A 37 -0.903 13.924 -18.409 1.00 64.45 C ATOM 558 CZ2 TRP A 37 -1.441 16.698 -18.380 1.00 12.21 C ATOM 559 CZ3 TRP A 37 -2.189 14.408 -18.546 1.00 13.20 C ATOM 560 CH2 TRP A 37 -2.449 15.785 -18.531 1.00 51.51 C ATOM 0 H TRP A 37 2.856 11.036 -17.611 1.00 22.24 H new ATOM 0 HA TRP A 37 3.244 13.415 -16.089 1.00 52.24 H new ATOM 0 HB2 TRP A 37 3.336 13.591 -18.455 1.00 11.01 H new ATOM 0 HB3 TRP A 37 1.856 12.679 -18.675 1.00 11.01 H new ATOM 0 HD1 TRP A 37 3.103 16.213 -17.858 1.00 22.33 H new ATOM 0 HE1 TRP A 37 1.146 17.893 -18.032 1.00 52.31 H new ATOM 0 HE3 TRP A 37 -0.712 12.861 -18.422 1.00 64.45 H new ATOM 0 HZ2 TRP A 37 -1.644 17.759 -18.368 1.00 12.21 H new ATOM 0 HZ3 TRP A 37 -3.008 13.714 -18.667 1.00 13.20 H new ATOM 0 HH2 TRP A 37 -3.466 16.133 -18.641 1.00 51.51 H new ATOM 571 N ALA A 38 0.201 12.131 -16.221 1.00 24.12 N ATOM 572 CA ALA A 38 -1.107 12.155 -15.579 1.00 2.23 C ATOM 573 C ALA A 38 -1.013 11.708 -14.124 1.00 72.44 C ATOM 574 O ALA A 38 -1.842 12.083 -13.295 1.00 54.22 O ATOM 575 CB ALA A 38 -2.086 11.275 -16.342 1.00 21.33 C ATOM 0 H ALA A 38 0.306 11.414 -16.939 1.00 24.12 H new ATOM 0 HA ALA A 38 -1.472 13.182 -15.593 1.00 2.23 H new ATOM 0 HB1 ALA A 38 -3.059 11.303 -15.851 1.00 21.33 H new ATOM 0 HB2 ALA A 38 -2.185 11.642 -17.364 1.00 21.33 H new ATOM 0 HB3 ALA A 38 -1.717 10.250 -16.359 1.00 21.33 H new ATOM 581 N ILE A 39 0.000 10.904 -13.822 1.00 61.54 N ATOM 582 CA ILE A 39 0.202 10.405 -12.467 1.00 2.31 C ATOM 583 C ILE A 39 0.759 11.496 -11.558 1.00 22.14 C ATOM 584 O ILE A 39 0.085 11.953 -10.635 1.00 13.13 O ATOM 585 CB ILE A 39 1.158 9.199 -12.447 1.00 61.24 C ATOM 586 CG1 ILE A 39 0.533 8.013 -13.186 1.00 13.02 C ATOM 587 CG2 ILE A 39 1.500 8.816 -11.015 1.00 14.03 C ATOM 588 CD1 ILE A 39 -0.691 7.450 -12.499 1.00 12.54 C ATOM 0 H ILE A 39 0.694 10.584 -14.497 1.00 61.54 H new ATOM 0 HA ILE A 39 -0.774 10.090 -12.098 1.00 2.31 H new ATOM 0 HB ILE A 39 2.080 9.477 -12.958 1.00 61.24 H new ATOM 0 HG12 ILE A 39 0.262 8.326 -14.194 1.00 13.02 H new ATOM 0 HG13 ILE A 39 1.278 7.224 -13.286 1.00 13.02 H new ATOM 0 HG21 ILE A 39 2.177 7.962 -11.019 1.00 14.03 H new ATOM 0 HG22 ILE A 39 1.982 9.658 -10.518 1.00 14.03 H new ATOM 0 HG23 ILE A 39 0.587 8.553 -10.481 1.00 14.03 H new ATOM 0 HD11 ILE A 39 -1.081 6.613 -13.078 1.00 12.54 H new ATOM 0 HD12 ILE A 39 -0.422 7.106 -11.500 1.00 12.54 H new ATOM 0 HD13 ILE A 39 -1.454 8.225 -12.423 1.00 12.54 H new ATOM 600 N ARG A 40 1.994 11.909 -11.826 1.00 52.34 N ATOM 601 CA ARG A 40 2.641 12.946 -11.033 1.00 31.24 C ATOM 602 C ARG A 40 1.758 14.187 -10.933 1.00 45.33 C ATOM 603 O ARG A 40 1.723 14.857 -9.902 1.00 70.53 O ATOM 604 CB ARG A 40 3.993 13.318 -11.645 1.00 74.42 C ATOM 605 CG ARG A 40 5.040 12.223 -11.519 1.00 40.40 C ATOM 606 CD ARG A 40 6.372 12.778 -11.041 1.00 11.33 C ATOM 607 NE ARG A 40 7.178 11.764 -10.365 1.00 51.32 N ATOM 608 CZ ARG A 40 8.305 12.033 -9.719 1.00 31.55 C ATOM 609 NH1 ARG A 40 8.760 13.278 -9.659 1.00 42.53 N ATOM 610 NH2 ARG A 40 8.982 11.056 -9.128 1.00 0.45 N ATOM 0 H ARG A 40 2.566 11.541 -12.586 1.00 52.34 H new ATOM 0 HA ARG A 40 2.800 12.552 -10.029 1.00 31.24 H new ATOM 0 HB2 ARG A 40 3.852 13.555 -12.700 1.00 74.42 H new ATOM 0 HB3 ARG A 40 4.365 14.222 -11.162 1.00 74.42 H new ATOM 0 HG2 ARG A 40 4.690 11.462 -10.821 1.00 40.40 H new ATOM 0 HG3 ARG A 40 5.174 11.733 -12.484 1.00 40.40 H new ATOM 0 HD2 ARG A 40 6.926 13.173 -11.892 1.00 11.33 H new ATOM 0 HD3 ARG A 40 6.194 13.612 -10.362 1.00 11.33 H new ATOM 0 HE ARG A 40 6.857 10.796 -10.391 1.00 51.32 H new ATOM 0 HH11 ARG A 40 8.243 14.032 -10.111 1.00 42.53 H new ATOM 0 HH12 ARG A 40 9.627 13.481 -9.161 1.00 42.53 H new ATOM 0 HH21 ARG A 40 8.636 10.098 -9.170 1.00 0.45 H new ATOM 0 HH22 ARG A 40 9.848 11.264 -8.632 1.00 0.45 H new ATOM 624 N MET A 41 1.045 14.487 -12.015 1.00 2.41 N ATOM 625 CA MET A 41 0.161 15.646 -12.050 1.00 22.44 C ATOM 626 C MET A 41 -1.053 15.432 -11.151 1.00 23.11 C ATOM 627 O MET A 41 -1.332 16.240 -10.266 1.00 72.12 O ATOM 628 CB MET A 41 -0.294 15.924 -13.484 1.00 12.11 C ATOM 629 CG MET A 41 -1.218 17.126 -13.606 1.00 24.03 C ATOM 630 SD MET A 41 -0.574 18.386 -14.724 1.00 54.24 S ATOM 631 CE MET A 41 0.165 19.527 -13.559 1.00 53.31 C ATOM 0 H MET A 41 1.063 13.944 -12.878 1.00 2.41 H new ATOM 0 HA MET A 41 0.717 16.507 -11.680 1.00 22.44 H new ATOM 0 HB2 MET A 41 0.583 16.085 -14.110 1.00 12.11 H new ATOM 0 HB3 MET A 41 -0.805 15.043 -13.872 1.00 12.11 H new ATOM 0 HG2 MET A 41 -2.194 16.795 -13.961 1.00 24.03 H new ATOM 0 HG3 MET A 41 -1.370 17.564 -12.620 1.00 24.03 H new ATOM 0 HE1 MET A 41 0.607 20.364 -14.100 1.00 53.31 H new ATOM 0 HE2 MET A 41 -0.601 19.899 -12.878 1.00 53.31 H new ATOM 0 HE3 MET A 41 0.939 19.014 -12.989 1.00 53.31 H new ATOM 641 N ALA A 42 -1.770 14.338 -11.384 1.00 44.30 N ATOM 642 CA ALA A 42 -2.952 14.017 -10.595 1.00 42.14 C ATOM 643 C ALA A 42 -2.640 14.047 -9.103 1.00 60.32 C ATOM 644 O ALA A 42 -3.514 14.325 -8.282 1.00 21.40 O ATOM 645 CB ALA A 42 -3.501 12.655 -10.995 1.00 4.32 C ATOM 0 H ALA A 42 -1.553 13.659 -12.113 1.00 44.30 H new ATOM 0 HA ALA A 42 -3.710 14.774 -10.797 1.00 42.14 H new ATOM 0 HB1 ALA A 42 -4.384 12.429 -10.397 1.00 4.32 H new ATOM 0 HB2 ALA A 42 -3.771 12.667 -12.051 1.00 4.32 H new ATOM 0 HB3 ALA A 42 -2.742 11.892 -10.824 1.00 4.32 H new ATOM 651 N ASN A 43 -1.390 13.756 -8.758 1.00 2.11 N ATOM 652 CA ASN A 43 -0.963 13.747 -7.364 1.00 12.31 C ATOM 653 C ASN A 43 -0.837 15.169 -6.825 1.00 2.14 C ATOM 654 O ASN A 43 -1.574 15.572 -5.926 1.00 14.32 O ATOM 655 CB ASN A 43 0.373 13.016 -7.222 1.00 60.43 C ATOM 656 CG ASN A 43 0.352 11.644 -7.868 1.00 62.10 C ATOM 657 OD1 ASN A 43 -0.707 11.040 -8.035 1.00 52.44 O ATOM 658 ND2 ASN A 43 1.528 11.145 -8.234 1.00 54.32 N ATOM 0 H ASN A 43 -0.655 13.523 -9.425 1.00 2.11 H new ATOM 0 HA ASN A 43 -1.720 13.222 -6.782 1.00 12.31 H new ATOM 0 HB2 ASN A 43 1.162 13.616 -7.675 1.00 60.43 H new ATOM 0 HB3 ASN A 43 0.617 12.913 -6.165 1.00 60.43 H new ATOM 0 HD21 ASN A 43 1.578 10.226 -8.673 1.00 54.32 H new ATOM 0 HD22 ASN A 43 2.381 11.681 -8.076 1.00 54.32 H new ATOM 665 N VAL A 44 0.103 15.926 -7.383 1.00 32.52 N ATOM 666 CA VAL A 44 0.326 17.303 -6.961 1.00 14.33 C ATOM 667 C VAL A 44 -0.957 18.121 -7.053 1.00 40.11 C ATOM 668 O VAL A 44 -1.295 18.872 -6.138 1.00 52.03 O ATOM 669 CB VAL A 44 1.417 17.983 -7.811 1.00 50.44 C ATOM 670 CG1 VAL A 44 1.646 19.412 -7.344 1.00 12.11 C ATOM 671 CG2 VAL A 44 2.708 17.181 -7.758 1.00 22.53 C ATOM 0 H VAL A 44 0.722 15.608 -8.129 1.00 32.52 H new ATOM 0 HA VAL A 44 0.656 17.265 -5.923 1.00 14.33 H new ATOM 0 HB VAL A 44 1.079 18.017 -8.847 1.00 50.44 H new ATOM 0 HG11 VAL A 44 2.420 19.875 -7.956 1.00 12.11 H new ATOM 0 HG12 VAL A 44 0.720 19.979 -7.439 1.00 12.11 H new ATOM 0 HG13 VAL A 44 1.963 19.408 -6.301 1.00 12.11 H new ATOM 0 HG21 VAL A 44 3.468 17.675 -8.363 1.00 22.53 H new ATOM 0 HG22 VAL A 44 3.053 17.114 -6.726 1.00 22.53 H new ATOM 0 HG23 VAL A 44 2.530 16.178 -8.146 1.00 22.53 H new ATOM 681 N SER A 45 -1.670 17.969 -8.164 1.00 2.51 N ATOM 682 CA SER A 45 -2.916 18.696 -8.379 1.00 11.21 C ATOM 683 C SER A 45 -3.862 18.514 -7.196 1.00 32.44 C ATOM 684 O SER A 45 -4.604 19.427 -6.831 1.00 61.33 O ATOM 685 CB SER A 45 -3.594 18.221 -9.665 1.00 64.31 C ATOM 686 OG SER A 45 -2.834 18.584 -10.806 1.00 72.13 O ATOM 0 H SER A 45 -1.406 17.349 -8.930 1.00 2.51 H new ATOM 0 HA SER A 45 -2.677 19.755 -8.473 1.00 11.21 H new ATOM 0 HB2 SER A 45 -3.718 17.138 -9.636 1.00 64.31 H new ATOM 0 HB3 SER A 45 -4.592 18.654 -9.736 1.00 64.31 H new ATOM 0 HG SER A 45 -3.287 18.268 -11.615 1.00 72.13 H new ATOM 692 N THR A 46 -3.831 17.326 -6.598 1.00 42.20 N ATOM 693 CA THR A 46 -4.684 17.022 -5.457 1.00 43.42 C ATOM 694 C THR A 46 -3.922 17.169 -4.145 1.00 50.34 C ATOM 695 O THR A 46 -4.156 16.425 -3.193 1.00 24.11 O ATOM 696 CB THR A 46 -5.257 15.594 -5.548 1.00 2.34 C ATOM 697 OG1 THR A 46 -4.201 14.659 -5.799 1.00 75.41 O ATOM 698 CG2 THR A 46 -6.298 15.498 -6.653 1.00 25.14 C ATOM 0 H THR A 46 -3.223 16.559 -6.886 1.00 42.20 H new ATOM 0 HA THR A 46 -5.506 17.738 -5.478 1.00 43.42 H new ATOM 0 HB THR A 46 -5.736 15.356 -4.598 1.00 2.34 H new ATOM 0 HG1 THR A 46 -4.006 14.636 -6.759 1.00 75.41 H new ATOM 0 HG21 THR A 46 -6.688 14.481 -6.698 1.00 