USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 824 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 109 MET CE :methyl -146:sc= -0.0356 (180deg=0) USER MOD Set 1.2: A 113 MET CE :methyl -123:sc= -0.0865 (180deg=-0.0126) USER MOD Set 2.1: A 56 THR OG1 : rot 162:sc= -1.44 USER MOD Set 2.2: A 59 GLN :FLIP amide:sc= -0.998 F(o=-3.4,f=-2.4) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -23:sc= 0.788 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0383 X(o=-0.038,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= -0.0285 X(o=-0.029,f=-0.029) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.8!) USER MOD Single : A 45 SER OG : rot 94:sc= 0.843 USER MOD Single : A 46 THR OG1 : rot -15:sc= 0.285 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc=-0.00978 X(o=-0.0098,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 25:sc= 0.312 USER MOD Single : A 77 SER OG : rot 180:sc= 0.245 USER MOD Single : A 78 LYS NZ :NH3+ -157:sc= -0.0295 (180deg=-0.248) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 60:sc= 1.14 USER MOD Single : A 88 LYS NZ :NH3+ 154:sc= -0.324 (180deg=-0.942) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 TYR OH : rot 30:sc= -0.415 USER MOD Single : A 111 SER OG : rot 75:sc= 0.00955 USER MOD Single : A 112 GLN : amide:sc= -0.0682 X(o=-0.068,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 46 N GLY A 6 2.937 3.967 -9.715 1.00 14.34 N ATOM 47 CA GLY A 6 2.146 3.116 -10.584 1.00 63.33 C ATOM 48 C GLY A 6 1.187 3.905 -11.453 1.00 64.03 C ATOM 49 O GLY A 6 1.216 5.136 -11.462 1.00 22.34 O ATOM 0 HA2 GLY A 6 2.812 2.533 -11.220 1.00 63.33 H new ATOM 0 HA3 GLY A 6 1.582 2.407 -9.978 1.00 63.33 H new ATOM 53 N ARG A 7 0.337 3.196 -12.188 1.00 34.01 N ATOM 54 CA ARG A 7 -0.633 3.838 -13.067 1.00 13.23 C ATOM 55 C ARG A 7 -1.503 4.822 -12.290 1.00 1.32 C ATOM 56 O ARG A 7 -1.773 5.930 -12.755 1.00 64.44 O ATOM 57 CB ARG A 7 -1.514 2.787 -13.744 1.00 34.10 C ATOM 58 CG ARG A 7 -2.181 1.831 -12.768 1.00 52.03 C ATOM 59 CD ARG A 7 -2.895 0.702 -13.495 1.00 24.54 C ATOM 60 NE ARG A 7 -3.865 1.201 -14.465 1.00 42.50 N ATOM 61 CZ ARG A 7 -5.045 1.710 -14.129 1.00 40.30 C ATOM 62 NH1 ARG A 7 -5.399 1.786 -12.854 1.00 1.44 N ATOM 63 NH2 ARG A 7 -5.874 2.145 -15.070 1.00 23.21 N ATOM 0 H ARG A 7 0.300 2.177 -12.192 1.00 34.01 H new ATOM 0 HA ARG A 7 -0.084 4.389 -13.831 1.00 13.23 H new ATOM 0 HB2 ARG A 7 -2.283 3.292 -14.328 1.00 34.10 H new ATOM 0 HB3 ARG A 7 -0.907 2.213 -14.444 1.00 34.10 H new ATOM 0 HG2 ARG A 7 -1.432 1.415 -12.095 1.00 52.03 H new ATOM 0 HG3 ARG A 7 -2.895 2.378 -12.152 1.00 52.03 H new ATOM 0 HD2 ARG A 7 -2.161 0.078 -14.005 1.00 24.54 H new ATOM 0 HD3 ARG A 7 -3.403 0.067 -12.769 1.00 24.54 H new ATOM 0 HE ARG A 7 -3.623 1.156 -15.455 1.00 42.50 H new ATOM 0 HH11 ARG A 7 -4.765 1.453 -12.128 1.00 1.44 H new ATOM 0 HH12 ARG A 7 -6.306 2.177 -12.599 1.00 1.44 H new ATOM 0 HH21 ARG A 7 -5.605 2.089 -16.052 1.00 23.21 H new ATOM 0 HH22 ARG A 7 -6.780 2.536 -14.811 1.00 23.21 H new ATOM 77 N ASP A 8 -1.939 4.410 -11.104 1.00 42.35 N ATOM 78 CA ASP A 8 -2.778 5.255 -10.262 1.00 44.33 C ATOM 79 C ASP A 8 -1.993 6.457 -9.745 1.00 24.31 C ATOM 80 O ASP A 8 -2.550 7.536 -9.547 1.00 34.04 O ATOM 81 CB ASP A 8 -3.334 4.449 -9.087 1.00 44.34 C ATOM 82 CG ASP A 8 -4.773 4.026 -9.305 1.00 61.03 C ATOM 83 OD1 ASP A 8 -5.601 4.894 -9.653 1.00 10.24 O ATOM 84 OD2 ASP A 8 -5.071 2.826 -9.129 1.00 52.45 O ATOM 0 H ASP A 8 -1.725 3.496 -10.704 1.00 42.35 H new ATOM 0 HA ASP A 8 -3.608 5.619 -10.867 1.00 44.33 H new ATOM 0 HB2 ASP A 8 -2.717 3.563 -8.933 1.00 44.34 H new ATOM 0 HB3 ASP A 8 -3.267 5.045 -8.177 1.00 44.34 H new ATOM 89 N TRP A 9 -0.697 6.261 -9.528 1.00 12.13 N ATOM 90 CA TRP A 9 0.164 7.329 -9.032 1.00 22.41 C ATOM 91 C TRP A 9 0.370 8.400 -10.097 1.00 3.45 C ATOM 92 O TRP A 9 0.004 9.560 -9.904 1.00 30.02 O ATOM 93 CB TRP A 9 1.515 6.760 -8.595 1.00 2.24 C ATOM 94 CG TRP A 9 2.239 7.635 -7.616 1.00 34.55 C ATOM 95 CD1 TRP A 9 3.520 8.095 -7.719 1.00 23.31 C ATOM 96 CD2 TRP A 9 1.723 8.152 -6.384 1.00 74.42 C ATOM 97 NE1 TRP A 9 3.832 8.867 -6.626 1.00 21.32 N ATOM 98 CE2 TRP A 9 2.746 8.918 -5.793 1.00 30.02 C ATOM 99 CE3 TRP A 9 0.495 8.044 -5.725 1.00 23.23 C ATOM 100 CZ2 TRP A 9 2.578 9.570 -4.574 1.00 54.12 C ATOM 101 CZ3 TRP A 9 0.330 8.691 -4.515 1.00 51.32 C ATOM 102 CH2 TRP A 9 1.366 9.447 -3.950 1.00 52.24 C ATOM 0 H TRP A 9 -0.220 5.374 -9.687 1.00 12.13 H new ATOM 0 HA TRP A 9 -0.325 7.787 -8.172 1.00 22.41 H new ATOM 0 HB2 TRP A 9 1.360 5.778 -8.148 1.00 2.24 H new ATOM 0 HB3 TRP A 9 2.142 6.615 -9.475 1.00 2.24 H new ATOM 0 HD1 TRP A 9 4.190 7.883 -8.539 1.00 23.31 H new ATOM 0 HE1 TRP A 9 4.727 9.327 -6.462 1.00 21.32 H new ATOM 0 HE3 TRP A 9 -0.310 7.466 -6.154 1.00 23.23 H new ATOM 0 HZ2 TRP A 9 3.376 10.152 -4.137 1.00 54.12 