25.14 H new ATOM 0 HG22 THR A 46 -7.114 16.191 -6.446 1.00 25.14 H new ATOM 0 HG23 THR A 46 -5.839 15.753 -7.608 1.00 25.14 H new ATOM 706 N GLY A 47 -3.009 18.134 -4.101 1.00 44.44 N ATOM 707 CA GLY A 47 -2.226 18.361 -2.901 1.00 15.02 C ATOM 708 C GLY A 47 -1.561 17.096 -2.394 1.00 52.23 C ATOM 709 O GLY A 47 -1.654 16.769 -1.211 1.00 22.33 O ATOM 0 H GLY A 47 -2.798 18.763 -4.876 1.00 44.44 H new ATOM 0 HA2 GLY A 47 -1.463 19.112 -3.106 1.00 15.02 H new ATOM 0 HA3 GLY A 47 -2.871 18.766 -2.121 1.00 15.02 H new ATOM 713 N ARG A 48 -0.890 16.383 -3.292 1.00 62.35 N ATOM 714 CA ARG A 48 -0.209 15.145 -2.931 1.00 11.11 C ATOM 715 C ARG A 48 1.232 15.150 -3.431 1.00 5.44 C ATOM 716 O ARG A 48 1.572 15.880 -4.363 1.00 34.25 O ATOM 717 CB ARG A 48 -0.956 13.940 -3.507 1.00 3.41 C ATOM 718 CG ARG A 48 -1.217 12.841 -2.490 1.00 22.43 C ATOM 719 CD ARG A 48 -2.656 12.863 -2.001 1.00 10.41 C ATOM 720 NE ARG A 48 -2.825 13.725 -0.834 1.00 33.41 N ATOM 721 CZ ARG A 48 -4.000 14.196 -0.432 1.00 1.35 C ATOM 722 NH1 ARG A 48 -5.103 13.892 -1.101 1.00 11.02 N ATOM 723 NH2 ARG A 48 -4.072 14.975 0.640 1.00 72.14 N ATOM 0 H ARG A 48 -0.803 16.641 -4.275 1.00 62.35 H new ATOM 0 HA ARG A 48 -0.197 15.071 -1.844 1.00 11.11 H new ATOM 0 HB2 ARG A 48 -1.908 14.276 -3.918 1.00 3.41 H new ATOM 0 HB3 ARG A 48 -0.379 13.528 -4.335 1.00 3.41 H new ATOM 0 HG2 ARG A 48 -0.999 11.871 -2.937 1.00 22.43 H new ATOM 0 HG3 ARG A 48 -0.542 12.961 -1.643 1.00 22.43 H new ATOM 0 HD2 ARG A 48 -3.306 13.209 -2.804 1.00 10.41 H new ATOM 0 HD3 ARG A 48 -2.969 11.849 -1.751 1.00 10.41 H new ATOM 0 HE ARG A 48 -1.995 13.979 -0.298 1.00 33.41 H new ATOM 0 HH11 ARG A 48 -5.051 13.295 -1.926 1.00 11.02 H new ATOM 0 HH12 ARG A 48 -6.004 14.255 -0.790 1.00 11.02 H new ATOM 0 HH21 ARG A 48 -3.225 15.212 1.156 1.00 72.14 H new ATOM 0 HH22 ARG A 48 -4.975 15.336 0.948 1.00 72.14 H new ATOM 773 N ASP A 52 3.751 10.037 -6.093 1.00 73.22 N ATOM 774 CA ASP A 52 2.616 9.318 -5.522 1.00 4.01 C ATOM 775 C ASP A 52 2.202 8.156 -6.420 1.00 11.53 C ATOM 776 O ASP A 52 1.814 8.357 -7.572 1.00 53.41 O ATOM 777 CB ASP A 52 1.435 10.267 -5.318 1.00 22.03 C ATOM 778 CG ASP A 52 0.918 10.249 -3.892 1.00 23.35 C ATOM 779 OD1 ASP A 52 1.610 10.791 -3.004 1.00 33.23 O ATOM 780 OD2 ASP A 52 -0.177 9.695 -3.665 1.00 73.32 O ATOM 0 HA ASP A 52 2.920 8.916 -4.555 1.00 4.01 H new ATOM 0 HB2 ASP A 52 1.738 11.281 -5.579 1.00 22.03 H new ATOM 0 HB3 ASP A 52 0.629 9.991 -5.997 1.00 22.03 H new ATOM 785 N ILE A 53 2.288 6.943 -5.887 1.00 64.43 N ATOM 786 CA ILE A 53 1.923 5.750 -6.640 1.00 41.01 C ATOM 787 C ILE A 53 0.876 4.928 -5.895 1.00 2.24 C ATOM 788 O ILE A 53 1.177 3.908 -5.275 1.00 62.22 O ATOM 789 CB ILE A 53 3.150 4.863 -6.920 1.00 70.02 C ATOM 790 CG1 ILE A 53 4.200 5.643 -7.714 1.00 60.23 C ATOM 791 CG2 ILE A 53 2.735 3.607 -7.672 1.00 44.42 C ATOM 792 CD1 ILE A 53 3.691 6.165 -9.039 1.00 22.01 C ATOM 0 H ILE A 53 2.607 6.760 -4.936 1.00 64.43 H new ATOM 0 HA ILE A 53 1.507 6.091 -7.588 1.00 41.01 H new ATOM 0 HB ILE A 53 3.589 4.565 -5.968 1.00 70.02 H new ATOM 0 HG12 ILE A 53 4.549 6.482 -7.112 1.00 60.23 H new ATOM 0 HG13 ILE A 53 5.061 4.999 -7.893 1.00 60.23 H new ATOM 0 HG21 ILE A 53 3.613 2.990 -7.863 1.00 44.42 H new ATOM 0 HG22 ILE A 53 2.019 3.044 -7.073 1.00 44.42 H new ATOM 0 HG23 ILE A 53 2.275 3.886 -8.620 1.00 44.42 H new ATOM 0 HD11 ILE A 53 4.488 6.707 -9.547 1.00 22.01 H new ATOM 0 HD12 ILE A 53 3.368 5.329 -9.660 1.00 22.01 H new ATOM 0 HD13 ILE A 53 2.849 6.835 -8.867 1.00 22.01 H new ATOM 804 N PRO A 54 -0.386 5.382 -5.956 1.00 21.24 N ATOM 805 CA PRO A 54 -1.504 4.702 -5.295 1.00 3.34 C ATOM 806 C PRO A 54 -1.846 3.372 -5.955 1.00 41.21 C ATOM 807 O PRO A 54 -2.465 3.337 -7.019 1.00 33.14 O ATOM 808 CB PRO A 54 -2.661 5.692 -5.452 1.00 50.13 C ATOM 809 CG PRO A 54 -2.317 6.490 -6.662 1.00 62.02 C ATOM 810 CD PRO A 54 -0.817 6.591 -6.677 1.00 21.15 C ATOM 0 HA PRO A 54 -1.275 4.452 -4.259 1.00 3.34 H new ATOM 0 HB2 PRO A 54 -3.611 5.173 -5.577 1.00 50.13 H new ATOM 0 HB3 PRO A 54 -2.759 6.329 -4.573 1.00 50.13 H new ATOM 0 HG2 PRO A 54 -2.685 6.006 -7.567 1.00 62.02 H new ATOM 0 HG3 PRO A 54 -2.775 7.478 -6.621 1.00 62.02 H new ATOM 0 HD2 PRO A 54 -0.426 6.613 -7.694 1.00 21.15 H new ATOM 0 HD3 PRO A 54 -0.470 7.499 -6.183 1.00 21.15 H new ATOM 818 N GLU A 55 -1.439 2.278 -5.318 1.00 44.30 N ATOM 819 CA GLU A 55 -1.703 0.945 -5.845 1.00 45.44 C ATOM 820 C GLU A 55 -2.985 0.368 -5.250 1.00 2.32 C ATOM 821 O GLU A 55 -3.049 -0.814 -4.909 1.00 24.43 O ATOM 822 CB GLU A 55 -0.526 0.013 -5.550 1.00 52.22 C ATOM 823 CG GLU A 55 -0.413 -1.151 -6.521 1.00 13.24 C ATOM 824 CD GLU A 55 -0.315 -2.490 -5.818 1.00 32.34 C ATOM 825 OE1 GLU A 55 -1.217 -3.330 -6.015 1.00 73.31 O ATOM 826 OE2 GLU A 55 0.664 -2.698 -5.070 1.00 53.54 O ATOM 0 H GLU A 55 -0.925 2.289 -4.437 1.00 44.30 H new ATOM 0 HA GLU A 55 -1.829 1.028 -6.924 1.00 45.44 H new ATOM 0 HB2 GLU A 55 0.399 0.589 -5.578 1.00 52.22 H new ATOM 0 HB3 GLU A 55 -0.628 -0.378 -4.538 1.00 52.22 H new ATOM 0 HG2 GLU A 55 -1.280 -1.154 -7.181 1.00 13.24 H new ATOM 0 HG3 GLU A 55 0.466 -1.010 -7.150 1.00 13.24 H new ATOM 833 N THR A 56 -4.005 1.212 -5.127 1.00 31.23 N ATOM 834 CA THR A 56 -5.284 0.788 -4.571 1.00 31.12 C ATOM 835 C THR A 56 -6.443 1.513 -5.245 1.00 73.44 C ATOM 836 O THR A 56 -6.443 2.740 -5.354 1.00 72.34 O ATOM 837 CB THR A 56 -5.348 1.042 -3.053 1.00 73.14 C ATOM 838 OG1 THR A 56 -5.495 2.442 -2.795 1.00 2.43 O ATOM 839 CG2 THR A 56 -4.095 0.522 -2.364 1.00 2.45 C ATOM 0 H THR A 56 -3.970 2.193 -5.405 1.00 31.23 H new ATOM 0 HA THR A 56 -5.371 -0.283 -4.757 1.00 31.12 H new ATOM 0 HB THR A 56 -6.211 0.508 -2.654 1.00 73.14 H new ATOM 0 HG1 THR A 56 -5.212 2.637 -1.877 1.00 2.43 H new ATOM 0 HG21 THR A 56 -4.163 0.713 -1.293 1.00 2.45 H new ATOM 0 HG22 THR A 56 -4.003 -0.550 -2.537 1.00 2.45 H new ATOM 0 HG23 THR A 56 -3.220 1.031 -2.768 1.00 2.45 H new ATOM 847 N LEU A 57 -7.431 0.748 -5.696 1.00 72.53 N ATOM 848 CA LEU A 57 -8.598 1.317 -6.359 1.00 52.44 C ATOM 849 C LEU A 57 -9.219 2.425 -5.514 1.00 20.35 C ATOM 850 O LEU A 57 -9.807 3.368 -6.044 1.00 54.24 O ATOM 851 CB LEU A 57 -9.636 0.227 -6.632 1.00 52.41 C ATOM 852 CG LEU A 57 -10.798 0.620 -7.546 1.00 11.41 C ATOM 853 CD1 LEU A 57 -10.486 0.259 -8.990 1.00 43.14 C ATOM 854 CD2 LEU A 57 -12.086 -0.052 -7.093 1.00 32.24 C ATOM 0 H LEU A 57 -7.447 -0.269 -5.614 1.00 72.53 H new ATOM 0 HA LEU A 57 -8.273 1.747 -7.306 1.00 52.44 H new ATOM 0 HB2 LEU A 57 -9.126 -0.630 -7.073 1.00 52.41 H new ATOM 0 HB3 LEU A 57 -10.046 -0.103 -5.678 1.00 52.41 H new ATOM 0 HG LEU A 57 -10.935 1.700 -7.483 1.00 11.41 H new ATOM 0 HD11 LEU A 57 -11.324 0.546 -9.626 1.00 43.14 H new ATOM 0 HD12 LEU A 57 -9.589 0.788 -9.312 1.00 43.14 H new ATOM 0 HD13 LEU A 57 -10.322 -0.816 -9.069 1.00 43.14 H new ATOM 0 HD21 LEU A 57 -12.901 0.240 -7.755 1.00 32.24 H new ATOM 0 HD22 LEU A 57 -11.962 -1.134 -7.125 1.00 32.24 H new ATOM 0 HD23 LEU A 57 -12.319 0.257 -6.074 1.00 32.24 H new ATOM 866 N ASP A 58 -9.079 2.307 -4.198 1.00 41.55 N ATOM 867 CA ASP A 58 -9.622 3.301 -3.280 1.00 54.42 C ATOM 868 C ASP A 58 -8.912 4.640 -3.445 1.00 21.51 C ATOM 869 O ASP A 58 -9.551 5.671 -3.651 1.00 0.52 O ATOM 870 CB ASP A 58 -9.493 2.816 -1.835 1.00 33.00 C ATOM 871 CG ASP A 58 -10.775 2.997 -1.046 1.00 71.03 C ATOM 872 OD1 ASP A 58 -11.324 4.118 -1.056 1.00 51.21 O ATOM 873 OD2 ASP A 58 -11.229 2.017 -0.420 1.00 12.14 O ATOM 0 H ASP A 58 -8.594 1.533 -3.743 1.00 41.55 H new ATOM 0 HA ASP A 58 -10.677 3.439 -3.516 1.00 54.42 H new ATOM 0 HB2 ASP A 58 -9.214 1.762 -1.832 1.00 33.00 H new ATOM 0 HB3 ASP A 58 -8.687 3.360 -1.343 1.00 33.00 H new ATOM 878 N GLN A 59 -7.586 4.616 -3.353 1.00 14.30 N ATOM 879 CA GLN A 59 -6.789 5.829 -3.491 1.00 31.40 C ATOM 880 C GLN A 59 -7.067 6.515 -4.824 1.00 74.04 C ATOM 881 O GLN A 59 -7.224 7.735 -4.886 1.00 32.31 O ATOM 882 CB GLN A 59 -5.299 5.502 -3.373 1.00 74.52 C ATOM 883 CG GLN A 59 -4.770 5.578 -1.950 1.00 74.44 C ATOM 884 CD GLN A 59 -3.834 4.433 -1.613 1.00 61.12 C ATOM 885 OE1 GLN A 59 -4.180 3.539 -0.841 1.00 12.23 O ATOM 886 NE2 GLN A 59 -2.640 4.456 -2.194 1.00 62.12 N ATOM 0 H GLN A 59 -7.042 3.770 -3.184 1.00 14.30 H new ATOM 0 HA GLN A 59 -7.069 6.510 -2.688 1.00 31.40 H new ATOM 0 HB2 GLN A 59 -5.124 4.500 -3.764 