H new ATOM 0 HZ3 TRP A 9 -0.614 8.613 -3.996 1.00 51.32 H new ATOM 0 HH2 TRP A 9 1.205 9.942 -3.004 1.00 52.24 H new ATOM 113 N LYS A 10 0.959 8.006 -11.221 1.00 15.22 N ATOM 114 CA LYS A 10 1.212 8.933 -12.318 1.00 23.33 C ATOM 115 C LYS A 10 -0.075 9.627 -12.752 1.00 64.13 C ATOM 116 O LYS A 10 -0.077 10.822 -13.046 1.00 13.05 O ATOM 117 CB LYS A 10 1.831 8.192 -13.505 1.00 72.14 C ATOM 118 CG LYS A 10 2.666 9.082 -14.409 1.00 51.14 C ATOM 119 CD LYS A 10 4.104 8.600 -14.492 1.00 64.24 C ATOM 120 CE LYS A 10 4.830 8.779 -13.168 1.00 12.43 C ATOM 121 NZ LYS A 10 6.309 8.774 -13.340 1.00 50.21 N ATOM 0 H LYS A 10 1.270 7.051 -11.396 1.00 15.22 H new ATOM 0 HA LYS A 10 1.911 9.692 -11.966 1.00 23.33 H new ATOM 0 HB2 LYS A 10 2.455 7.381 -13.131 1.00 72.14 H new ATOM 0 HB3 LYS A 10 1.035 7.736 -14.093 1.00 72.14 H new ATOM 0 HG2 LYS A 10 2.229 9.100 -15.407 1.00 51.14 H new ATOM 0 HG3 LYS A 10 2.645 10.105 -14.034 1.00 51.14 H new ATOM 0 HD2 LYS A 10 4.120 7.548 -14.778 1.00 64.24 H new ATOM 0 HD3 LYS A 10 4.629 9.150 -15.273 1.00 64.24 H new ATOM 0 HE2 LYS A 10 4.521 9.718 -12.709 1.00 12.43 H new ATOM 0 HE3 LYS A 10 4.541 7.980 -12.485 1.00 12.43 H new ATOM 0 HZ1 LYS A 10 6.767 8.899 -12.414 1.00 50.21 H new ATOM 0 HZ2 LYS A 10 6.607 7.868 -13.755 1.00 50.21 H new ATOM 0 HZ3 LYS A 10 6.588 9.552 -13.971 1.00 50.21 H new ATOM 135 N MET A 11 -1.166 8.870 -12.790 1.00 33.10 N ATOM 136 CA MET A 11 -2.460 9.414 -13.186 1.00 41.21 C ATOM 137 C MET A 11 -2.947 10.449 -12.176 1.00 63.24 C ATOM 138 O MET A 11 -3.562 11.448 -12.546 1.00 13.33 O ATOM 139 CB MET A 11 -3.490 8.291 -13.320 1.00 52.34 C ATOM 140 CG MET A 11 -3.382 7.520 -14.626 1.00 11.31 C ATOM 141 SD MET A 11 -4.580 8.067 -15.857 1.00 54.51 S ATOM 142 CE MET A 11 -3.492 8.590 -17.180 1.00 70.32 C ATOM 0 H MET A 11 -1.180 7.878 -12.552 1.00 33.10 H new ATOM 0 HA MET A 11 -2.340 9.904 -14.152 1.00 41.21 H new ATOM 0 HB2 MET A 11 -3.370 7.598 -12.487 1.00 52.34 H new ATOM 0 HB3 MET A 11 -4.491 8.715 -13.240 1.00 52.34 H new ATOM 0 HG2 MET A 11 -2.376 7.634 -15.029 1.00 11.31 H new ATOM 0 HG3 MET A 11 -3.528 6.458 -14.429 1.00 11.31 H new ATOM 0 HE1 MET A 11 -4.087 8.956 -18.017 1.00 70.32 H new ATOM 0 HE2 MET A 11 -2.841 9.387 -16.822 1.00 70.32 H new ATOM 0 HE3 MET A 11 -2.886 7.746 -17.508 1.00 70.32 H new ATOM 152 N ALA A 12 -2.667 10.201 -10.901 1.00 1.51 N ATOM 153 CA ALA A 12 -3.075 11.113 -9.839 1.00 21.42 C ATOM 154 C ALA A 12 -2.410 12.476 -9.999 1.00 73.43 C ATOM 155 O ALA A 12 -3.061 13.513 -9.868 1.00 23.13 O ATOM 156 CB ALA A 12 -2.744 10.519 -8.478 1.00 24.42 C ATOM 0 H ALA A 12 -2.160 9.377 -10.578 1.00 1.51 H new ATOM 0 HA ALA A 12 -4.154 11.254 -9.910 1.00 21.42 H new ATOM 0 HB1 ALA A 12 -3.054 11.210 -7.694 1.00 24.42 H new ATOM 0 HB2 ALA A 12 -3.271 9.573 -8.356 1.00 24.42 H new ATOM 0 HB3 ALA A 12 -1.670 10.348 -8.407 1.00 24.42 H new ATOM 162 N ILE A 13 -1.112 12.466 -10.283 1.00 73.02 N ATOM 163 CA ILE A 13 -0.361 13.702 -10.462 1.00 23.03 C ATOM 164 C ILE A 13 -0.762 14.408 -11.752 1.00 55.30 C ATOM 165 O ILE A 13 -0.917 15.629 -11.783 1.00 4.43 O ATOM 166 CB ILE A 13 1.157 13.440 -10.484 1.00 72.12 C ATOM 167 CG1 ILE A 13 1.599 12.764 -9.185 1.00 1.45 C ATOM 168 CG2 ILE A 13 1.916 14.741 -10.696 1.00 50.13 C ATOM 169 CD1 ILE A 13 1.409 13.630 -7.959 1.00 32.03 C ATOM 0 H ILE A 13 -0.559 11.616 -10.394 1.00 73.02 H new ATOM 0 HA ILE A 13 -0.599 14.341 -9.612 1.00 23.03 H new ATOM 0 HB ILE A 13 1.383 12.771 -11.314 1.00 72.12 H new ATOM 0 HG12 ILE A 13 1.037 11.839 -9.057 1.00 1.45 H new ATOM 0 HG13 ILE A 13 2.651 12.490 -9.267 1.00 1.45 H new ATOM 0 HG21 ILE A 13 2.987 14.539 -10.709 1.00 50.13 H new ATOM 0 HG22 ILE A 13 1.619 15.185 -11.646 1.00 50.13 H new ATOM 0 HG23 ILE A 13 1.687 15.432 -9.885 1.00 50.13 H new ATOM 0 HD11 ILE A 13 1.743 13.087 -7.075 1.00 32.03 H new ATOM 0 HD12 ILE A 13 1.992 14.544 -8.066 1.00 32.03 H new ATOM 0 HD13 ILE A 13 0.354 13.883 -7.852 1.00 32.03 H new ATOM 181 N LYS A 14 -0.933 13.632 -12.817 1.00 23.23 N ATOM 182 CA LYS A 14 -1.320 14.181 -14.111 1.00 31.23 C ATOM 183 C LYS A 14 -2.717 14.789 -14.047 1.00 54.33 C ATOM 184 O LYS A 14 -2.993 15.803 -14.689 1.00 62.03 O ATOM 185 CB LYS A 14 -1.275 13.091 -15.184 1.00 50.23 C ATOM 186 CG LYS A 14 0.125 12.798 -15.695 1.00 21.33 C ATOM 187 CD LYS A 14 0.093 11.939 -16.948 1.00 3.11 C ATOM 188 CE LYS A 14 1.222 12.301 -17.901 1.00 3.44 C ATOM 189 NZ LYS A 14 2.538 11.800 -17.417 1.00 64.31 N ATOM 0 H LYS A 14 -0.809 12.620 -12.809 1.00 23.23 H new ATOM 0 HA LYS A 14 -0.612 14.968 -14.371 1.00 31.23 H new ATOM 0 HB2 LYS A 14 -1.703 12.175 -14.778 1.00 50.23 H new ATOM 0 HB3 LYS A 14 -1.903 13.392 -16.022 1.00 50.23 H new ATOM 0 HG2 LYS A 14 0.639 13.735 -15.908 1.00 21.33 H new ATOM 0 HG3 LYS A 14 0.698 12.290 -14.919 1.00 21.33 H new ATOM 0 HD2 LYS A 14 0.172 10.888 -16.672 1.00 3.11 H new ATOM 0 HD3 LYS A 14 -0.865 12.065 -17.453 1.00 3.11 H new ATOM 0 HE2 LYS A 14 1.014 11.883 -18.886 1.00 3.44 H new ATOM 0 HE3 LYS A 14 1.266 13.384 -18.017 1.00 3.44 H new ATOM 0 HZ1 LYS A 14 3.281 12.067 -18.094 1.00 64.31 H new ATOM 0 HZ2 LYS A 14 2.749 12.219 -16.489 1.00 64.31 H new ATOM 0 HZ3 LYS A 14 2.505 10.764 -17.330 1.00 64.31 H new ATOM 203 N ARG A 15 -3.595 14.165 -13.269 1.00 21.14 N ATOM 204 CA ARG A 15 -4.963 14.646 -13.121 1.00 74.45 C ATOM 205 C ARG A 15 -4.992 15.998 -12.416 1.00 3.23 C ATOM 206 O ARG A 15 -5.498 16.982 -12.957 1.00 72.42 O ATOM 207 CB ARG A 15 -5.801 13.633 -12.339 1.00 71.51 C ATOM 208 CG ARG A 15 -6.726 12.802 -13.214 1.00 11.22 C ATOM 209 CD ARG A 15 -5.942 11.899 -14.153 1.00 74.11 C ATOM 210 NE ARG A 15 -6.613 11.734 -15.440 1.00 61.10 N ATOM 211 CZ ARG A 15 -7.734 11.040 -15.601 1.00 12.21 C ATOM 212 NH1 ARG A 15 -8.308 10.450 -14.561 1.00 42.51 N ATOM 213 NH2 ARG A 15 -8.284 10.936 -16.804 1.00 34.31 N ATOM 0 H ARG A 15 -3.383 13.325 -12.731 1.00 21.14 H new ATOM 0 HA ARG A 15 -5.388 14.767 -14.118 1.00 74.45 H new ATOM 0 HB2 ARG A 15 -5.133 12.965 -11.794 1.00 71.51 H new ATOM 0 HB3 ARG A 15 -6.397 14.163 -11.596 1.00 71.51 H new ATOM 0 HG2 ARG A 15 -7.377 12.196 -12.584 1.00 11.22 H new ATOM 0 HG3 ARG A 15 -7.369 13.462 -13.795 1.00 11.22 H new ATOM 0 HD2 ARG A 15 -4.948 12.318 -14.313 1.00 74.11 H new ATOM 0 HD3 ARG A 15 -5.805 10.923 -13.687 1.00 74.11 H new ATOM 0 HE ARG A 15 -6.198 12.176 -16.260 1.00 61.10 H new ATOM 0 HH11 ARG A 15 -7.889 10.529 -13.635 1.00 42.51 H new ATOM 0 HH12 ARG A 15 -9.169 9.918 -14.688 1.00 42.51 H new ATOM 0 HH21 ARG A 15 -7.846 11.389 -17.606 1.00 34.31 H new ATOM 0 HH22 ARG A 15 -9.145 10.403 -16.927 1.00 34.31 H new ATOM 227 N CYS A 16 -4.446 16.040 -11.206 1.00 25.54 N ATOM 228 CA CYS A 16 -4.409 17.271 -10.425 1.00 12.03 C ATOM 229 C CYS A 16 -3.618 18.353 -11.152 1.00 51.15 C ATOM 230 O CYS A 16 -3.811 19.545 -10.912 1.00 73.25 O ATOM 231 CB CYS A 16 -3.793 17.010 -9.050 1.00 31.44 C ATOM 232 SG CYS A 16 -2.013 16.694 -9.086 1.00 51.31 S ATOM 0 H CYS A 16 -4.023 15.235 -10.744 1.00 25.54 H new ATOM 0 HA CYS A 16 -5.434 17.620 -10.296 1.00 12.03 H new ATOM 0 HB2 CYS A 16 -3.986 17.870 -8.408 1.00 31.44 H new ATOM 0 HB3 CYS A 16 -4.294 16.155 -8.596 1.00 31.44 H new ATOM 0 HG CYS A 16 -1.671 16.272 -10.267 1.00 51.31 H new ATOM 238 N SER A 17 -2.726 17.929 -12.042 1.00 5.34 N ATOM 239 CA SER A 17 -1.901 18.862 -12.801 1.00 24.13 C ATOM 240 C SER A 17 -2.768 19.872 -13.546 1.00 61.21 C ATOM 241 O SER A 17 -2.333 20.985 -13.836 1.00 41.31 O ATOM 242 CB SER A 17 -1.016 18.103 -13.791 1.00 44.14 C ATOM 243 OG SER A 17 -0.084 18.972 -14.412 1.00 24.22 O ATOM 0 H SER A 17 -2.556 16.946 -12.255 1.00 5.34 H new ATOM 0 HA SER A 17 -1.267 19.403 -12.099 1.00 24.13 H new ATOM 0 HB2 SER A 17 -0.484 17.306 -13.271 1.00 44.14 H new ATOM 0 HB3 SER A 17 -1.638 17.629 -14.550 1.00 44.14 H new ATOM 0 HG SER A 17 0.471 18.463 -15.039 1.00 24.22 H new ATOM 249 N ASN A 18 -3.998 19.473 -13.853 1.00 51.11 N ATOM 250 CA ASN A 18 -4.928 20.342 -14.565 1.00 43.24 C ATOM 251 C ASN A 18 -5.851 21.066 -13.590 1.00 52.35 C ATOM 252 O ASN A 18 -6.978 21.424 -13.935 1.00 20.54 O ATOM 253 CB ASN A 18 -5.756 19.529 -15.562 1.00 54.42 C ATOM 254 CG ASN A 18 -5.655 20.071 -16.975 1.00 74.21 C ATOM 255 OD1 ASN A 18 -5.356 19.334 -17.914 1.00 64.44 O ATOM 256 ND2 ASN A 18 -5.906 21.366 -17.132 1.00 22.53 N ATOM 0 H ASN A 18 -4.374 18.554 -13.620 1.00 51.11 H new ATOM 0 HA ASN A 18 -4.347 21.087 -15.108 1.00 43.24 H new ATOM 0 HB2 ASN A 18 -5.420 18.492 -15.549 1.00 54.42 H new ATOM 0 HB3 ASN A 18 -6.800 19.530 -15.249 1.00 54.42 H new ATOM 0 HD21 ASN A 18 -5.854 21.787 -18.060 1.00 22.53 H new ATOM 0 HD22 ASN A 18 -6.150 21.940 -16.325 1.00 22.53 H new ATOM 263 N VAL A 19 -5.365 21.280 -12.372 1.00 15.33 N ATOM 264 CA VAL A 19 -6.146 21.963 -11.347 1.00 2.32 C ATOM 265 C VAL A 19 -5.497 23.285 -10.952 1.00 51.21 C ATOM 266 O VAL A 19 -4.279 23.370 -10.801 1.00 22.45 O ATOM 267 CB VAL A 19 -6.309 21.088 -10.090 1.00 2.54 C ATOM 268 CG1 VAL A 19 -7.102 21.828 -9.023 1.00 54.24 C ATOM 269 CG2 VAL A 19 -6.977 19.768 -10.443 1.00 4.13 C ATOM 0 H VAL A 19 -4.435 20.991 -12.071 1.00 15.33 H new ATOM 0 HA VAL A 19 -7.129 22.158 -11.775 1.00 2.32 H new ATOM 0 HB VAL A 19 -5.319 20.872 -9.688 1.00 2.54 H new ATOM 0 HG11 VAL A 19 -7.207 21.194 -8.143 1.00 54.24 H new ATOM 0 HG12 VAL A 19 -6.578 22.744 -8.750 1.00 54.24 H new ATOM 0 HG13 VAL A 19 -8.090 22.077 -9.411 1.00 54.24 H new ATOM 0 HG21 VAL A 19 -7.084 19.162 -9.543 1.00 4.13 H new ATOM 0 HG22 VAL A 19 -7.961 19.961 -10.870 1.00 4.13 H new ATOM 0 HG23 VAL A 19 -6.365 19.233 -11.169 1.00 4.13 H new ATOM 279 N ALA A 20 -6.320 24.316 -10.787 1.00 20.33 N ATOM 