1.00 74.52 H new ATOM 0 HB3 GLN A 59 -4.733 6.192 -3.999 1.00 74.52 H new ATOM 0 HG2 GLN A 59 -4.246 6.524 -1.811 1.00 74.44 H new ATOM 0 HG3 GLN A 59 -5.609 5.573 -1.254 1.00 74.44 H new ATOM 0 HE21 GLN A 59 -2.396 5.217 -2.828 1.00 62.12 H new ATOM 0 HE22 GLN A 59 -1.967 3.712 -2.007 1.00 62.12 H new ATOM 895 N LEU A 60 -7.127 5.723 -5.889 1.00 2.20 N ATOM 896 CA LEU A 60 -7.386 6.253 -7.223 1.00 11.42 C ATOM 897 C LEU A 60 -8.778 6.870 -7.303 1.00 53.24 C ATOM 898 O LEU A 60 -8.939 8.014 -7.730 1.00 61.42 O ATOM 899 CB LEU A 60 -7.244 5.148 -8.270 1.00 75.24 C ATOM 900 CG LEU A 60 -5.823 4.647 -8.530 1.00 53.40 C ATOM 901 CD1 LEU A 60 -5.766 3.131 -8.434 1.00 61.43 C ATOM 902 CD2 LEU A 60 -5.333 5.116 -9.892 1.00 50.24 C ATOM 0 H LEU A 60 -7.000 4.712 -5.855 1.00 2.20 H new ATOM 0 HA LEU A 60 -6.651 7.032 -7.426 1.00 11.42 H new ATOM 0 HB2 LEU A 60 -7.855 4.301 -7.960 1.00 75.24 H new ATOM 0 HB3 LEU A 60 -7.657 5.512 -9.211 1.00 75.24 H new ATOM 0 HG LEU A 60 -5.166 5.064 -7.767 1.00 53.40 H new ATOM 0 HD11 LEU A 60 -4.747 2.793 -8.622 1.00 61.43 H new ATOM 0 HD12 LEU A 60 -6.074 2.818 -7.437 1.00 61.43 H new ATOM 0 HD13 LEU A 60 -6.436 2.694 -9.175 1.00 61.43 H new ATOM 0 HD21 LEU A 60 -4.320 4.750 -10.060 1.00 50.24 H new ATOM 0 HD22 LEU A 60 -5.992 4.729 -10.669 1.00 50.24 H new ATOM 0 HD23 LEU A 60 -5.335 6.206 -9.924 1.00 50.24 H new ATOM 914 N ARG A 61 -9.784 6.105 -6.887 1.00 24.21 N ATOM 915 CA ARG A 61 -11.162 6.576 -6.911 1.00 14.51 C ATOM 916 C ARG A 61 -11.301 7.893 -6.153 1.00 32.33 C ATOM 917 O ARG A 61 -12.179 8.704 -6.450 1.00 32.33 O ATOM 918 CB ARG A 61 -12.094 5.526 -6.303 1.00 20.33 C ATOM 919 CG ARG A 61 -13.560 5.927 -6.320 1.00 32.55 C ATOM 920 CD ARG A 61 -13.973 6.579 -5.009 1.00 10.45 C ATOM 921 NE ARG A 61 -14.549 5.615 -4.076 1.00 53.52 N ATOM 922 CZ ARG A 61 -15.788 5.146 -4.176 1.00 35.31 C ATOM 923 NH1 ARG A 61 -16.576 5.550 -5.163 1.00 12.44 N ATOM 924 NH2 ARG A 61 -16.241 4.269 -3.288 1.00 0.35 N ATOM 0 H ARG A 61 -9.669 5.157 -6.530 1.00 24.21 H new ATOM 0 HA ARG A 61 -11.443 6.743 -7.951 1.00 14.51 H new ATOM 0 HB2 ARG A 61 -11.976 4.589 -6.848 1.00 20.33 H new ATOM 0 HB3 ARG A 61 -11.790 5.336 -5.274 1.00 20.33 H new ATOM 0 HG2 ARG A 61 -13.740 6.617 -7.144 1.00 32.55 H new ATOM 0 HG3 ARG A 61 -14.177 5.047 -6.501 1.00 32.55 H new ATOM 0 HD2 ARG A 61 -13.105 7.053 -4.551 1.00 10.45 H new ATOM 0 HD3 ARG A 61 -14.698 7.368 -5.209 1.00 10.45 H new ATOM 0 HE ARG A 61 -13.969 5.284 -3.305 1.00 53.52 H new ATOM 0 HH11 ARG A 61 -16.231 6.223 -5.848 1.00 12.44 H new ATOM 0 HH12 ARG A 61 -17.527 5.188 -5.237 1.00 12.44 H new ATOM 0 HH21 ARG A 61 -15.638 3.955 -2.528 1.00 0.35 H new ATOM 0 HH22 ARG A 61 -17.192 3.910 -3.366 1.00 0.35 H new ATOM 938 N LEU A 62 -10.429 8.099 -5.172 1.00 24.44 N ATOM 939 CA LEU A 62 -10.452 9.318 -4.370 1.00 72.43 C ATOM 940 C LEU A 62 -9.936 10.508 -5.172 1.00 51.34 C ATOM 941 O LEU A 62 -10.654 11.485 -5.383 1.00 40.31 O ATOM 942 CB LEU A 62 -9.609 9.136 -3.106 1.00 51.42 C ATOM 943 CG LEU A 62 -10.326 9.389 -1.780 1.00 75.32 C ATOM 944 CD1 LEU A 62 -10.920 10.788 -1.751 1.00 70.20 C ATOM 945 CD2 LEU A 62 -11.409 8.343 -1.553 1.00 35.44 C ATOM 0 H LEU A 62 -9.697 7.438 -4.913 1.00 24.44 H new ATOM 0 HA LEU A 62 -11.485 9.517 -4.085 1.00 72.43 H new ATOM 0 HB2 LEU A 62 -9.219 8.118 -3.097 1.00 51.42 H new ATOM 0 HB3 LEU A 62 -8.751 9.806 -3.166 1.00 51.42 H new ATOM 0 HG LEU A 62 -9.596 9.311 -0.974 1.00 75.32 H new ATOM 0 HD11 LEU A 62 -11.426 10.949 -0.799 1.00 70.20 H new ATOM 0 HD12 LEU A 62 -10.124 11.524 -1.868 1.00 70.20 H new ATOM 0 HD13 LEU A 62 -11.636 10.896 -2.565 1.00 70.20 H new ATOM 0 HD21 LEU A 62 -11.910 8.538 -0.605 1.00 35.44 H new ATOM 0 HD22 LEU A 62 -12.136 8.390 -2.364 1.00 35.44 H new ATOM 0 HD23 LEU A 62 -10.957 7.351 -1.528 1.00 35.44 H new ATOM 957 N VAL A 63 -8.688 10.418 -5.620 1.00 70.45 N ATOM 958 CA VAL A 63 -8.076 11.485 -6.402 1.00 14.33 C ATOM 959 C VAL A 63 -8.910 11.808 -7.637 1.00 55.23 C ATOM 960 O VAL A 63 -9.013 12.966 -8.044 1.00 34.21 O ATOM 961 CB VAL A 63 -6.649 11.112 -6.843 1.00 52.03 C ATOM 962 CG1 VAL A 63 -5.708 11.094 -5.648 1.00 50.42 C ATOM 963 CG2 VAL A 63 -6.647 9.766 -7.554 1.00 4.14 C ATOM 0 H VAL A 63 -8.080 9.616 -5.454 1.00 70.45 H new ATOM 0 HA VAL A 63 -8.030 12.363 -5.757 1.00 14.33 H new ATOM 0 HB VAL A 63 -6.294 11.868 -7.543 1.00 52.03 H new ATOM 0 HG11 VAL A 63 -4.704 10.828 -5.979 1.00 50.42 H new ATOM 0 HG12 VAL A 63 -5.688 12.081 -5.186 1.00 50.42 H new ATOM 0 HG13 VAL A 63 -6.056 10.360 -4.922 1.00 50.42 H new ATOM 0 HG21 VAL A 63 -5.631 9.517 -7.859 1.00 4.14 H new ATOM 0 HG22 VAL A 63 -7.021 8.997 -6.878 1.00 4.14 H new ATOM 0 HG23 VAL A 63 -7.288 9.819 -8.434 1.00 4.14 H new ATOM 973 N ILE A 64 -9.505 10.778 -8.228 1.00 72.12 N ATOM 974 CA ILE A 64 -10.331 10.952 -9.416 1.00 40.03 C ATOM 975 C ILE A 64 -11.586 11.759 -9.100 1.00 33.32 C ATOM 976 O ILE A 64 -11.938 12.689 -9.825 1.00 4.02 O ATOM 977 CB ILE A 64 -10.745 9.596 -10.018 1.00 53.21 C ATOM 978 CG1 ILE A 64 -9.508 8.809 -10.455 1.00 73.11 C ATOM 979 CG2 ILE A 64 -11.690 9.804 -11.192 1.00 25.01 C ATOM 980 CD1 ILE A 64 -9.718 7.311 -10.468 1.00 73.35 C ATOM 0 H ILE A 64 -9.431 9.814 -7.904 1.00 72.12 H new ATOM 0 HA ILE A 64 -9.727 11.494 -10.143 1.00 40.03 H new ATOM 0 HB ILE A 64 -11.268 9.020 -9.254 1.00 53.21 H new ATOM 0 HG12 ILE A 64 -9.214 9.135 -11.453 1.00 73.11 H new ATOM 0 HG13 ILE A 64 -8.681 9.046 -9.785 1.00 73.11 H new ATOM 0 HG21 ILE A 64 -11.974 8.837 -11.607 1.00 25.01 H new ATOM 0 HG22 ILE A 64 -12.583 10.329 -10.852 1.00 25.01 H new ATOM 0 HG23 ILE A 64 -11.192 10.396 -11.960 1.00 25.01 H new ATOM 0 HD11 ILE A 64 -8.800 6.818 -10.787 1.00 73.35 H new ATOM 0 HD12 ILE A 64 -9.983 6.972 -9.466 1.00 73.35 H new ATOM 0 HD13 ILE A 64 -10.523 7.062 -11.160 1.00 73.35 H new ATOM 992 N CYS A 65 -12.256 11.397 -8.010 1.00 60.23 N ATOM 993 CA CYS A 65 -13.472 12.089 -7.596 1.00 70.45 C ATOM 994 C CYS A 65 -13.202 13.570 -7.362 1.00 22.35 C ATOM 995 O CYS A 65 -13.921 14.431 -7.869 1.00 70.32 O ATOM 996 CB CYS A 65 -14.036 11.452 -6.324 1.00 0.13 C ATOM 997 SG CYS A 65 -15.741 10.871 -6.483 1.00 11.03 S ATOM 0 H CYS A 65 -11.978 10.630 -7.398 1.00 60.23 H new ATOM 0 HA CYS A 65 -14.205 11.996 -8.397 1.00 70.45 H new ATOM 0 HB2 CYS A 65 -13.402 10.612 -6.039 1.00 0.13 H new ATOM 0 HB3 CYS A 65 -13.985 12.179 -5.513 1.00 0.13 H new ATOM 0 HG CYS A 65 -16.128 10.347 -5.358 1.00 11.03 H new ATOM 1003 N ASP A 66 -12.162 13.862 -6.588 1.00 22.21 N ATOM 1004 CA ASP A 66 -11.796 15.241 -6.285 1.00 73.12 C ATOM 1005 C ASP A 66 -11.318 15.964 -7.539 1.00 4.50 C ATOM 1006 O ASP A 66 -11.850 17.013 -7.905 1.00 13.11 O ATOM 1007 CB ASP A 66 -10.706 15.278 -5.213 1.00 33.32 C ATOM 1008 CG ASP A 66 -10.431 16.684 -4.716 1.00 32.31 C ATOM 1009 OD1 ASP A 66 -9.346 17.221 -5.022 1.00 64.22 O ATOM 1010 OD2 ASP A 66 -11.301 17.247 -4.020 1.00 31.12 O ATOM 0 H ASP A 66 -11.557 13.162 -6.159 1.00 22.21 H new ATOM 0 HA ASP A 66 -12.682 15.752 -5.909 1.00 73.12 H new ATOM 0 HB2 ASP A 66 -11.005 14.651 -4.373 1.00 33.32 H new ATOM 0 HB3 ASP A 66 -9.788 14.853 -5.618 1.00 33.32 H new ATOM 1015 N LEU A 67 -10.311 15.398 -8.195 1.00 44.53 N ATOM 1016 CA LEU A 67 -9.760 15.990 -9.410 1.00 61.23 C ATOM 1017 C LEU A 67 -10.863 16.286 -10.421 1.00 71.15 C ATOM 1018 O LEU A 67 -10.826 17.302 -11.114 1.00 35.22 O ATOM 1019 CB LEU A 67 -8.720 15.054 -10.030 1.00 54.50 C ATOM 1020 CG LEU A 67 -7.951 15.607 -11.230 1.00 1.45 C ATOM 1021 CD1 LEU A 67 -7.248 16.905 -10.861 1.00 73.14 C ATOM 1022 CD2 LEU A 67 -6.948 14.582 -11.739 1.00 32.21 C ATOM 0 H LEU A 67 -9.859 14.530 -7.906 1.00 44.53 H new ATOM 0 HA LEU A 67 -9.279 16.930 -9.141 1.00 61.23 H new ATOM 0 HB2 LEU A 67 -8.001 14.780 -9.258 1.00 54.50 H new ATOM 0 HB3 LEU A 67 -9.223 14.137 -10.337 1.00 54.50 H new ATOM 0 HG LEU A 67 -8.663 15.817 -12.028 1.00 1.45 H new ATOM 0 HD11 LEU A 67 -6.706 17.284 -11.727 1.00 73.14 H new ATOM 0 HD12 LEU A 67 -7.987 17.642 -10.544 1.00 73.14 H new ATOM 0 HD13 LEU A 67 -6.547 16.721 -10.047 1.00 73.14 H new ATOM 0 HD21 LEU A 67 -6.410 14.993 -12.593 1.00 32.21 H new ATOM 0 HD22 LEU A 67 -6.240 14.341 -10.946 1.00 32.21 H new ATOM 0 HD23 LEU A 67 -7.475 13.677 -12.043 1.00 32.21 H new ATOM 1034 N GLN A 68 -11.842 15.391 -10.498 1.00 55.32 