280 CA ALA A 20 -5.827 25.634 -10.407 1.00 21.31 C ATOM 281 C ALA A 20 -5.688 25.753 -8.893 1.00 22.40 C ATOM 282 O ALA A 20 -6.640 25.512 -8.151 1.00 54.01 O ATOM 283 CB ALA A 20 -6.752 26.717 -10.941 1.00 11.34 C ATOM 0 H ALA A 20 -7.331 24.263 -10.911 1.00 20.33 H new ATOM 0 HA ALA A 20 -4.839 25.766 -10.847 1.00 21.31 H new ATOM 0 HB1 ALA A 20 -6.372 27.696 -10.650 1.00 11.34 H new ATOM 0 HB2 ALA A 20 -6.797 26.654 -12.028 1.00 11.34 H new ATOM 0 HB3 ALA A 20 -7.751 26.578 -10.528 1.00 11.34 H new ATOM 289 N VAL A 21 -4.495 26.124 -8.440 1.00 44.53 N ATOM 290 CA VAL A 21 -4.231 26.276 -7.014 1.00 70.43 C ATOM 291 C VAL A 21 -4.427 27.720 -6.569 1.00 52.42 C ATOM 292 O VAL A 21 -3.899 28.142 -5.541 1.00 65.34 O ATOM 293 CB VAL A 21 -2.800 25.830 -6.658 1.00 35.24 C ATOM 294 CG1 VAL A 21 -2.654 24.325 -6.821 1.00 23.32 C ATOM 295 CG2 VAL A 21 -1.783 26.569 -7.514 1.00 75.11 C ATOM 0 H VAL A 21 -3.695 26.325 -9.040 1.00 44.53 H new ATOM 0 HA VAL A 21 -4.944 25.638 -6.491 1.00 70.43 H new ATOM 0 HB VAL A 21 -2.610 26.078 -5.614 1.00 35.24 H new ATOM 0 HG11 VAL A 21 -1.637 24.028 -6.565 1.00 23.32 H new ATOM 0 HG12 VAL A 21 -3.357 23.818 -6.160 1.00 23.32 H new ATOM 0 HG13 VAL A 21 -2.863 24.049 -7.854 1.00 23.32 H new ATOM 0 HG21 VAL A 21 -0.778 26.241 -7.249 1.00 75.11 H new ATOM 0 HG22 VAL A 21 -1.969 26.355 -8.566 1.00 75.11 H new ATOM 0 HG23 VAL A 21 -1.873 27.641 -7.341 1.00 75.11 H new ATOM 375 N LYS A 28 -0.795 28.781 -12.895 1.00 22.34 N ATOM 376 CA LYS A 28 -0.480 28.285 -11.560 1.00 74.31 C ATOM 377 C LYS A 28 -1.280 27.024 -11.246 1.00 4.12 C ATOM 378 O LYS A 28 -2.147 27.028 -10.372 1.00 53.03 O ATOM 379 CB LYS A 28 -0.772 29.361 -10.512 1.00 30.22 C ATOM 380 CG LYS A 28 0.260 30.474 -10.480 1.00 4.43 C ATOM 381 CD LYS A 28 -0.058 31.499 -9.403 1.00 65.25 C ATOM 382 CE LYS A 28 0.006 32.917 -9.948 1.00 51.52 C ATOM 383 NZ LYS A 28 -1.222 33.274 -10.712 1.00 21.21 N ATOM 0 HA LYS A 28 0.581 28.038 -11.532 1.00 74.31 H new ATOM 0 HB2 LYS A 28 -1.753 29.792 -10.710 1.00 30.22 H new ATOM 0 HB3 LYS A 28 -0.821 28.894 -9.528 1.00 30.22 H new ATOM 0 HG2 LYS A 28 1.248 30.050 -10.300 1.00 4.43 H new ATOM 0 HG3 LYS A 28 0.296 30.966 -11.452 1.00 4.43 H new ATOM 0 HD2 LYS A 28 -1.052 31.308 -8.999 1.00 65.25 H new ATOM 0 HD3 LYS A 28 0.647 31.393 -8.578 1.00 65.25 H new ATOM 0 HE2 LYS A 28 0.137 33.617 -9.123 1.00 51.52 H new ATOM 0 HE3 LYS A 28 0.878 33.019 -10.594 1.00 51.52 H new ATOM 0 HZ1 LYS A 28 -1.139 34.248 -11.067 1.00 21.21 H new ATOM 0 HZ2 LYS A 28 -1.334 32.622 -11.514 1.00 21.21 H new ATOM 0 HZ3 LYS A 28 -2.052 33.202 -10.089 1.00 21.21 H new ATOM 397 N LYS A 29 -0.981 25.946 -11.962 1.00 61.33 N ATOM 398 CA LYS A 29 -1.669 24.676 -11.759 1.00 0.44 C ATOM 399 C LYS A 29 -0.956 23.834 -10.706 1.00 64.53 C ATOM 400 O LYS A 29 0.066 24.244 -10.156 1.00 44.11 O ATOM 401 CB LYS A 29 -1.754 23.902 -13.076 1.00 33.12 C ATOM 402 CG LYS A 29 -0.434 23.285 -13.506 1.00 14.55 C ATOM 403 CD LYS A 29 -0.344 23.159 -15.017 1.00 61.20 C ATOM 404 CE LYS A 29 -0.075 24.504 -15.674 1.00 10.00 C ATOM 405 NZ LYS A 29 1.172 24.485 -16.487 1.00 62.43 N ATOM 0 H LYS A 29 -0.266 25.926 -12.689 1.00 61.33 H new ATOM 0 HA LYS A 29 -2.678 24.890 -11.406 1.00 0.44 H new ATOM 0 HB2 LYS A 29 -2.499 23.113 -12.976 1.00 33.12 H new ATOM 0 HB3 LYS A 29 -2.104 24.573 -13.860 1.00 33.12 H new ATOM 0 HG2 LYS A 29 0.391 23.897 -13.141 1.00 14.55 H new ATOM 0 HG3 LYS A 29 -0.326 22.301 -13.051 1.00 14.55 H new ATOM 0 HD2 LYS A 29 0.451 22.460 -15.278 1.00 61.20 H new ATOM 0 HD3 LYS A 29 -1.274 22.743 -15.404 1.00 61.20 H new ATOM 0 HE2 LYS A 29 -0.919 24.773 -16.310 1.00 10.00 H new ATOM 0 HE3 LYS A 29 0.004 25.274 -14.906 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 1.320 25.420 -16.918 1.00 62.43 H new ATOM 0 HZ2 LYS A 29 1.981 24.254 -15.876 1.00 62.43 H new ATOM 0 HZ3 LYS A 29 1.087 23.768 -17.236 1.00 62.43 H new ATOM 419 N PHE A 30 -1.500 22.653 -10.432 1.00 60.41 N ATOM 420 CA PHE A 30 -0.915 21.752 -9.446 1.00 61.40 C ATOM 421 C PHE A 30 0.303 21.034 -10.020 1.00 42.01 C ATOM 422 O PHE A 30 0.362 20.746 -11.215 1.00 1.52 O ATOM 423 CB PHE A 30 -1.952 20.727 -8.981 1.00 51.32 C ATOM 424 CG PHE A 30 -2.071 20.630 -7.487 1.00 51.40 C ATOM 425 CD1 PHE A 30 -1.089 20.001 -6.740 1.00 21.31 C ATOM 426 CD2 PHE A 30 -3.166 21.169 -6.830 1.00 23.23 C ATOM 427 CE1 PHE A 30 -1.195 19.910 -5.365 1.00 11.13 C ATOM 428 CE2 PHE A 30 -3.277 21.082 -5.455 1.00 31.31 C ATOM 429 CZ PHE A 30 -2.291 20.451 -4.722 1.00 33.54 C ATOM 0 H PHE A 30 -2.345 22.298 -10.879 1.00 60.41 H new ATOM 0 HA PHE A 30 -0.595 22.348 -8.592 1.00 61.40 H new ATOM 0 HB2 PHE A 30 -2.924 20.990 -9.399 1.00 51.32 H new ATOM 0 HB3 PHE A 30 -1.688 19.748 -9.381 1.00 51.32 H new ATOM 0 HD1 PHE A 30 -0.230 19.576 -7.238 1.00 21.31 H new ATOM 0 HD2 PHE A 30 -3.941 21.662 -7.398 1.00 23.23 H new ATOM 0 HE1 PHE A 30 -0.422 19.417 -4.794 1.00 11.13 H new ATOM 0 HE2 PHE A 30 -4.134 21.507 -4.954 1.00 31.31 H new ATOM 0 HZ PHE A 30 -2.377 20.381 -3.648 1.00 33.54 H new ATOM 439 N GLY A 31 1.275 20.748 -9.159 1.00 10.34 N ATOM 440 CA GLY A 31 2.479 20.068 -9.598 1.00 22.33 C ATOM 441 C GLY A 31 2.869 18.927 -8.678 1.00 54.23 C ATOM 442 O GLY A 31 2.322 18.790 -7.585 1.00 20.35 O ATOM 0 H GLY A 31 1.250 20.975 -8.165 1.00 10.34 H new ATOM 0 HA2 GLY A 31 2.328 19.682 -10.606 1.00 22.33 H new ATOM 0 HA3 GLY A 31 3.299 20.785 -9.651 1.00 22.33 H new ATOM 446 N GLU A 32 3.815 18.107 -9.124 1.00 33.51 N ATOM 447 CA GLU A 32 4.274 16.971 -8.333 1.00 60.43 C ATOM 448 C GLU A 32 5.007 17.441 -7.080 1.00 63.33 C ATOM 449 O GLU A 32 4.799 16.910 -5.990 1.00 50.11 O ATOM 450 CB GLU A 32 5.192 16.077 -9.170 1.00 21.35 C ATOM 451 CG GLU A 32 6.381 16.812 -9.765 1.00 11.55 C ATOM 452 CD GLU A 32 6.741 16.314 -11.151 1.00 11.52 C ATOM 453 OE1 GLU A 32 7.402 15.259 -11.248 1.00 42.43 O ATOM 454 OE2 GLU A 32 6.362 16.979 -12.138 1.00 1.24 O ATOM 0 H GLU A 32 4.278 18.208 -10.027 1.00 33.51 H new ATOM 0 HA GLU A 32 3.400 16.397 -8.027 1.00 60.43 H new ATOM 0 HB2 GLU A 32 5.556 15.260 -8.547 1.00 21.35 H new ATOM 0 HB3 GLU A 32 4.612 15.629 -9.977 1.00 21.35 H new ATOM 0 HG2 GLU A 32 6.158 17.878 -9.813 1.00 11.55 H new ATOM 0 HG3 GLU A 32 7.242 16.696 -9.106 1.00 11.55 H new ATOM 461 N GLY A 33 5.868 18.441 -7.245 1.00 71.23 N ATOM 462 CA GLY A 33 6.620 18.966 -6.121 1.00 31.45 C ATOM 463 C GLY A 33 5.722 19.489 -5.017 1.00 24.55 C ATOM 464 O GLY A 33 5.936 19.193 -3.842 1.00 1.03 O ATOM 0 H GLY A 33 6.058 18.897 -8.138 1.00 71.23 H new ATOM 0 HA2 GLY A 33 7.264 18.183 -5.721 1.00 31.45 H new ATOM 0 HA3 GLY A 33 7.271 19.769 -6.467 1.00 31.45 H new ATOM 468 N ASN A 34 4.716 20.270 -5.395 1.00 34.54 N ATOM 469 CA ASN A 34 3.784 20.837 -4.427 1.00 14.00 C ATOM 470 C ASN A 34 3.028 19.736 -3.689 1.00 74.05 C ATOM 471 O ASN A 34 2.874 19.784 -2.469 1.00 22.22 O ATOM 472 CB ASN A 34 2.793 21.770 -5.128 1.00 25.43 C ATOM 473 CG ASN A 34 3.487 22.887 -5.884 1.00 30.55 C ATOM 474 OD1 ASN A 34 3.644 22.822 -7.103 1.00 32.11 O ATOM 475 ND2 ASN A 34 3.906 23.918 -5.160 1.00 44.45 N ATOM 0 H ASN A 34 4.525 20.525 -6.364 1.00 34.54 H new ATOM 0 HA ASN A 34 4.359 21.409 -3.699 1.00 14.00 H new ATOM 0 HB2 ASN A 34 2.181 21.192 -5.820 1.00 25.43 H new ATOM 0 HB3 ASN A 34 2.118 22.200 -4.388 1.00 25.43 H new ATOM 0 HD21 ASN A 34 4.380 24.700 -5.612 1.00 44.45 H new ATOM 0 HD22 ASN A 34 3.754 23.928 -4.151 1.00 44.45 H new ATOM 482 N PHE A 35 2.558 18.744 -4.439 1.00 14.30 N ATOM 483 CA PHE A 35 1.817 17.631 -3.857 1.00 62.10 C ATOM 484 C PHE A 35 2.618 16.971 -2.738 1.00 70.34 C ATOM 485 O PHE A 35 2.078 16.653 -1.679 1.00 23.24 O ATOM 486 CB PHE A 35 1.477 16.599 -4.934 1.00 22.50 C ATOM 487 CG PHE A 35 0.962 15.301 -4.379 1.00 41.24 C ATOM 488 CD1 PHE A 35 -0.200 15.268 -3.625 1.00 25.41 C ATOM 489 CD2 PHE A 35 1.640 14.115 -4.612 1.00 51.31 C ATOM 490 CE1 PHE A 35 -0.677 14.075 -3.113 1.00 45.44 C ATOM 491 CE2 PHE A 35 1.168 12.920 -4.104 1.00 15.25 C ATOM 492 CZ PHE A 35 0.009 12.900 -3.352 1.00 54.32 C ATOM 0 H PHE A 35 2.677 18.688 -5.450 1.00 14.30 H new ATOM 0 HA PHE A 35 0.892 18.023 -3.435 1.00 62.10 H new ATOM 0 HB2 PHE A 35 0.729 17.020 -5.606 1.00 22.50 H new ATOM 0 HB3 PHE A 35 2.367 16.402 -5.531 1.00 22.50 H new ATOM 0 HD1 PHE A 35 -0.739 16.184 -3.435 1.00 25.41 H new ATOM 0 HD2 PHE A 35 2.548 14.125 -5.197 1.00 51.31 H new ATOM 0 HE1 PHE A 35 -1.584 14.062 -2.527 1.00 45.44 H new ATOM 0 HE2 PHE A 35 1.705 12.002 -4.295 1.00 15.25 H new ATOM 0 HZ PHE A 35 -0.360 11.967 -2.952 1.00 54.32 H new ATOM 502 N ARG A 36 3.908 16.767 -2.983 1.00 43.42 N ATOM 503 CA ARG A 36 4.784 16.144 -1.998 1.00 73.43 C ATOM 504 C ARG A 36 4.862 16.987 -0.729 1.00 33.31 C ATOM 505 O ARG A 36 4.615 16.494 0.372 1.00 75.44 O ATOM 506 CB ARG A 36 6.185 15.949 -2.581 1.00 32.43 C ATOM 507 CG ARG A 36 6.186 15.355 -3.980 1.00 35.22 C ATOM 508 CD ARG A 36 7.055 14.110 -4.056 1.00 64.21 C ATOM 509 NE ARG A 36 7.508 13.841 -5.418 1.00 43.23 N ATOM 510 CZ ARG A 36 8.037 12.685 -5.802 1.00 64.23 C ATOM 511 NH1 ARG A 36 8.179 11.695 -4.932 1.00 12.15 N ATOM 512 NH2 ARG A 36 8.426 12.517 -7.060 1.00 32.41 N ATOM 0 H ARG A 36 4.370 17.024 -3.855 1.00 43.42 H new ATOM 0 HA ARG A 36 4.366 15.171 -1.741 1.00 73.43 H new ATOM 0 HB2 ARG A 36 6.697 16.911 -2.604 1.00 32.43 H new ATOM 0 HB3 ARG A 36 6.757 15.299 -1.919 1.00 32.43 H new ATOM 0 HG2 ARG A 36 5.166 15.106 -4.271 1.00 35.22 H new ATOM 0 HG3 ARG A 36 6.549 16.097 -4.691 1.00 35.22 H new ATOM 0 HD2 ARG A 36 7.920 14.231 -3.404 1.00 64.21 H new ATOM 0 HD3 ARG A 36 6.493 13.253 -3.685 1.00 64.21 H new ATOM 0 HE ARG A 36 7.413 14.582 -6.113 1.00 43.23 H