N ATOM 1035 CA GLN A 68 -12.957 15.557 -11.424 1.00 50.00 C ATOM 1036 C GLN A 68 -13.773 16.797 -11.075 1.00 2.41 C ATOM 1037 O GLN A 68 -14.051 17.631 -11.937 1.00 62.35 O ATOM 1038 CB GLN A 68 -13.856 14.319 -11.402 1.00 22.51 C ATOM 1039 CG GLN A 68 -14.946 14.339 -12.461 1.00 61.21 C ATOM 1040 CD GLN A 68 -16.024 13.304 -12.208 1.00 63.04 C ATOM 1041 OE1 GLN A 68 -16.291 12.935 -11.064 1.00 30.14 O ATOM 1042 NE2 GLN A 68 -16.650 12.828 -13.279 1.00 31.34 N ATOM 0 H GLN A 68 -11.886 14.544 -9.931 1.00 55.32 H new ATOM 0 HA GLN A 68 -12.548 15.682 -12.426 1.00 50.00 H new ATOM 0 HB2 GLN A 68 -13.240 13.431 -11.543 1.00 22.51 H new ATOM 0 HB3 GLN A 68 -14.318 14.233 -10.419 1.00 22.51 H new ATOM 0 HG2 GLN A 68 -15.399 15.330 -12.492 1.00 61.21 H new ATOM 0 HG3 GLN A 68 -14.500 14.162 -13.440 1.00 61.21 H new ATOM 0 HE21 GLN A 68 -16.396 13.162 -14.209 1.00 31.34 H new ATOM 0 HE22 GLN A 68 -17.384 12.128 -13.172 1.00 31.34 H new ATOM 1051 N GLU A 69 -14.154 16.913 -9.807 1.00 63.32 N ATOM 1052 CA GLU A 69 -14.940 18.052 -9.347 1.00 35.03 C ATOM 1053 C GLU A 69 -14.272 19.367 -9.738 1.00 41.31 C ATOM 1054 O GLU A 69 -14.940 20.315 -10.151 1.00 50.11 O ATOM 1055 CB GLU A 69 -15.124 17.993 -7.829 1.00 62.11 C ATOM 1056 CG GLU A 69 -15.913 19.163 -7.265 1.00 64.23 C ATOM 1057 CD GLU A 69 -16.620 18.818 -5.969 1.00 72.13 C ATOM 1058 OE1 GLU A 69 -17.532 19.575 -5.573 1.00 63.20 O ATOM 1059 OE2 GLU A 69 -16.264 17.793 -5.352 1.00 33.05 O ATOM 0 H GLU A 69 -13.931 16.233 -9.080 1.00 63.32 H new ATOM 0 HA GLU A 69 -15.918 18.004 -9.827 1.00 35.03 H new ATOM 0 HB2 GLU A 69 -15.632 17.064 -7.569 1.00 62.11 H new ATOM 0 HB3 GLU A 69 -14.144 17.964 -7.354 1.00 62.11 H new ATOM 0 HG2 GLU A 69 -15.239 20.003 -7.095 1.00 64.23 H new ATOM 0 HG3 GLU A 69 -16.649 19.489 -8.000 1.00 64.23 H new ATOM 1066 N ARG A 70 -12.951 19.416 -9.604 1.00 11.03 N ATOM 1067 CA ARG A 70 -12.193 20.614 -9.942 1.00 4.13 C ATOM 1068 C ARG A 70 -12.224 20.872 -11.445 1.00 43.34 C ATOM 1069 O ARG A 70 -12.273 22.020 -11.887 1.00 50.23 O ATOM 1070 CB ARG A 70 -10.744 20.478 -9.467 1.00 51.42 C ATOM 1071 CG ARG A 70 -10.613 20.253 -7.970 1.00 12.14 C ATOM 1072 CD ARG A 70 -9.268 20.737 -7.450 1.00 42.34 C ATOM 1073 NE ARG A 70 -9.380 22.009 -6.743 1.00 41.11 N ATOM 1074 CZ ARG A 70 -8.368 22.586 -6.105 1.00 14.43 C ATOM 1075 NH1 ARG A 70 -7.175 22.008 -6.085 1.00 41.23 N ATOM 1076 NH2 ARG A 70 -8.548 23.745 -5.484 1.00 32.45 N ATOM 0 H ARG A 70 -12.383 18.640 -9.264 1.00 11.03 H new ATOM 0 HA ARG A 70 -12.657 21.461 -9.436 1.00 4.13 H new ATOM 0 HB2 ARG A 70 -10.274 19.647 -9.993 1.00 51.42 H new ATOM 0 HB3 ARG A 70 -10.195 21.379 -9.740 1.00 51.42 H new ATOM 0 HG2 ARG A 70 -11.415 20.777 -7.451 1.00 12.14 H new ATOM 0 HG3 ARG A 70 -10.730 19.192 -7.749 1.00 12.14 H new ATOM 0 HD2 ARG A 70 -8.847 19.987 -6.781 1.00 42.34 H new ATOM 0 HD3 ARG A 70 -8.575 20.846 -8.284 1.00 42.34 H new ATOM 0 HE ARG A 70 -10.285 22.480 -6.739 1.00 41.11 H new ATOM 0 HH11 ARG A 70 -7.032 21.117 -6.561 1.00 41.23 H new ATOM 0 HH12 ARG A 70 -6.400 22.454 -5.594 1.00 41.23 H new ATOM 0 HH21 ARG A 70 -9.464 24.193 -5.496 1.00 32.45 H new ATOM 0 HH22 ARG A 70 -7.770 24.187 -4.994 1.00 32.45 H new ATOM 1090 N ARG A 71 -12.195 19.797 -12.226 1.00 75.34 N ATOM 1091 CA ARG A 71 -12.219 19.906 -13.679 1.00 13.42 C ATOM 1092 C ARG A 71 -13.496 20.595 -14.152 1.00 54.14 C ATOM 1093 O ARG A 71 -13.461 21.448 -15.038 1.00 51.10 O ATOM 1094 CB ARG A 71 -12.107 18.521 -14.319 1.00 11.34 C ATOM 1095 CG ARG A 71 -11.901 18.560 -15.824 1.00 63.20 C ATOM 1096 CD ARG A 71 -13.221 18.449 -16.570 1.00 1.35 C ATOM 1097 NE ARG A 71 -13.486 17.084 -17.015 1.00 54.10 N ATOM 1098 CZ ARG A 71 -14.582 16.725 -17.674 1.00 14.24 C ATOM 1099 NH1 ARG A 71 -15.511 17.626 -17.964 1.00 25.10 N ATOM 1100 NH2 ARG A 71 -14.751 15.463 -18.045 1.00 74.32 N ATOM 0 H ARG A 71 -12.155 18.840 -11.876 1.00 75.34 H new ATOM 0 HA ARG A 71 -11.365 20.510 -13.986 1.00 13.42 H new ATOM 0 HB2 ARG A 71 -11.276 17.985 -13.861 1.00 11.34 H new ATOM 0 HB3 ARG A 71 -13.012 17.954 -14.099 1.00 11.34 H new ATOM 0 HG2 ARG A 71 -11.403 19.489 -16.100 1.00 63.20 H new ATOM 0 HG3 ARG A 71 -11.243 17.744 -16.123 1.00 63.20 H new ATOM 0 HD2 ARG A 71 -14.032 18.783 -15.923 1.00 1.35 H new ATOM 0 HD3 ARG A 71 -13.207 19.115 -17.433 1.00 1.35 H new ATOM 0 HE ARG A 71 -12.791 16.366 -16.808 1.00 54.10 H new ATOM 0 HH11 ARG A 71 -15.385 18.598 -17.681 1.00 25.10 H new ATOM 0 HH12 ARG A 71 -16.351 17.347 -18.470 1.00 25.10 H new ATOM 0 HH21 ARG A 71 -14.039 14.767 -17.824 1.00 74.32 H new ATOM 0 HH22 ARG A 71 -15.593 15.189 -18.551 1.00 74.32 H new ATOM 1114 N GLU A 72 -14.622 20.218 -13.554 1.00 43.13 N ATOM 1115 CA GLU A 72 -15.910 20.798 -13.916 1.00 32.00 C ATOM 1116 C GLU A 72 -15.967 22.275 -13.536 1.00 43.32 C ATOM 1117 O GLU A 72 -16.243 23.133 -14.374 1.00 22.12 O ATOM 1118 CB GLU A 72 -17.047 20.039 -13.228 1.00 52.13 C ATOM 1119 CG GLU A 72 -18.241 19.781 -14.132 1.00 4.42 C ATOM 1120 CD GLU A 72 -19.512 20.428 -13.618 1.00 0.30 C ATOM 1121 OE1 GLU A 72 -19.757 21.606 -13.958 1.00 32.03 O ATOM 1122 OE2 GLU A 72 -20.262 19.759 -12.878 1.00 63.21 O ATOM 0 H GLU A 72 -14.668 19.514 -12.817 1.00 43.13 H new ATOM 0 HA GLU A 72 -16.028 20.713 -14.996 1.00 32.00 H new ATOM 0 HB2 GLU A 72 -16.667 19.085 -12.862 1.00 52.13 H new ATOM 0 HB3 GLU A 72 -17.377 20.606 -12.358 1.00 52.13 H new ATOM 0 HG2 GLU A 72 -18.024 20.159 -15.131 1.00 4.42 H new ATOM 0 HG3 GLU A 72 -18.397 18.706 -14.224 1.00 4.42 H new ATOM 1129 N LYS A 73 -15.704 22.563 -12.265 1.00 43.52 N ATOM 1130 CA LYS A 73 -15.724 23.935 -11.773 1.00 52.21 C ATOM 1131 C LYS A 73 -14.701 24.794 -12.511 1.00 32.22 C ATOM 1132 O LYS A 73 -14.853 26.012 -12.608 1.00 33.13 O ATOM 1133 CB LYS A 73 -15.439 23.963 -10.269 1.00 50.13 C ATOM 1134 CG LYS A 73 -16.504 24.686 -9.462 1.00 22.42 C ATOM 1135 CD LYS A 73 -16.524 24.214 -8.018 1.00 30.34 C ATOM 1136 CE LYS A 73 -17.263 25.195 -7.121 1.00 40.34 C ATOM 1137 NZ LYS A 73 -18.225 24.505 -6.218 1.00 53.02 N ATOM 0 H LYS A 73 -15.475 21.865 -11.558 1.00 43.52 H new ATOM 0 HA LYS A 73 -16.717 24.346 -11.957 1.00 52.21 H new ATOM 0 HB2 LYS A 73 -15.352 22.939 -9.905 1.00 50.13 H new ATOM 0 HB3 LYS A 73 -14.476 24.445 -10.099 1.00 50.13 H new ATOM 0 HG2 LYS A 73 -16.319 25.760 -9.492 1.00 22.42 H new ATOM 0 HG3 LYS A 73 -17.481 24.518 -9.914 1.00 22.42 H new ATOM 0 HD2 LYS A 73 -17.002 23.236 -7.960 1.00 30.34 H new ATOM 0 HD3 LYS A 73 -15.502 24.091 -7.660 1.00 30.34 H new ATOM 0 HE2 LYS A 73 -16.543 25.755 -6.525 1.00 40.34 H new ATOM 0 HE3 LYS A 73 -17.798 25.918 -7.737 1.00 40.34 H new ATOM 0 HZ1 LYS A 73 -18.708 25.208 -5.623 1.00 53.02 H new ATOM 0 HZ2 LYS A 73 -18.928 23.991 -6.787 1.00 53.02 H new ATOM 0 HZ3 LYS A 73 -17.712 23.833 -5.612 1.00 53.02 H new ATOM 1151 N PHE A 74 -13.661 24.151 -13.031 1.00 12.21 N ATOM 1152 CA PHE A 74 -12.614 24.856 -13.760 1.00 63.12 C ATOM 1153 C PHE A 74 -13.005 25.050 -15.222 1.00 63.34 C ATOM 1154 O PHE A 74 -12.540 25.976 -15.883 1.00 5.43 O ATOM 1155 CB PHE A 74 -11.294 24.085 -13.673 1.00 34.15 C ATOM 1156 CG PHE A 74 -10.183 24.705 -14.472 1.00 54.23 C ATOM 1157 CD1 PHE A 74 -9.304 25.599 -13.885 1.00 33.40 C ATOM 1158 CD2 PHE A 74 -10.020 24.392 -15.812 1.00 13.42 C ATOM 1159 CE1 PHE A 74 -8.281 26.170 -14.617 1.00 1.43 C ATOM 1160 CE2 PHE A 74 -8.999 24.960 -16.550 1.00 1.51 C ATOM 1161 CZ PHE A 74 -8.129 25.851 -15.952 1.00 54.40 C ATOM 0 H PHE A 74 -13.521 23.143 -12.961 1.00 12.21 H new ATOM 0 HA PHE A 74 -12.486 25.837 -13.302 1.00 63.12 H new ATOM 0 HB2 PHE A 74 -10.988 24.021 -12.629 1.00 34.15 H new ATOM 0 HB3 PHE A 74 -11.455 23.065 -14.021 1.00 34.15 H new ATOM 0 HD1 PHE A 74 -9.419 25.853 -12.842 1.00 33.40 H new ATOM 0 HD2 PHE A 74 -10.698 23.697 -16.285 1.00 13.42 H new ATOM 0 HE1 PHE A 74 -7.601 26.865 -14.146 1.00 1.43 H new ATOM 0 HE2 PHE A 74 -8.881 24.708 -17.593 1.00 1.51 H new ATOM 0 HZ PHE A 74 -7.331 26.297 -16.527 1.00 54.40 H new ATOM 1171 N GLY A 75 -13.865 24.166 -15.720 1.00 1.50 N ATOM 1172 CA GLY A 75 -14.306 24.256 -17.101 1.00 31.33 C ATOM 1173 C GLY A 75 -13.681 23.190 -17.979 1.00 13.11 C ATOM 1174 O GLY A 75 -13.065 22.248 -17.480 1.00 40.44 O ATOM 0 H GLY A 75 -14.264 23.390 -15.192 1.00 1.50 H new ATOM 0 HA2 GLY A 75 -15.391 24.164 -17.139 1.00 31.33 H new ATOM 0 HA3 GLY A 75 -14.056 25.241 -17.496 1.00 31.33 H new ATOM 1178 N SER A 76 -13.841 23.338 -19.290 1.00 41.41 N ATOM 1179 CA SER A 76 -13.294 22.376 -20.240 1.00 31.24 C ATOM 1180 C SER A 76 -11.768 22.407 -20.225 1.00 13.52 C ATOM 1181 O SER A 76 -11.159 23.445 -19.966 1.00 11.11 O ATOM 1182 CB SER A 76 -13.807 22.672 -21.650 1.00 44.21 C ATOM 1183 OG SER A 76 -13.832 24.066 -21.903 1.00 13.22 O ATOM 0 H SER A 76 -14.345 24.114 -19.719 1.00 41.41 H new ATOM 0 HA SER A 76 -13.624 21.380 -19.943 1.00 31.24 H new ATOM 0 HB2 SER A 76 -13.170 22.178 -22.383 1.00 44.21 H new ATOM 0 HB3 SER A 76 -14.809 22.260 -21.770 1.00 44.21 H new ATOM 0 HG SER A 76 -14.162 24.228 -22.811 1.00 13.22 H new ATOM 1189 N SER A 77 -11.157 21.261 -20.505 1.00 60.44 N ATOM 1190 CA SER A 77 -9.702 21.154 -20.521 1.00 51.52 C ATOM 1191 C SER A 77 -9.266 19.738 -20.884 1.00 71.22 C ATOM 1192 O SER A 77 -9.333 18.824 -20.061 1.00 14.11 O ATOM 1193 CB SER A 77 -9.127 21.544 -19.158 1.00 73.10 C ATOM 1194 OG SER A 77 -7.818 21.027 -18.990 1.00 72.15 O ATOM 0 H SER A 77 -11.646 20.393 -20.724 1.00 60.44 H new ATOM 0 HA SER A 77 -9.319 21.838 -21.278 1.00 51.52 H new ATOM 0 HB2 SER A 77 -9.107 22.630 -19.065 1.00 73.10 H new ATOM 0 HB3 SER A 77 -9.774 21.168 -18.366 1.00 73.10 H new ATOM 0 HG SER A 77 -7.256 21.696 -18.546 1.00 72.15 H new ATOM 1200 N LYS A 78 -8.818 19.563 -22.122 1.00 45.34 N ATOM 1201 CA LYS A 78 -8.368 18.259 -22.597 1.00 5.14 C ATOM 1202 C LYS A 78 -7.268 17.704 -21.699 1.00 60.43 C ATOM 1203 O LYS A 78 -7.064 16.492 -21.630 1.00 22.11 O ATOM 1204 CB LYS A 78 -7.861 18.366 -24.037 1.00 71.03 C ATOM 1205 CG LYS A 78 -6.606 19.208 -24.180 1.00 15.10 C ATOM 1206 CD LYS A 78 -5.988 19.059 -25.560 1.00 20.32 C ATOM 1207 CE LYS A 78 -4.984 20.166 -25.844 1.00 41.20 C ATOM 1208 NZ LYS A 78 -4.610 20.219 -27.284 1.00 71.30 N ATOM 0 H LYS A 78 -8.757 20.308 -22.816 1.00 45.34 H new ATOM 0 HA LYS A 78 -9.216 17.575 -22.567 1.00 5.14 H new ATOM 0 HB2 LYS A 78 -7.662 17.364 -24.418 1.00 71.03 H new ATOM 0 HB3 LYS A 78 -8.648 18.793 -24.659 1.00 71.03 H new ATOM 0 HG2 LYS A 78 -6.847 20.256 -24.000 1.00 15.10 H new ATOM 0 HG3 LYS A 78 -5.881 18.913 -23.422 1.00 15.10 H new ATOM 0 HD2 LYS A 78 -5.494 18.090 -25.636 1.00 20.32 H new ATOM 0 HD3 LYS A 78 -6.774 19.076 -26.315 1.00 20.32 H new ATOM 0 HE2 LYS A 78 -5.406 21.125 -25.543 1.00 41.20 H new ATOM 0 HE3 LYS A 78 -4.089 20.008 -25.242 1.00 41.20 H new ATOM 0 HZ1 LYS A 78 -3.924 20.986 -27.437 1.00 71.30 H new ATOM 0 HZ2 LYS A 78 -4.184 19.313 -27.566 1.00 71.30 H new ATOM 0 HZ3 LYS A 78 -5.460 20.395 -27.857 1.00 71.30 H new ATOM 1222 N GLU A 79 -6.562 18.597 -21.012 1.00 75.03 N ATOM 1223 CA GLU A 79 -5.484 18.194 -20.118 1.00 23.21 C ATOM 1224 C GLU A 79 -6.035 17.482 -18.886 1.00 0.11 C ATOM 1225 O GLU A 79 -5.756 16.303 -18.661 1.00 3.33 O ATOM 1226 CB GLU A 79 -4.662 19.412 -19.692 1.00 14.53 C ATOM 1227 CG GLU A 79 -4.117 20.218 -20.858 1.00 44.41 C ATOM 1228 CD GLU A 79 -3.613 21.586 -20.439 1.00 43.45 C ATOM 1229 OE1 GLU A 79 -2.405 21.849 -20.609 1.00 2.24 O ATOM 1230 OE2 GLU A 79 -4.427 22.391 -19.942 1.00 32.01 O ATOM 0 H GLU A 79 -6.718 19.604 -21.058 1.00 75.03 H new ATOM 0 HA GLU A 79 -4.839 17.501 -20.658 1.00 23.21 H new ATOM 0 HB2 GLU A 79 -5.283 20.060 -19.073 1.00 14.53 H new ATOM 0 HB3 GLU A 79 -3.830 19.079 -19.071 1.00 14.53 H new ATOM 0 HG2 GLU A 79 -3.305 19.664 -21.329 1.00 44.41 H new ATOM 0 HG3 GLU A 79 -4.898 20.337 -21.609 1.00 44.41 H new ATOM 1237 N ILE A 80 -6.817 18.206 -18.093 1.00 73.15 N ATOM 1238 CA ILE A 80 -7.408 17.644 -16.885 1.00 75.41 C ATOM 1239 C ILE A 80 -8.212 16.386 -17.199 1.00 25.14 C ATOM 1240 O ILE A 80 -8.359 15.503 -16.354 1.00 34.31 O ATOM 1241 CB ILE A 80 -8.323 18.661 -16.179 1.00 52.32 C ATOM 1242 CG1 ILE A 80 -7.558 19.955 -15.892 1.00 52.14 C ATOM 1243 CG2 ILE A 80 -8.880 18.071 -14.893 1.00 73.45 C ATOM 1244 CD1 ILE A 80 -8.396 21.012 -15.206 1.00 4.03 C ATOM 0 H ILE A 80 -7.056 19.183 -18.265 1.00 73.15 H new ATOM 0 HA ILE A 80 -6.582 17.388 -16.221 1.00 75.41 H new ATOM 0 HB ILE A 80 -9.159 18.894 -16.839 1.00 52.32 H new ATOM 0 HG12 ILE A 80 -6.694 19.726 -15.268 1.00 52.14 H new ATOM 0 HG13 ILE A 80 -7.176 20.358 -16.830 1.00 52.14 H new ATOM 0 HG21 ILE A 80 -9.525 18.803 -14.406 1.00 73.45 H new ATOM 0 HG22 ILE A 80 -9.457 17.175 -15.124 1.00 73.45 H new ATOM 0 HG23 ILE A 80 -8.058 17.811 -14.226 1.00 73.45 H new ATOM 0 HD11 ILE A 80 -7.790 21.901 -15.033 1.00 4.03 H new ATOM 0 HD12 ILE A 80 -9.246 21.269 -15.838 1.00 4.03 H new ATOM 0 HD13 ILE A 80 -8.756 20.628 -14.252 1.00 4.03 H new ATOM 1256 N ASP A 81 -8.727 16.311 -18.421 1.00 41.35 N ATOM 1257 CA ASP A 81 -9.515 15.160 -18.849 1.00 22.42 C ATOM 1258 C ASP A 81 -8.629 13.930 -19.020 1.00 73.42 C ATOM 1259 O ASP A 81 -8.979 12.834 -18.580 1.00 10.52 O ATOM 1260 CB ASP A 81 -10.237 15.469 -20.161 1.00 3.43 C ATOM 1261 CG ASP A 81 -11.299 14.440 -20.493 1.00 42.24 C ATOM 1262 OD1 ASP A 81 -11.729 13.711 -19.573 1.00 4.04 O ATOM 1263 OD2 ASP A 81 -11.703 14.364 -21.673 1.00 32.32 O ATOM 0 H ASP A 81 -8.613 17.033 -19.133 1.00 41.35 H new ATOM 0 HA ASP A 81 -10.255 14.949 -18.077 1.00 22.42 H new ATOM 0 HB2 ASP A 81 -10.698 16.455 -20.095 1.00 3.43 H new ATOM 0 HB3 ASP A 81 -9.510 15.511 -20.972 1.00 3.43 H new ATOM 1268 N MET A 82 -7.480 14.118 -19.662 1.00 74.40 N ATOM 1269 CA MET A 82 -6.545 13.023 -19.890 1.00 20.22 C ATOM 1270 C MET A 82 -5.977 12.509 -18.571 1.00 32.33 C ATOM 1271 O MET A 82 -5.651 11.329 -18.442 1.00 14.44 O ATOM 1272 CB MET A 82 -5.407 13.479 -20.805 1.00 64.52 C ATOM 1273 CG MET A 82 -5.174 12.556 -21.991 1.00 4.52 C ATOM 1274 SD MET A 82 -5.277 13.417 -23.572 1.00 60.11 S ATOM 1275 CE MET A 82 -3.584 13.969 -23.768 1.00 51.11 C ATOM 0 H MET A 82 -7.175 15.018 -20.033 1.00 74.40 H new ATOM 0 HA MET A 82 -7.087 12.210 -20.373 1.00 20.22 H new ATOM 0 HB2 MET A 82 -5.627 14.481 -21.173 1.00 64.52 H new ATOM 0 HB3 MET A 82 -4.488 13.548 -20.222 1.00 64.52 H new ATOM 0 HG2 MET A 82 -4.192 12.092 -21.898 1.00 4.52 H new ATOM 0 HG3 MET A 82 -5.910 11.752 -21.971 1.00 4.52 H new ATOM 0 HE1 MET A 82 -3.487 14.520 -24.704 1.00 51.11 H new ATOM 0 HE2 MET A 82 -3.314 14.618 -22.935 1.00 51.11 H new ATOM 0 HE3 MET A 82 -2.919 13.105 -23.785 1.00 51.11 H new ATOM 1285 N ALA A 83 -5.859 13.403 -17.594 1.00 43.12 N ATOM 1286 CA ALA A 83 -5.332 13.039 -16.285 1.00 61.23 C ATOM 1287 C ALA A 83 -6.296 12.122 -15.540 1.00 43.13 C ATOM 1288 O ALA A 83 -5.949 10.994 -15.189 1.00 62.43 O ATOM 1289 CB ALA A 83 -5.049 14.288 -15.464 1.00 23.30 C ATOM 0 H ALA A 83 -6.121 14.384 -17.685 1.00 43.12 H new ATOM 0 HA ALA A 83 -4.399 12.497 -16.435 1.00 61.23 H new ATOM 0 HB1 ALA A 83 -4.656 14.001 -14.489 1.00 23.30 H new ATOM 0 HB2 ALA A 83 -4.316 14.906 -15.983 1.00 23.30 H new ATOM 0 HB3 ALA A 83 -5.972 14.853 -15.331 1.00 23.30 H new ATOM 1295 N ILE A 84 -7.508 12.614 -15.302 1.00 72.55 N ATOM 1296 CA ILE A 84 -8.522 11.837 -14.599 1.00 24.31 C ATOM 1297 C ILE A 84 -8.704 10.465 -15.238 1.00 34.42 C ATOM 1298 O ILE A 84 -8.837 9.457 -14.543 1.00 53.44 O ATOM 1299 CB ILE A 84 -9.878 12.567 -14.583 1.00 33.50 C ATOM 1300 CG1 ILE A 84 -10.950 11.682 -13.944 1.00 42.24 C ATOM 1301 CG2 ILE A 84 -10.283 12.965 -15.993 1.00 0.11 C ATOM 1302 CD1 ILE A 84 -12.270 12.391 -13.730 1.00 34.52 C ATOM 0 H ILE A 84 -7.811 13.546 -15.585 1.00 72.55 H new ATOM 0 HA ILE A 84 -8.172 11.714 -13.574 1.00 24.31 H new ATOM 0 HB ILE A 84 -9.779 13.474 -13.986 1.00 33.50 H new ATOM 0 HG12 ILE A 84 -11.114 10.809 -14.576 1.00 42.24 H new ATOM 0 HG13 ILE A 84 -10.583 11.316 -12.985 1.00 42.24 H new ATOM 0 HG21 ILE A 84 -11.243 13.480 -15.964 1.00 0.11 H new ATOM 0 HG22 ILE A 84 -9.528 13.629 -16.415 1.00 0.11 H new ATOM 0 HG23 ILE A 84 -10.368 12.072 -16.613 1.00 0.11 H new ATOM 0 HD11 ILE A 84 -12.982 11.704 -13.274 1.00 34.52 H new ATOM 0 HD12 ILE A 84 -12.121 13.248 -13.073 1.00 34.52 H new ATOM 0 HD13 ILE A 84 -12.659 12.733 -14.689 1.00 34.52 H new ATOM 1314 N VAL A 85 -8.707 10.432 -16.567 1.00 62.11 N ATOM 1315 CA VAL A 85 -8.870 9.183 -17.300 1.00 63.50 C ATOM 1316 C VAL A 85 -7.725 8.220 -17.007 1.00 63.00 C ATOM 1317 O VAL A 85 -7.939 7.024 -16.803 1.00 2.53 O ATOM 1318 CB VAL A 85 -8.942 9.428 -18.819 1.00 2.03 C ATOM 1319 CG1 VAL A 85 -8.966 8.108 -19.573 1.00 44.12 C ATOM 1320 CG2 VAL A 85 -10.161 10.271 -19.164 1.00 32.02 C ATOM 0 H VAL A 85 -8.598 11.256 -17.158 1.00 62.11 H new ATOM 0 HA VAL A 85 -9.808 8.741 -16.965 1.00 63.50 H new ATOM 0 HB VAL A 85 -8.050 9.976 -19.124 1.00 2.03 H new ATOM 0 HG11 VAL A 85 -9.017 8.302 -20.644 1.00 44.12 H new ATOM 0 HG12 VAL A 85 -8.060 7.544 -19.349 1.00 44.12 H new ATOM 0 HG13 VAL A 85 -9.838 7.530 -19.267 1.00 44.12 H new ATOM 0 HG21 VAL A 85 -10.197 10.435 -20.241 1.00 32.02 H new ATOM 0 HG22 VAL A 85 -11.065 9.751 -18.846 1.00 32.02 H new ATOM 0 HG23 VAL A 85 -10.096 11.231 -18.653 1.00 32.02 H new ATOM 1330 N THR A 86 -6.505 8.748 -16.986 1.00 32.22 N ATOM 1331 CA THR A 86 -5.325 7.936 -16.717 1.00 2.34 C ATOM 1332 C THR A 86 -5.440 7.225 -15.374 1.00 53.24 C ATOM 1333 O THR A 86 -5.144 6.034 -15.263 1.00 42.33 O ATOM 1334 CB THR A 86 -4.043 8.790 -16.724 1.00 70.51 C ATOM 1335 OG1 THR A 86 -3.810 9.314 -18.036 1.00 63.32 O ATOM 1336 CG2 THR A 86 -2.842 7.967 -16.280 1.00 45.20 C ATOM 0 H THR A 86 -6.309 9.735 -17.152 1.00 32.22 H new ATOM 0 HA THR A 86 -5.264 7.194 -17.513 1.00 2.34 H new ATOM 0 HB THR A 86 -4.178 9.614 -16.023 1.00 70.51 H new ATOM 0 HG1 THR A 86 -4.479 10.001 -18.237 1.00 63.32 H new ATOM 0 HG21 THR A 86 -1.948 8.591 -16.293 1.00 45.20 H new ATOM 0 HG22 THR A 86 -3.010 7.594 -15.270 1.00 45.20 H new ATOM 0 HG23 THR A 86 -2.707 7.125 -16.959 1.00 45.20 H new ATOM 1344 N LEU A 87 -5.874 7.959 -14.356 1.00 3.54 N ATOM 1345 CA LEU A 87 -6.030 7.397 -13.019 1.00 12.05 C ATOM 1346 C LEU A 87 -7.028 6.243 -13.026 1.00 21.03 C ATOM 1347 O LEU A 87 -6.755 5.168 -12.493 1.00 2.41 O ATOM 1348 CB LEU A 87 -6.490 8.479 -12.040 1.00 72.04 C ATOM 1349 CG LEU A 87 -5.571 9.693 -11.900 1.00 22.21 C ATOM 1350 CD1 LEU A 87 -6.367 10.921 -11.491 1.00 51.40 C ATOM 1351 CD2 LEU A 87 -4.467 9.411 -10.892 1.00 23.24 C ATOM 0 H LEU A 87 -6.124 8.945 -14.431 1.00 3.54 H new ATOM 0 HA LEU A 87 -5.062 7.013 -12.698 1.00 12.05 H new ATOM 0 HB2 LEU A 87 -7.474 8.828 -12.352 1.00 72.04 H new ATOM 0 HB3 LEU A 87 -6.610 8.024 -11.057 1.00 72.04 H new ATOM 0 HG LEU A 87 -5.111 9.890 -12.868 1.00 22.21 H new ATOM 0 HD11 LEU A 87 -5.696 11.775 -11.396 1.00 51.40 H new ATOM 0 HD12 LEU A 87 -7.121 11.135 -12.248 1.00 51.40 H new ATOM 0 HD13 LEU A 87 -6.856 10.736 -10.534 1.00 51.40 H new ATOM 0 HD21 LEU A 87 -3.822 10.285 -10.805 1.00 23.24 H new ATOM 0 HD22 LEU A 87 -4.909 9.188 -9.921 1.00 23.24 H new ATOM 0 HD23 LEU A 87 -3.878 8.558 -11.227 1.00 23.24 H new ATOM 1363 N LYS A 88 -8.185 6.474 -13.636 1.00 52.34 N ATOM 1364 CA LYS A 88 -9.225 5.454 -13.717 1.00 33.12 C ATOM 1365 C LYS A 88 -8.744 4.251 -14.522 1.00 44.23 C ATOM 1366 O LYS A 88 -8.931 3.104 -14.116 1.00 73.30 O ATOM 1367 CB LYS A 88 -10.489 6.035 -14.353 1.00 74.05 C ATOM 1368 CG LYS A 88 -11.199 7.053 -13.476 1.00 75.55 C ATOM 1369 CD LYS A 88 -12.600 7.347 -13.984 1.00 44.42 C ATOM 1370 CE LYS A 88 -12.699 8.749 -14.565 1.00 21.14 C ATOM 1371 NZ LYS A 88 -14.089 9.079 -14.984 1.00 54.35 N ATOM 0 H LYS A 88 -8.427 7.359 -14.082 1.00 52.34 H new ATOM 0 HA LYS A 88 -9.455 5.123 -12.704 1.00 33.12 H new ATOM 0 HB2 LYS A 88 -10.226 6.505 -15.301 1.00 74.05 H new ATOM 0 HB3 LYS A 88 -11.178 5.221 -14.581 1.00 74.05 H new ATOM 0 HG2 LYS A 88 -11.253 6.679 -12.454 1.00 75.55 H new ATOM 0 HG3 LYS A 88 -10.620 7.976 -13.447 1.00 75.55 H new ATOM 0 HD2 LYS A 88 -12.873 6.616 -14.745 1.00 44.42 H new ATOM 0 HD3 LYS A 88 -13.314 7.239 -13.168 1.00 44.42 H new ATOM 0 HE2 LYS A 88 -12.361 9.474 -13.824 1.00 21.14 H new ATOM 0 HE3 LYS A 88 -12.031 8.835 -15.422 1.00 21.14 H new ATOM 0 HZ1 LYS A 88 -14.074 9.499 -15.935 1.00 54.35 H new ATOM 0 HZ2 LYS A 88 -14.663 8.212 -14.997 1.00 54.35 H new ATOM 0 HZ3 LYS A 88 -14.502 9.757 -14.312 1.00 54.35 H new ATOM 1385 N VAL A 89 -8.123 4.521 -15.666 1.00 55.15 N ATOM 1386 CA VAL A 89 -7.613 3.460 -16.527 1.00 42.45 C ATOM 1387 C VAL A 89 -6.567 2.620 -15.805 1.00 31.12 C ATOM 1388 O VAL A 89 -6.677 1.396 -15.734 1.00 53.25 O ATOM 1389 CB VAL A 89 -6.996 4.032 -17.817 1.00 62.11 C ATOM 1390 CG1 VAL A 89 -6.368 2.923 -18.646 1.00 44.43 C ATOM 1391 CG2 VAL A 89 -8.046 4.782 -18.623 1.00 32.43 C ATOM 0 H VAL A 89 -7.961 5.465 -16.018 1.00 55.15 H new ATOM 0 HA VAL A 89 -8.463 2.829 -16.788 1.00 42.45 H new ATOM 0 HB VAL A 89 -6.211 4.736 -17.542 1.00 62.11 H new ATOM 0 HG11 VAL A 89 -5.937 3.346 -19.553 1.00 44.43 H new ATOM 0 HG12 VAL A 89 -5.585 2.434 -18.066 1.00 44.43 H new ATOM 0 HG13 VAL A 89 -7.131 2.192 -18.913 1.00 44.43 H new ATOM 0 HG21 VAL A 89 -7.592 5.179 -19.531 1.00 32.43 H new ATOM 0 HG22 VAL A 89 -8.855 4.102 -18.889 1.00 32.43 H new ATOM 0 HG23 VAL A 89 -8.444 5.603 -18.027 1.00 32.43 H new ATOM 1401 N PHE A 90 -5.549 3.287 -15.268 1.00 75.22 N ATOM 1402 CA PHE A 90 -4.481 2.602 -14.550 1.00 71.13 C ATOM 1403 C PHE A 90 -5.013 1.949 -13.277 1.00 25.14 C ATOM 1404 O PHE A 90 -4.460 0.958 -12.798 1.00 41.32 O ATOM 1405 CB PHE A 90 -3.359 3.585 -14.203 1.00 54.04 C ATOM 1406 CG PHE A 90 -2.012 2.935 -14.075 1.00 71.21 C ATOM 1407 CD1 PHE A 90 -1.333 2.489 -15.198 1.00 71.45 C ATOM 1408 CD2 PHE A 90 -1.423 2.769 -12.831 1.00 73.34 C ATOM 1409 CE1 PHE A 90 -0.092 1.891 -15.083 1.00 54.01 C ATOM 1410 CE2 PHE A 90 -0.183 2.172 -12.710 1.00 43.11 C ATOM 1411 CZ PHE A 90 0.483 1.731 -13.837 1.00 4.14 C ATOM 0 H PHE A 90 -5.442 4.300 -15.317 1.00 75.22 H new ATOM 0 HA PHE A 90 -4.083 1.821 -15.198 1.00 71.13 H new ATOM 0 HB2 PHE A 90 -3.310 4.355 -14.973 1.00 54.04 H new ATOM 0 HB3 PHE A 90 -3.602 4.086 -13.266 1.00 54.04 H new ATOM 0 HD1 PHE A 90 -1.779 2.610 -16.174 1.00 71.45 H new ATOM 0 HD2 PHE A 90 -1.940 3.110 -11.946 1.00 73.34 H new ATOM 0 HE1 PHE A 90 0.427 1.549 -15.966 1.00 54.01 H new ATOM 0 HE2 PHE A 90 0.265 2.050 -11.735 1.00 43.11 H new ATOM 0 HZ PHE A 90 1.451 1.262 -13.744 1.00 4.14 H new ATOM 1421 N ALA A 91 -6.086 2.512 -12.735 1.00 0.33 N ATOM 1422 CA ALA A 91 -6.694 1.984 -11.519 1.00 5.23 C ATOM 1423 C ALA A 91 -7.216 0.569 -11.736 1.00 24.51 C ATOM 1424 O ALA A 91 -6.914 -0.341 -10.963 1.00 54.11 O ATOM 1425 CB ALA A 91 -7.817 2.898 -11.052 1.00 73.21 C ATOM 0 H ALA A 91 -6.553 3.334 -13.118 1.00 0.33 H new ATOM 0 HA ALA A 91 -5.927 1.945 -10.746 1.00 5.23 H new ATOM 0 HB1 ALA A 91 -8.262 2.492 -10.144 1.00 73.21 H new ATOM 0 HB2 ALA A 91 -7.417 3.891 -10.848 1.00 73.21 H new ATOM 0 HB3 ALA A 91 -8.578 2.966 -11.830 1.00 73.21 H new ATOM 1431 N VAL A 92 -8.001 0.388 -12.793 1.00 55.45 N ATOM 1432 CA VAL A 92 -8.566 -0.919 -13.112 1.00 10.34 C ATOM 1433 C VAL A 92 -7.563 -1.779 -13.872 1.00 33.21 C ATOM 1434 O VAL A 92 -7.491 -2.991 -13.669 1.00 33.43 O ATOM 1435 CB VAL A 92 -9.851 -0.786 -13.951 1.00 21.55 C ATOM 1436 CG1 VAL A 92 -9.558 -0.084 -15.268 1.00 71.14 C ATOM 1437 CG2 VAL A 92 -10.473 -2.153 -14.191 1.00 4.45 C ATOM 0 H VAL A 92 -8.261 1.130 -13.443 1.00 55.45 H new ATOM 0 HA VAL A 92 -8.809 -1.399 -12.164 1.00 10.34 H new ATOM 0 HB VAL A 92 -10.567 -0.179 -13.396 1.00 21.55 H new ATOM 0 HG11 VAL A 92 -10.477 0.001 -15.847 1.00 71.14 H new ATOM 0 HG12 VAL A 92 -9.161 0.911 -15.069 1.00 71.14 H new ATOM 0 HG13 VAL A 92 -8.825 -0.661 -15.833 1.00 71.14 H new ATOM 0 HG21 VAL A 92 -11.380 -2.041 -14.785 1.00 4.45 H new ATOM 0 HG22 VAL A 92 -9.765 -2.786 -14.726 1.00 4.45 H new ATOM 0 HG23 VAL A 92 -10.721 -2.613 -13.234 1.00 4.45 H new ATOM 1447 N ALA A 93 -6.790 -1.145 -14.747 1.00 51.31 N ATOM 1448 CA ALA A 93 -5.789 -1.852 -15.536 1.00 74.10 C ATOM 1449 C ALA A 93 -4.638 -2.334 -14.658 1.00 53.13 C ATOM 1450 O ALA A 93 -3.859 -3.197 -15.058 1.00 21.40 O ATOM 1451 CB ALA A 93 -5.267 -0.958 -16.650 1.00 31.12 C ATOM 0 H ALA A 93 -6.838 -0.142 -14.928 1.00 51.31 H new ATOM 0 HA ALA A 93 -6.264 -2.727 -15.980 1.00 74.10 H new ATOM 0 HB1 ALA A 93 -4.520 -1.499 -17.231 1.00 31.12 H new ATOM 0 HB2 ALA A 93 -6.092 -0.668 -17.300 1.00 31.12 H new ATOM 0 HB3 ALA A 93 -4.814 -0.066 -16.218 1.00 31.12 H new ATOM 1457 N GLY A 94 -4.538 -1.769 -13.458 1.00 5.43 N ATOM 1458 CA GLY A 94 -3.480 -2.153 -12.544 1.00 22.15 C ATOM 1459 C GLY A 94 -3.967 -3.083 -11.450 1.00 64.45 C ATOM 1460 O GLY A 94 -3.542 -4.237 -11.372 1.00 51.12 O ATOM 0 H GLY A 94 -5.171 -1.052 -13.104 1.00 5.43 H new ATOM 0 HA2 GLY A 94 -2.681 -2.641 -13.102 1.00 22.15 H new ATOM 0 HA3 GLY A 94 -3.052 -1.258 -12.092 1.00 22.15 H new ATOM 1464 N LEU A 95 -4.858 -2.582 -10.604 1.00 14.51 N ATOM 1465 CA LEU A 95 -5.403 -3.375 -9.508 1.00 22.43 C ATOM 1466 C LEU A 95 -6.140 -4.601 -10.037 1.00 42.34 C ATOM 1467 O LEU A 95 -6.103 -5.672 -9.430 1.00 20.22 O ATOM 1468 CB LEU A 95 -6.349 -2.526 -8.657 1.00 4.04 C ATOM 1469 CG LEU A 95 -5.683 -1.560 -7.675 1.00 45.43 C ATOM 1470 CD1 LEU A 95 -4.757 -2.312 -6.732 1.00 3.51 C ATOM 1471 CD2 LEU A 95 -4.920 -0.478 -8.425 1.00 62.24 C ATOM 0 H LEU A 95 -5.219 -1.629 -10.655 1.00 14.51 H new ATOM 0 HA LEU A 95 -4.572 -3.712 -8.889 1.00 22.43 H new ATOM 0 HB2 LEU A 95 -6.989 -1.950 -9.325 1.00 4.04 H new ATOM 0 HB3 LEU A 95 -6.998 -3.196 -8.093 1.00 4.04 H new ATOM 0 HG LEU A 95 -6.462 -1.081 -7.081 1.00 45.43 H new ATOM 0 HD11 LEU A 95 -4.292 -1.609 -6.041 1.00 3.51 H new ATOM 0 HD12 LEU A 95 -5.331 -3.048 -6.169 1.00 3.51 H new ATOM 0 HD13 LEU A 95 -3.983 -2.819 -7.309 1.00 3.51 H new ATOM 0 HD21 LEU A 95 -4.453 0.200 -7.710 1.00 62.24 H new ATOM 0 HD22 LEU A 95 -4.151 -0.938 -9.045 1.00 62.24 H new ATOM 0 HD23 LEU A 95 -5.609 0.081 -9.058 1.00 62.24 H new ATOM 1483 N LEU A 96 -6.809 -4.438 -11.174 1.00 13.13 N ATOM 1484 CA LEU A 96 -7.554 -5.532 -11.787 1.00 20.04 C ATOM 1485 C LEU A 96 -6.790 -6.113 -12.973 1.00 73.43 C ATOM 1486 O LEU A 96 -7.279 -7.008 -13.661 1.00 71.01 O ATOM 1487 CB LEU A 96 -8.931 -5.046 -12.242 1.00 34.34 C ATOM 1488 CG LEU A 96 -10.101 -5.991 -11.967 1.00 65.13 C ATOM 1489 CD1 LEU A 96 -10.630 -5.792 -10.556 1.00 1.44 C ATOM 1490 CD2 LEU A 96 -11.208 -5.780 -12.989 1.00 4.24 C ATOM 0 H LEU A 96 -6.850 -3.559 -11.690 1.00 13.13 H new ATOM 0 HA LEU A 96 -7.681 -6.316 -11.040 1.00 20.04 H new ATOM 0 HB2 LEU A 96 -9.137 -4.093 -11.754 1.00 34.34 H new ATOM 0 HB3 LEU A 96 -8.890 -4.853 -13.314 1.00 34.34 H new ATOM 0 HG LEU A 96 -9.742 -7.017 -12.056 1.00 65.13 H new ATOM 0 HD11 LEU A 96 -11.462 -6.474 -10.380 1.00 1.44 H new ATOM 0 HD12 LEU A 96 -9.836 -5.996 -9.838 1.00 1.44 H new ATOM 0 HD13 LEU A 96 -10.972 -4.764 -10.437 1.00 1.44 H new ATOM 0 HD21 LEU A 96 -12.033 -6.461 -12.778 1.00 4.24 H new ATOM 0 HD22 LEU A 96 -11.564 -4.751 -12.933 1.00 4.24 H new ATOM 0 HD23 LEU A 96 -10.822 -5.977 -13.989 1.00 4.24 H new ATOM 1502 N ASN A 97 -5.586 -5.599 -13.204 1.00 70.52 N ATOM 1503 CA ASN A 97 -4.754 -6.068 -14.306 1.00 30.41 C ATOM 1504 C ASN A 97 -5.531 -6.058 -15.618 1.00 2.42 C ATOM 1505 O ASN A 97 -5.277 -6.868 -16.509 1.00 21.34 O ATOM 1506 CB ASN A 97 -4.237 -7.479 -14.017 1.00 0.20 C ATOM 1507 CG ASN A 97 -3.261 -7.512 -12.856 1.00 5.41 C ATOM 1508 OD1 ASN A 97 -2.195 -6.901 -12.911 1.00 2.04 O ATOM 1509 ND2 ASN A 97 -3.625 -8.228 -11.799 1.00 23.33 N ATOM 0 H ASN A 97 -5.165 -4.858 -12.643 1.00 70.52 H new ATOM 0 HA ASN A 97 -3.906 -5.390 -14.402 1.00 30.41 H new ATOM 0 HB2 ASN A 97 -5.080 -8.134 -13.798 1.00 0.20 H new ATOM 0 HB3 ASN A 97 -3.750 -7.874 -14.909 1.00 0.20 H new ATOM 0 HD21 ASN A 97 -3.010 -8.288 -10.987 1.00 23.33 H new ATOM 0 HD22 ASN A 97 -4.519 -8.718 -11.799 1.00 23.33 H new ATOM 1516 N MET A 98 -6.479 -5.133 -15.730 1.00 12.30 N ATOM 1517 CA MET A 98 -7.293 -5.016 -16.934 1.00 45.33 C ATOM 1518 C MET A 98 -6.454 -4.531 -18.112 1.00 61.55 C ATOM 1519 O MET A 98 -5.576 -3.683 -17.956 1.00 70.40 O ATOM 1520 CB MET A 98 -8.460 -4.055 -16.696 1.00 62.12 C ATOM 1521 CG MET A 98 -9.824 -4.696 -16.893 1.00 53.43 C ATOM 1522 SD MET A 98 -10.363 -4.669 -18.614 1.00 24.04 S ATOM 1523 CE MET A 98 -11.685 -5.876 -18.574 1.00 0.44 C ATOM 0 H MET A 98 -6.702 -4.454 -15.002 1.00 12.30 H new ATOM 0 HA MET A 98 -7.687 -6.004 -17.172 1.00 45.33 H new ATOM 0 HB2 MET A 98 -8.395 -3.662 -15.681 1.00 62.12 H new ATOM 0 HB3 MET A 98 -8.365 -3.206 -17.373 1.00 62.12 H new ATOM 0 HG2 MET A 98 -9.790 -5.728 -16.543 1.00 53.43 H new ATOM 0 HG3 MET A 98 -10.558 -4.175 -16.278 1.00 53.43 H new ATOM 0 HE1 MET A 98 -12.120 -5.972 -19.569 1.00 0.44 H new ATOM 0 HE2 MET A 98 -11.288 -6.840 -18.257 1.00 0.44 H new ATOM 0 HE3 MET A 98 -12.453 -5.551 -17.872 1.00 0.44 H new ATOM 1533 N THR A 99 -6.729 -5.078 -19.293 1.00 2.20 N ATOM 1534 CA THR A 99 -5.998 -4.704 -20.497 1.00 10.14 C ATOM 1535 C THR A 99 -6.904 -3.980 -21.488 1.00 71.50 C ATOM 1536 O THR A 99 -7.047 -4.402 -22.635 1.00 53.00 O ATOM 1537 CB THR A 99 -5.383 -5.935 -21.187 1.00 33.11 C ATOM 1538 OG1 THR A 99 -6.411 -6.872 -21.525 1.00 41.42 O ATOM 1539 CG2 THR A 99 -4.357 -6.605 -20.284 1.00 43.43 C ATOM 0 H THR A 99 -7.453 -5.781 -19.440 1.00 2.20 H new ATOM 0 HA THR A 99 -5.197 -4.034 -20.184 1.00 10.14 H new ATOM 0 HB THR A 99 -4.882 -5.602 -22.096 1.00 33.11 H new ATOM 0 HG1 THR A 99 -7.028 -6.463 -22.167 1.00 41.42 H new ATOM 0 HG21 THR A 99 -3.936 -7.472 -20.793 1.00 43.43 H new ATOM 0 HG22 THR A 99 -3.560 -5.898 -20.052 1.00 43.43 H new ATOM 0 HG23 THR A 99 -4.839 -6.925 -19.360 1.00 43.43 H new ATOM 1547 N VAL A 100 -7.513 -2.888 -21.037 1.00 35.14 N ATOM 1548 CA VAL A 100 -8.404 -2.105 -21.884 1.00 51.50 C ATOM 1549 C VAL A 100 -7.734 -1.750 -23.206 1.00 44.42 C ATOM 1550 O VAL A 100 -6.511 -1.637 -23.283 1.00 5.03 O ATOM 1551 CB VAL A 100 -8.849 -0.808 -21.183 1.00 34.44 C ATOM 1552 CG1 VAL A 100 -9.663 -1.125 -19.937 1.00 40.22 C ATOM 1553 CG2 VAL A 100 -7.642 0.052 -20.836 1.00 60.41 C ATOM 0 H VAL A 100 -7.405 -2.526 -20.090 1.00 35.14 H new ATOM 0 HA VAL A 100 -9.280 -2.724 -22.078 1.00 51.50 H new ATOM 0 HB VAL A 100 -9.483 -0.245 -21.868 1.00 34.44 H new ATOM 0 HG11 VAL A 100 -9.968 -0.196 -19.456 1.00 40.22 H new ATOM 0 HG12 VAL A 100 -10.548 -1.697 -20.216 1.00 40.22 H new ATOM 0 HG13 VAL A 100 -9.057 -1.710 -19.245 1.00 40.22 H new ATOM 0 HG21 VAL A 100 -7.975 0.964 -20.341 1.00 60.41 H new ATOM 0 HG22 VAL A 100 -6.981 -0.501 -20.169 1.00 60.41 H new ATOM 0 HG23 VAL A 100 -7.104 0.310 -21.749 1.00 60.41 H new ATOM 1563 N SER A 101 -8.544 -1.576 -24.246 1.00 41.03 N ATOM 1564 CA SER A 101 -8.029 -1.238 -25.568 1.00 34.44 C ATOM 1565 C SER A 101 -7.766 0.261 -25.680 1.00 4.12 C ATOM 1566 O SER A 101 -6.871 0.693 -26.408 1.00 4.53 O ATOM 1567 CB SER A 101 -9.016 -1.676 -26.650 1.00 44.04 C ATOM 1568 OG SER A 101 -8.872 -3.056 -26.943 1.00 3.41 O ATOM 0 H SER A 101 -9.559 -1.664 -24.199 1.00 41.03 H new ATOM 0 HA SER A 101 -7.087 -1.767 -25.711 1.00 34.44 H new ATOM 0 HB2 SER A 101 -10.035 -1.475 -26.320 1.00 44.04 H new ATOM 0 HB3 SER A 101 -8.853 -1.090 -27.554 1.00 44.04 H new ATOM 0 HG SER A 101 -9.515 -3.312 -27.637 1.00 3.41 H new ATOM 1574 N THR A 102 -8.552 1.050 -24.955 1.00 52.44 N ATOM 1575 CA THR A 102 -8.407 2.500 -24.974 1.00 51.53 C ATOM 1576 C THR A 102 -8.702 3.100 -23.604 1.00 31.10 C ATOM 1577 O THR A 102 -9.569 2.616 -22.878 1.00 74.32 O ATOM 1578 CB THR A 102 -9.340 3.145 -26.016 1.00 52.41 C ATOM 1579 OG1 THR A 102 -10.693 3.116 -25.545 1.00 44.53 O ATOM 1580 CG2 THR A 102 -9.246 2.420 -27.349 1.00 44.22 C ATOM 0 H THR A 102 -9.296 0.709 -24.347 1.00 52.44 H new ATOM 0 HA THR A 102 -7.372 2.710 -25.245 1.00 51.53 H new ATOM 0 HB THR A 102 -9.028 4.179 -26.161 1.00 52.41 H new ATOM 0 HG1 THR A 102 -11.280 3.529 -26.212 1.00 44.53 H new ATOM 0 HG21 THR A 102 -9.914 2.894 -28.069 1.00 44.22 H new ATOM 0 HG22 THR A 102 -8.222 2.468 -27.718 1.00 44.22 H new ATOM 0 HG23 THR A 102 -9.535 1.377 -27.217 1.00 44.22 H new ATOM 1588 N ALA A 103 -7.975 4.156 -23.256 1.00 3.45 N ATOM 1589 CA ALA A 103 -8.160 4.824 -21.974 1.00 51.35 C ATOM 1590 C ALA A 103 -9.627 5.175 -21.745 1.00 64.45 C ATOM 1591 O ALA A 103 -10.119 5.118 -20.619 1.00 75.45 O ATOM 1592 CB ALA A 103 -7.299 6.076 -21.901 1.00 52.44 C ATOM 0 H ALA A 103 -7.251 4.568 -23.845 1.00 3.45 H new ATOM 0 HA ALA A 103 -7.850 4.137 -21.187 1.00 51.35 H new ATOM 0 HB1 ALA A 103 -7.448 6.564 -20.938 1.00 52.44 H new ATOM 0 HB2 ALA A 103 -6.250 5.803 -22.011 1.00 52.44 H new ATOM 0 HB3 ALA A 103 -7.582 6.759 -22.702 1.00 52.44 H new ATOM 1598 N ALA A 104 -10.319 5.537 -22.820 1.00 63.10 N ATOM 1599 CA ALA A 104 -11.730 5.894 -22.736 1.00 2.13 C ATOM 1600 C ALA A 104 -12.574 4.700 -22.303 1.00 0.53 C ATOM 1601 O ALA A 104 -13.455 4.827 -21.454 1.00 15.40 O ATOM 1602 CB ALA A 104 -12.218 6.433 -24.072 1.00 52.24 C ATOM 0 H ALA A 104 -9.926 5.591 -23.760 1.00 63.10 H new ATOM 0 HA ALA A 104 -11.838 6.673 -21.982 1.00 2.13 H new ATOM 0 HB1 ALA A 104 -13.273 6.696 -23.995 1.00 52.24 H new ATOM 