new ATOM 0 HH11 ARG A 36 7.882 11.820 -3.964 1.00 12.15 H new ATOM 0 HH12 ARG A 36 8.586 10.808 -5.230 1.00 12.15 H new ATOM 0 HH21 ARG A 36 8.319 13.276 -7.733 1.00 32.41 H new ATOM 0 HH22 ARG A 36 8.832 11.629 -7.354 1.00 32.41 H new ATOM 526 N TRP A 37 5.207 18.259 -0.890 1.00 62.24 N ATOM 527 CA TRP A 37 5.318 19.170 0.243 1.00 44.32 C ATOM 528 C TRP A 37 4.044 19.155 1.080 1.00 4.53 C ATOM 529 O TRP A 37 4.086 19.361 2.293 1.00 74.31 O ATOM 530 CB TRP A 37 5.606 20.591 -0.245 1.00 61.03 C ATOM 531 CG TRP A 37 5.458 21.629 0.826 1.00 22.41 C ATOM 532 CD1 TRP A 37 6.458 22.186 1.571 1.00 41.03 C ATOM 533 CD2 TRP A 37 4.239 22.231 1.273 1.00 33.23 C ATOM 534 NE1 TRP A 37 5.934 23.099 2.454 1.00 34.40 N ATOM 535 CE2 TRP A 37 4.574 23.145 2.291 1.00 44.21 C ATOM 536 CE3 TRP A 37 2.896 22.088 0.912 1.00 44.20 C ATOM 537 CZ2 TRP A 37 3.616 23.910 2.950 1.00 54.45 C ATOM 538 CZ3 TRP A 37 1.946 22.848 1.567 1.00 50.21 C ATOM 539 CH2 TRP A 37 2.309 23.750 2.576 1.00 40.44 C ATOM 0 H TRP A 37 5.415 18.683 -1.794 1.00 62.24 H new ATOM 0 HA TRP A 37 6.145 18.834 0.868 1.00 44.32 H new ATOM 0 HB2 TRP A 37 6.620 20.632 -0.643 1.00 61.03 H new ATOM 0 HB3 TRP A 37 4.931 20.829 -1.067 1.00 61.03 H new ATOM 0 HD1 TRP A 37 7.507 21.944 1.479 1.00 41.03 H new ATOM 0 HE1 TRP A 37 6.470 23.653 3.122 1.00 34.40 H new ATOM 0 HE3 TRP A 37 2.606 21.396 0.135 1.00 44.20 H new ATOM 0 HZ2 TRP A 37 3.894 24.605 3.729 1.00 54.45 H new ATOM 0 HZ3 TRP A 37 0.905 22.745 1.297 1.00 50.21 H new ATOM 0 HH2 TRP A 37 1.543 24.330 3.068 1.00 40.44 H new ATOM 550 N ALA A 38 2.914 18.911 0.426 1.00 52.33 N ATOM 551 CA ALA A 38 1.628 18.868 1.111 1.00 23.44 C ATOM 552 C ALA A 38 1.401 17.509 1.766 1.00 2.32 C ATOM 553 O ALA A 38 1.324 17.405 2.991 1.00 53.52 O ATOM 554 CB ALA A 38 0.501 19.182 0.139 1.00 12.24 C ATOM 0 H ALA A 38 2.863 18.740 -0.578 1.00 52.33 H new ATOM 0 HA ALA A 38 1.637 19.624 1.896 1.00 23.44 H new ATOM 0 HB1 ALA A 38 -0.453 19.146 0.665 1.00 12.24 H new ATOM 0 HB2 ALA A 38 0.648 20.178 -0.279 1.00 12.24 H new ATOM 0 HB3 ALA A 38 0.500 18.447 -0.666 1.00 12.24 H new ATOM 560 N ILE A 39 1.295 16.471 0.943 1.00 12.54 N ATOM 561 CA ILE A 39 1.077 15.120 1.444 1.00 70.23 C ATOM 562 C ILE A 39 2.080 14.770 2.538 1.00 52.40 C ATOM 563 O ILE A 39 1.761 14.040 3.476 1.00 32.12 O ATOM 564 CB ILE A 39 1.182 14.078 0.315 1.00 64.25 C ATOM 565 CG1 ILE A 39 0.766 12.697 0.825 1.00 70.21 C ATOM 566 CG2 ILE A 39 2.599 14.039 -0.240 1.00 33.23 C ATOM 567 CD1 ILE A 39 0.364 11.741 -0.277 1.00 12.52 C ATOM 0 H ILE A 39 1.357 16.540 -0.073 1.00 12.54 H new ATOM 0 HA ILE A 39 0.069 15.096 1.858 1.00 70.23 H new ATOM 0 HB ILE A 39 0.505 14.366 -0.489 1.00 64.25 H new ATOM 0 HG12 ILE A 39 1.592 12.263 1.388 1.00 70.21 H new ATOM 0 HG13 ILE A 39 -0.067 12.811 1.518 1.00 70.21 H new ATOM 0 HG21 ILE A 39 2.657 13.298 -1.037 1.00 33.23 H new ATOM 0 HG22 ILE A 39 2.862 15.020 -0.637 1.00 33.23 H new ATOM 0 HG23 ILE A 39 3.294 13.771 0.556 1.00 33.23 H new ATOM 0 HD11 ILE A 39 0.082 10.782 0.158 1.00 12.52 H new ATOM 0 HD12 ILE A 39 -0.482 12.154 -0.826 1.00 12.52 H new ATOM 0 HD13 ILE A 39 1.203 11.597 -0.958 1.00 12.52 H new ATOM 579 N ARG A 40 3.293 15.298 2.412 1.00 51.42 N ATOM 580 CA ARG A 40 4.343 15.043 3.390 1.00 31.14 C ATOM 581 C ARG A 40 4.114 15.859 4.659 1.00 42.40 C ATOM 582 O ARG A 40 4.042 15.310 5.758 1.00 43.02 O ATOM 583 CB ARG A 40 5.714 15.375 2.798 1.00 74.33 C ATOM 584 CG ARG A 40 6.876 14.821 3.605 1.00 44.11 C ATOM 585 CD ARG A 40 8.108 14.615 2.738 1.00 64.44 C ATOM 586 NE ARG A 40 9.340 14.951 3.447 1.00 72.00 N ATOM 587 CZ ARG A 40 10.550 14.606 3.022 1.00 3.13 C ATOM 588 NH1 ARG A 40 10.691 13.919 1.897 1.00 32.22 N ATOM 589 NH2 ARG A 40 11.623 14.949 3.723 1.00 4.22 N ATOM 0 H ARG A 40 3.573 15.905 1.642 1.00 51.42 H new ATOM 0 HA ARG A 40 4.314 13.985 3.649 1.00 31.14 H new ATOM 0 HB2 ARG A 40 5.767 14.981 1.783 1.00 74.33 H new ATOM 0 HB3 ARG A 40 5.817 16.458 2.726 1.00 74.33 H new ATOM 0 HG2 ARG A 40 7.113 15.505 4.420 1.00 44.11 H new ATOM 0 HG3 ARG A 40 6.586 13.873 4.059 1.00 44.11 H new ATOM 0 HD2 ARG A 40 8.151 13.576 2.410 1.00 64.44 H new ATOM 0 HD3 ARG A 40 8.027 15.229 1.841 1.00 64.44 H new ATOM 0 HE ARG A 40 9.267 15.480 4.316 1.00 72.00 H new ATOM 0 HH11 ARG A 40 9.869 13.654 1.355 1.00 32.22 H new ATOM 0 HH12 ARG A 40 11.622 13.656 1.573 1.00 32.22 H new ATOM 0 HH21 ARG A 40 11.519 15.478 4.589 1.00 4.22 H new ATOM 0 HH22 ARG A 40 12.552 14.684 3.396 1.00 4.22 H new ATOM 603 N MET A 41 4.001 17.174 4.498 1.00 22.21 N ATOM 604 CA MET A 41 3.780 18.066 5.631 1.00 60.35 C ATOM 605 C MET A 41 2.551 17.639 6.426 1.00 15.23 C ATOM 606 O MET A 41 2.529 17.738 7.653 1.00 72.42 O ATOM 607 CB MET A 41 3.614 19.508 5.147 1.00 60.53 C ATOM 608 CG MET A 41 3.365 20.501 6.270 1.00 34.42 C ATOM 609 SD MET A 41 4.646 21.764 6.377 1.00 2.35 S ATOM 610 CE MET A 41 4.907 21.832 8.148 1.00 4.22 C ATOM 0 H MET A 41 4.059 17.645 3.595 1.00 22.21 H new ATOM 0 HA MET A 41 4.651 18.008 6.284 1.00 60.35 H new ATOM 0 HB2 MET A 41 4.510 19.805 4.602 1.00 60.53 H new ATOM 0 HB3 MET A 41 2.783 19.553 4.443 1.00 60.53 H new ATOM 0 HG2 MET A 41 2.399 20.981 6.117 1.00 34.42 H new ATOM 0 HG3 MET A 41 3.308 19.965 7.218 1.00 34.42 H new ATOM 0 HE1 MET A 41 5.675 22.572 8.374 1.00 4.22 H new ATOM 0 HE2 MET A 41 3.977 22.112 8.642 1.00 4.22 H new ATOM 0 HE3 MET A 41 5.228 20.854 8.506 1.00 4.22 H new ATOM 620 N ALA A 42 1.529 17.166 5.720 1.00 20.12 N ATOM 621 CA ALA A 42 0.297 16.723 6.361 1.00 1.13 C ATOM 622 C ALA A 42 0.501 15.397 7.086 1.00 4.22 C ATOM 623 O ALA A 42 0.001 15.201 8.193 1.00 62.32 O ATOM 624 CB ALA A 42 -0.818 16.599 5.333 1.00 24.43 C ATOM 0 H ALA A 42 1.530 17.080 4.704 1.00 20.12 H new ATOM 0 HA ALA A 42 0.012 17.471 7.101 1.00 1.13 H new ATOM 0 HB1 ALA A 42 -1.732 16.267 5.826 1.00 24.43 H new ATOM 0 HB2 ALA A 42 -0.990 17.568 4.864 1.00 24.43 H new ATOM 0 HB3 ALA A 42 -0.532 15.873 4.572 1.00 24.43 H new ATOM 630 N ASN A 43 1.239 14.490 6.454 1.00 10.01 N ATOM 631 CA ASN A 43 1.508 13.181 7.039 1.00 0.41 C ATOM 632 C ASN A 43 2.301 13.318 8.335 1.00 22.32 C ATOM 633 O ASN A 43 1.886 12.825 9.384 1.00 3.14 O ATOM 634 CB ASN A 43 2.276 12.305 6.048 1.00 70.32 C ATOM 635 CG ASN A 43 1.395 11.250 5.406 1.00 24.23 C ATOM 636 OD1 ASN A 43 0.168 11.332 5.462 1.00 24.34 O ATOM 637 ND2 ASN A 43 2.020 10.252 4.792 1.00 20.54 N ATOM 0 H ASN A 43 1.661 14.637 5.537 1.00 10.01 H new ATOM 0 HA ASN A 43 0.553 12.708 7.266 1.00 0.41 H new ATOM 0 HB2 ASN A 43 2.710 12.934 5.271 1.00 70.32 H new ATOM 0 HB3 ASN A 43 3.104 11.819 6.563 1.00 70.32 H new ATOM 0 HD21 ASN A 43 1.481 9.513 4.342 1.00 20.54 H new ATOM 0 HD22 ASN A 43 3.039 10.225 4.771 1.00 20.54 H new ATOM 644 N VAL A 44 3.445 13.990 8.255 1.00 40.22 N ATOM 645 CA VAL A 44 4.296 14.193 9.421 1.00 1.31 C ATOM 646 C VAL A 44 3.567 14.982 10.503 1.00 50.43 C ATOM 647 O VAL A 44 3.740 14.727 11.695 1.00 52.55 O ATOM 648 CB VAL A 44 5.594 14.934 9.047 1.00 55.31 C ATOM 649 CG1 VAL A 44 6.464 15.141 10.277 1.00 42.21 C ATOM 650 CG2 VAL A 44 6.350 14.172 7.970 1.00 64.21 C ATOM 0 H VAL A 44 3.804 14.403 7.394 1.00 40.22 H new ATOM 0 HA VAL A 44 4.549 13.204 9.804 1.00 1.31 H new ATOM 0 HB VAL A 44 5.331 15.914 8.649 1.00 55.31 H new ATOM 0 HG11 VAL A 44 7.376 15.666 9.993 1.00 42.21 H new ATOM 0 HG12 VAL A 44 5.919 15.732 11.013 1.00 42.21 H new ATOM 0 HG13 VAL A 44 6.721 14.173 10.708 1.00 42.21 H new ATOM 0 HG21 VAL A 44 7.264 14.709 7.718 1.00 64.21 H new ATOM 0 HG22 VAL A 44 6.603 13.178 8.338 1.00 64.21 H new ATOM 0 HG23 VAL A 44 5.725 14.082 7.081 1.00 64.21 H new ATOM 660 N SER A 45 2.751 15.942 10.079 1.00 74.12 N ATOM 661 CA SER A 45 1.997 16.771 11.012 1.00 53.45 C ATOM 662 C SER A 45 1.005 15.929 11.808 1.00 55.42 C ATOM 663 O SER A 45 0.617 16.290 12.920 1.00 51.13 O ATOM 664 CB SER A 45 1.255 17.878 10.259 1.00 62.35 C ATOM 665 OG SER A 45 2.101 18.990 10.023 1.00 63.31 O ATOM 0 H SER A 45 2.595 16.165 9.096 1.00 74.12 H new ATOM 0 HA SER A 45 2.702 17.225 11.708 1.00 53.45 H new ATOM 0 HB2 SER A 45 0.885 17.491 9.310 1.00 62.35 H new ATOM 0 HB3 SER A 45 0.386 18.194 10.835 1.00 62.35 H new ATOM 0 HG SER A 45 2.512 18.906 9.138 1.00 63.31 H new ATOM 671 N THR A 46 0.596 14.804 11.230 1.00 22.55 N ATOM 672 CA THR A 46 -0.351 13.910 11.884 1.00 74.42 C ATOM 673 C THR A 46 0.370 12.782 12.613 1.00 33.13 C ATOM 674 O THR A 46 -0.194 11.710 12.831 1.00 2.20 O ATOM 675 CB THR A 46 -1.340 13.301 10.871 1.00 3.21 C ATOM 676 OG1 THR A 46 -0.634 12.491 9.925 1.00 74.54 O ATOM 677 CG2 THR A 46 -2.106 14.393 10.140 1.00 41.13 C ATOM 0 H THR A 46 0.906 14.490 10.310 1.00 22.55 H new ATOM 0 HA THR A 46 -0.904 14.510 12.606 1.00 74.42 H new ATOM 0 HB THR A 46 -2.053 12.683 11.417 1.00 3.21 H new ATOM 0 HG1 THR A 46 0.325 12.688 9.977 1.00 74.54 H new ATOM 0 HG21 THR A 46 -2.798 13.939 9.430 1.00 41.13 H new ATOM 0 HG22 THR A 46 -2.665 14.990 10.861 1.00 41.13 H new ATOM 0 HG23 THR A 46 -1.405 15.033 9.605 1.00 41.13 H new ATOM 685 N GLY A 47 1.620 13.031 12.990 1.00 44.13 N ATOM 686 CA GLY A 47 2.398 12.027 13.692 1.00 71.33 C ATOM 687 C GLY A 47 2.425 10.699 12.960 1.00 2.25 C ATOM 688 O GLY A 47 2.580 9.646 13.578 1.00 25.24 O ATOM 0 H GLY A 47 2.108 13.911 12.822 1.00 44.13 H new ATOM 0 HA2 GLY A 47 3.418 12.388 13.822 1.00 71.33 H new ATOM 0 HA3 GLY A 47 1.982 11.881 14.689 1.00 71.33 H new ATOM 692 N ARG A 48 2.272 10.749 11.641 1.00 25.22 N ATOM 693 CA ARG A 48 2.277 9.540 10.826 1.00 44.44 C ATOM 694 C ARG A 48 3.653 9.307 10.208 1.00 50.34 C ATOM 695 O ARG A 48 4.339 10.254 9.823 1.00 70.51 O ATOM 696 CB ARG A 48 1.221 9.639 9.723 1.00 4.32 C ATOM 697 CG