0 HB2 ALA A 104 -11.642 7.319 -24.339 1.00 52.24 H new ATOM 0 HB3 ALA A 104 -12.089 5.671 -24.841 1.00 52.24 H new ATOM 1608 N ALA A 105 -12.299 3.542 -22.892 1.00 64.01 N ATOM 1609 CA ALA A 105 -13.032 2.326 -22.567 1.00 32.32 C ATOM 1610 C ALA A 105 -12.884 1.975 -21.090 1.00 52.42 C ATOM 1611 O ALA A 105 -13.858 1.617 -20.427 1.00 54.31 O ATOM 1612 CB ALA A 105 -12.554 1.172 -23.435 1.00 61.14 C ATOM 0 H ALA A 105 -11.573 3.420 -23.598 1.00 64.01 H new ATOM 0 HA ALA A 105 -14.088 2.504 -22.769 1.00 32.32 H new ATOM 0 HB1 ALA A 105 -13.111 0.270 -23.180 1.00 61.14 H new ATOM 0 HB2 ALA A 105 -12.717 1.415 -24.485 1.00 61.14 H new ATOM 0 HB3 ALA A 105 -11.491 1.003 -23.262 1.00 61.14 H new ATOM 1618 N ALA A 106 -11.662 2.080 -20.581 1.00 60.33 N ATOM 1619 CA ALA A 106 -11.388 1.774 -19.182 1.00 65.43 C ATOM 1620 C ALA A 106 -12.178 2.691 -18.256 1.00 75.32 C ATOM 1621 O ALA A 106 -12.744 2.242 -17.258 1.00 64.32 O ATOM 1622 CB ALA A 106 -9.897 1.892 -18.898 1.00 41.44 C ATOM 0 H ALA A 106 -10.845 2.375 -21.116 1.00 60.33 H new ATOM 0 HA ALA A 106 -11.703 0.748 -18.991 1.00 65.43 H new ATOM 0 HB1 ALA A 106 -9.707 1.661 -17.850 1.00 41.44 H new ATOM 0 HB2 ALA A 106 -9.350 1.192 -19.529 1.00 41.44 H new ATOM 0 HB3 ALA A 106 -9.565 2.908 -19.111 1.00 41.44 H new ATOM 1628 N GLU A 107 -12.213 3.976 -18.591 1.00 12.50 N ATOM 1629 CA GLU A 107 -12.935 4.955 -17.786 1.00 13.14 C ATOM 1630 C GLU A 107 -14.442 4.744 -17.893 1.00 73.11 C ATOM 1631 O GLU A 107 -15.172 4.903 -16.916 1.00 52.24 O ATOM 1632 CB GLU A 107 -12.576 6.376 -18.229 1.00 11.05 C ATOM 1633 CG GLU A 107 -13.437 7.450 -17.584 1.00 63.42 C ATOM 1634 CD GLU A 107 -14.560 7.918 -18.489 1.00 24.43 C ATOM 1635 OE1 GLU A 107 -14.294 8.162 -19.685 1.00 14.03 O ATOM 1636 OE2 GLU A 107 -15.702 8.041 -18.001 1.00 3.41 O ATOM 0 H GLU A 107 -11.751 4.364 -19.413 1.00 12.50 H new ATOM 0 HA GLU A 107 -12.640 4.820 -16.745 1.00 13.14 H new ATOM 0 HB2 GLU A 107 -11.530 6.569 -17.990 1.00 11.05 H new ATOM 0 HB3 GLU A 107 -12.674 6.446 -19.312 1.00 11.05 H new ATOM 0 HG2 GLU A 107 -13.860 7.063 -16.657 1.00 63.42 H new ATOM 0 HG3 GLU A 107 -12.811 8.302 -17.318 1.00 63.42 H new ATOM 1643 N ASN A 108 -14.900 4.385 -19.088 1.00 74.10 N ATOM 1644 CA ASN A 108 -16.320 4.152 -19.324 1.00 32.22 C ATOM 1645 C ASN A 108 -16.861 3.082 -18.378 1.00 5.52 C ATOM 1646 O ASN A 108 -17.908 3.260 -17.758 1.00 71.21 O ATOM 1647 CB ASN A 108 -16.555 3.731 -20.776 1.00 50.22 C ATOM 1648 CG ASN A 108 -17.224 4.820 -21.592 1.00 3.52 C ATOM 1649 OD1 ASN A 108 -16.638 5.873 -21.841 1.00 11.04 O ATOM 1650 ND2 ASN A 108 -18.459 4.570 -22.013 1.00 11.53 N ATOM 0 H ASN A 108 -14.308 4.249 -19.908 1.00 74.10 H new ATOM 0 HA ASN A 108 -16.852 5.084 -19.132 1.00 32.22 H new ATOM 0 HB2 ASN A 108 -15.601 3.471 -21.235 1.00 50.22 H new ATOM 0 HB3 ASN A 108 -17.174 2.834 -20.796 1.00 50.22 H new ATOM 0 HD21 ASN A 108 -18.960 5.265 -22.566 1.00 11.53 H new ATOM 0 HD22 ASN A 108 -18.906 3.683 -21.783 1.00 11.53 H new ATOM 1657 N MET A 109 -16.137 1.972 -18.276 1.00 13.13 N ATOM 1658 CA MET A 109 -16.543 0.874 -17.405 1.00 0.45 C ATOM 1659 C MET A 109 -16.313 1.230 -15.940 1.00 71.33 C ATOM 1660 O MET A 109 -17.048 0.782 -15.060 1.00 52.12 O ATOM 1661 CB MET A 109 -15.772 -0.399 -17.761 1.00 52.20 C ATOM 1662 CG MET A 109 -15.974 -1.529 -16.766 1.00 31.22 C ATOM 1663 SD MET A 109 -17.707 -1.990 -16.579 1.00 0.10 S ATOM 1664 CE MET A 109 -17.652 -2.900 -15.038 1.00 51.33 C ATOM 0 H MET A 109 -15.268 1.809 -18.784 1.00 13.13 H new ATOM 0 HA MET A 109 -17.608 0.698 -17.555 1.00 0.45 H new ATOM 0 HB2 MET A 109 -16.081 -0.737 -18.750 1.00 52.20 H new ATOM 0 HB3 MET A 109 -14.709 -0.165 -17.822 1.00 52.20 H new ATOM 0 HG2 MET A 109 -15.404 -2.399 -17.090 1.00 31.22 H new ATOM 0 HG3 MET A 109 -15.575 -1.230 -15.797 1.00 31.22 H new ATOM 0 HE1 MET A 109 -18.605 -2.795 -14.519 1.00 51.33 H new ATOM 0 HE2 MET A 109 -17.466 -3.954 -15.244 1.00 51.33 H new ATOM 0 HE3 MET A 109 -16.852 -2.506 -14.411 1.00 51.33 H new ATOM 1674 N TYR A 110 -15.288 2.035 -15.685 1.00 70.11 N ATOM 1675 CA TYR A 110 -14.959 2.447 -14.326 1.00 34.02 C ATOM 1676 C TYR A 110 -16.139 3.159 -13.672 1.00 15.23 C ATOM 1677 O TYR A 110 -16.514 2.854 -12.540 1.00 13.31 O ATOM 1678 CB TYR A 110 -13.734 3.363 -14.330 1.00 11.12 C ATOM 1679 CG TYR A 110 -13.272 3.762 -12.947 1.00 71.31 C ATOM 1680 CD1 TYR A 110 -13.827 4.857 -12.295 1.00 50.43 C ATOM 1681 CD2 TYR A 110 -12.278 3.045 -12.291 1.00 74.14 C ATOM 1682 CE1 TYR A 110 -13.407 5.225 -11.032 1.00 51.23 C ATOM 1683 CE2 TYR A 110 -11.853 3.405 -11.027 1.00 43.22 C ATOM 1684 CZ TYR A 110 -12.420 4.496 -10.402 1.00 11.02 C ATOM 1685 OH TYR A 110 -11.999 4.859 -9.144 1.00 20.31 O ATOM 0 H TYR A 110 -14.670 2.415 -16.402 1.00 70.11 H new ATOM 0 HA TYR A 110 -14.732 1.552 -13.747 1.00 34.02 H new ATOM 0 HB2 TYR A 110 -12.916 2.860 -14.846 1.00 11.12 H new ATOM 0 HB3 TYR A 110 -13.965 4.263 -14.900 1.00 11.12 H new ATOM 0 HD1 TYR A 110 -14.600 5.430 -12.785 1.00 50.43 H new ATOM 0 HD2 TYR A 110 -11.830 2.191 -12.778 1.00 74.14 H new ATOM 0 HE1 TYR A 110 -13.849 6.079 -10.540 1.00 51.23 H new ATOM 0 HE2 TYR A 110 -11.081 2.835 -10.531 1.00 43.22 H new ATOM 0 HH TYR A 110 -11.042 5.068 -9.167 1.00 20.31 H new ATOM 1695 N SER A 111 -16.720 4.112 -14.395 1.00 50.22 N ATOM 1696 CA SER A 111 -17.857 4.871 -13.886 1.00 2.35 C ATOM 1697 C SER A 111 -19.157 4.097 -14.075 1.00 73.24 C ATOM 1698 O SER A 111 -20.081 4.209 -13.269 1.00 3.42 O ATOM 1699 CB SER A 111 -17.949 6.225 -14.592 1.00 1.43 C ATOM 1700 OG SER A 111 -16.788 6.478 -15.366 1.00 14.00 O ATOM 0 H SER A 111 -16.422 4.377 -15.334 1.00 50.22 H new ATOM 0 HA SER A 111 -17.705 5.034 -12.819 1.00 2.35 H new ATOM 0 HB2 SER A 111 -18.829 6.244 -15.234 1.00 1.43 H new ATOM 0 HB3 SER A 111 -18.076 7.016 -13.853 1.00 1.43 H new ATOM 0 HG SER A 111 -16.873 7.348 -15.808 1.00 14.00 H new ATOM 1706 N GLN A 112 -19.220 3.310 -15.144 1.00 73.23 N ATOM 1707 CA GLN A 112 -20.407 2.516 -15.439 1.00 22.42 C ATOM 1708 C GLN A 112 -20.683 1.513 -14.324 1.00 24.40 C ATOM 1709 O GLN A 112 -21.824 1.106 -14.110 1.00 12.24 O ATOM 1710 CB GLN A 112 -20.238 1.783 -16.771 1.00 71.30 C ATOM 1711 CG GLN A 112 -21.438 0.933 -17.155 1.00 11.44 C ATOM 1712 CD GLN A 112 -22.697 1.756 -17.347 1.00 54.04 C ATOM 1713 OE1 GLN A 112 -22.649 2.880 -17.845 1.00 22.43 O ATOM 1714 NE2 GLN A 112 -23.836 1.196 -16.951 1.00 30.13 N ATOM 0 H GLN A 112 -18.463 3.205 -15.820 1.00 73.23 H new ATOM 0 HA GLN A 112 -21.258 3.194 -15.511 1.00 22.42 H new ATOM 0 HB2 GLN A 112 -20.055 2.515 -17.558 1.00 71.30 H new ATOM 0 HB3 GLN A 112 -19.355 1.146 -16.716 1.00 71.30 H new ATOM 0 HG2 GLN A 112 -21.217 0.394 -18.076 1.00 11.44 H new ATOM 0 HG3 GLN A 112 -21.612 0.185 -16.381 1.00 11.44 H new ATOM 0 HE21 GLN A 112 -23.830 0.261 -16.543 1.00 30.13 H new ATOM 0 HE22 GLN A 112 -24.716 1.701 -17.055 1.00 30.13 H new ATOM 1723 N MET A 113 -19.628 1.117 -13.618 1.00 53.14 N ATOM 1724 CA MET A 113 -19.757 0.160 -12.524 1.00 2.25 C ATOM 1725 C MET A 113 -20.143 0.867 -11.229 1.00 75.53 C ATOM 1726 O MET A 113 -20.690 0.251 -10.313 1.00 44.22 O ATOM 1727 CB MET A 113 -18.447 -0.605 -12.330 1.00 1.21 C ATOM 1728 CG MET A 113 -18.527 -1.687 -11.265 1.00 3.12 C ATOM 1729 SD MET A 113 -17.470 -3.101 -11.631 1.00 24.43 S ATOM 1730 CE MET A 113 -16.120 -2.819 -10.487 1.00 14.12 C ATOM 0 H MET A 113 -18.676 1.443 -13.783 1.00 53.14 H new ATOM 0 HA MET A 113 -20.546 -0.546 -12.782 1.00 2.25 H new ATOM 0 HB2 MET A 113 -18.158 -1.060 -13.277 1.00 1.21 H new ATOM 0 HB3 MET A 113 -17.660 0.100 -12.062 1.00 1.21 H new ATOM 0 HG2 MET A 113 -18.242 -1.265 -10.301 1.00 3.12 H new ATOM 0 HG3 MET A 113 -19.559 -2.024 -11.172 1.00 3.12 H new ATOM 0 HE1 MET A 113 -15.381 -3.613 -10.593 1.00 14.12 H new ATOM 0 HE2 MET A 113 -15.654 -1.858 -10.704 1.00 14.12 H new ATOM 0 HE3 MET A 113 -16.503 -2.814 -9.467 1.00 14.12 H new ATOM 1740 N GLY A 114 -19.855 2.162 -11.157 1.00 13.23 N ATOM 1741 CA GLY A 114 -20.179 2.930 -9.968 1.00 3.41 C ATOM 1742 C GLY A 114 -18.951 3.284 -9.154 1.00 0.02 C ATOM 1743 O GLY A 114 -19.037 3.488 -7.942 1.00 72.21 O ATOM 0 H GLY A 114 -19.403 2.694 -11.901 1.00 13.23 H new ATOM 0 HA2 GLY A 114 -20.694 3.845 -10.260 1.00 3.41 H new ATOM 0 HA3 GLY A 114 -20.870 2.359 -9.348 1.00 3.41 H new