ARG A 48 0.067 8.666 9.896 1.00 22.44 C ATOM 698 CD ARG A 48 -1.275 9.379 9.855 1.00 1.52 C ATOM 699 NE ARG A 48 -1.777 9.678 11.194 1.00 52.24 N ATOM 700 CZ ARG A 48 -2.403 8.791 11.959 1.00 73.25 C ATOM 701 NH1 ARG A 48 -2.602 7.556 11.520 1.00 72.43 N ATOM 702 NH2 ARG A 48 -2.831 9.138 13.166 1.00 52.25 N ATOM 0 H ARG A 48 2.143 11.613 11.114 1.00 25.22 H new ATOM 0 HA ARG A 48 2.040 8.695 11.472 1.00 44.44 H new ATOM 0 HB2 ARG A 48 0.828 10.655 9.698 1.00 4.32 H new ATOM 0 HB3 ARG A 48 1.697 9.458 8.759 1.00 4.32 H new ATOM 0 HG2 ARG A 48 0.104 7.913 9.109 1.00 22.44 H new ATOM 0 HG3 ARG A 48 0.172 8.141 10.845 1.00 22.44 H new ATOM 0 HD2 ARG A 48 -1.176 10.306 9.290 1.00 1.52 H new ATOM 0 HD3 ARG A 48 -1.999 8.759 9.326 1.00 1.52 H new ATOM 0 HE ARG A 48 -1.639 10.619 11.561 1.00 52.24 H new ATOM 0 HH11 ARG A 48 -2.274 7.285 10.593 1.00 72.43 H new ATOM 0 HH12 ARG A 48 -3.083 6.877 12.109 1.00 72.43 H new ATOM 0 HH21 ARG A 48 -2.679 10.087 13.508 1.00 52.25 H new ATOM 0 HH22 ARG A 48 -3.312 8.456 13.752 1.00 52.25 H new ATOM 716 N GLU A 49 4.049 8.041 10.117 1.00 55.31 N ATOM 717 CA GLU A 49 5.343 7.685 9.547 1.00 14.01 C ATOM 718 C GLU A 49 5.532 8.335 8.180 1.00 64.05 C ATOM 719 O GLU A 49 4.573 8.689 7.494 1.00 1.51 O ATOM 720 CB GLU A 49 5.469 6.165 9.424 1.00 44.24 C ATOM 721 CG GLU A 49 4.225 5.494 8.868 1.00 71.34 C ATOM 722 CD GLU A 49 4.445 4.027 8.551 1.00 44.44 C ATOM 723 OE1 GLU A 49 3.679 3.476 7.733 1.00 42.23 O ATOM 724 OE2 GLU A 49 5.383 3.431 9.120 1.00 42.20 O ATOM 0 H GLU A 49 3.493 7.246 10.430 1.00 55.31 H new ATOM 0 HA GLU A 49 6.121 8.054 10.216 1.00 14.01 H new ATOM 0 HB2 GLU A 49 6.317 5.930 8.780 1.00 44.24 H new ATOM 0 HB3 GLU A 49 5.689 5.747 10.406 1.00 44.24 H new ATOM 0 HG2 GLU A 49 3.413 5.588 9.589 1.00 71.34 H new ATOM 0 HG3 GLU A 49 3.910 6.014 7.963 1.00 71.34 H new ATOM 731 N PRO A 50 6.800 8.496 7.772 1.00 2.13 N ATOM 732 CA PRO A 50 7.147 9.104 6.484 1.00 33.12 C ATOM 733 C PRO A 50 6.778 8.211 5.304 1.00 11.31 C ATOM 734 O PRO A 50 6.435 8.699 4.228 1.00 61.21 O ATOM 735 CB PRO A 50 8.665 9.276 6.570 1.00 3.23 C ATOM 736 CG PRO A 50 9.110 8.237 7.541 1.00 51.21 C ATOM 737 CD PRO A 50 7.993 8.097 8.538 1.00 60.11 C ATOM 0 HA PRO A 50 6.608 10.036 6.315 1.00 33.12 H new ATOM 0 HB2 PRO A 50 9.135 9.135 5.597 1.00 3.23 H new ATOM 0 HB3 PRO A 50 8.931 10.276 6.911 1.00 3.23 H new ATOM 0 HG2 PRO A 50 9.305 7.290 7.037 1.00 51.21 H new ATOM 0 HG3 PRO A 50 10.037 8.533 8.032 1.00 51.21 H new ATOM 0 HD2 PRO A 50 7.910 7.075 8.908 1.00 60.11 H new ATOM 0 HD3 PRO A 50 8.146 8.738 9.406 1.00 60.11 H new ATOM 745 N GLY A 51 6.850 6.900 5.514 1.00 3.31 N ATOM 746 CA GLY A 51 6.521 5.961 4.458 1.00 33.34 C ATOM 747 C GLY A 51 5.043 5.625 4.422 1.00 60.14 C ATOM 748 O GLY A 51 4.667 4.454 4.377 1.00 74.40 O ATOM 0 H GLY A 51 7.130 6.472 6.396 1.00 3.31 H new ATOM 0 HA2 GLY A 51 6.819 6.380 3.497 1.00 33.34 H new ATOM 0 HA3 GLY A 51 7.096 5.045 4.598 1.00 33.34 H new ATOM 752 N ASP A 52 4.204 6.654 4.442 1.00 15.30 N ATOM 753 CA ASP A 52 2.758 6.463 4.411 1.00 22.24 C ATOM 754 C ASP A 52 2.188 6.849 3.050 1.00 14.03 C ATOM 755 O ASP A 52 1.704 7.966 2.864 1.00 74.23 O ATOM 756 CB ASP A 52 2.089 7.289 5.511 1.00 24.55 C ATOM 757 CG ASP A 52 1.700 6.447 6.711 1.00 1.31 C ATOM 758 OD1 ASP A 52 1.304 5.279 6.514 1.00 45.12 O ATOM 759 OD2 ASP A 52 1.792 6.957 7.847 1.00 33.34 O ATOM 0 H ASP A 52 4.500 7.629 4.480 1.00 15.30 H new ATOM 0 HA ASP A 52 2.552 5.407 4.585 1.00 22.24 H new ATOM 0 HB2 ASP A 52 2.767 8.080 5.830 1.00 24.55 H new ATOM 0 HB3 ASP A 52 1.200 7.774 5.108 1.00 24.55 H new ATOM 764 N ILE A 53 2.249 5.919 2.103 1.00 1.13 N ATOM 765 CA ILE A 53 1.739 6.163 0.760 1.00 74.41 C ATOM 766 C ILE A 53 0.532 5.279 0.462 1.00 51.32 C ATOM 767 O ILE A 53 0.612 4.309 -0.292 1.00 44.43 O ATOM 768 CB ILE A 53 2.820 5.912 -0.307 1.00 42.14 C ATOM 769 CG1 ILE A 53 4.106 6.659 0.053 1.00 20.00 C ATOM 770 CG2 ILE A 53 2.320 6.339 -1.679 1.00 52.31 C ATOM 771 CD1 ILE A 53 3.933 8.160 0.125 1.00 31.00 C ATOM 0 H ILE A 53 2.647 4.990 2.241 1.00 1.13 H new ATOM 0 HA ILE A 53 1.439 7.210 0.722 1.00 74.41 H new ATOM 0 HB ILE A 53 3.038 4.844 -0.337 1.00 42.14 H new ATOM 0 HG12 ILE A 53 4.470 6.297 1.015 1.00 20.00 H new ATOM 0 HG13 ILE A 53 4.872 6.425 -0.686 1.00 20.00 H new ATOM 0 HG21 ILE A 53 3.096 6.155 -2.422 1.00 52.31 H new ATOM 0 HG22 ILE A 53 1.429 5.767 -1.936 1.00 52.31 H new ATOM 0 HG23 ILE A 53 2.077 7.401 -1.663 1.00 52.31 H new ATOM 0 HD11 ILE A 53 4.885 8.624 0.385 1.00 31.00 H new ATOM 0 HD12 ILE A 53 3.599 8.535 -0.843 1.00 31.00 H new ATOM 0 HD13 ILE A 53 3.191 8.405 0.885 1.00 31.00 H new ATOM 783 N PRO A 54 -0.616 5.622 1.066 1.00 63.22 N ATOM 784 CA PRO A 54 -1.863 4.874 0.879 1.00 44.15 C ATOM 785 C PRO A 54 -2.436 5.045 -0.524 1.00 62.32 C ATOM 786 O PRO A 54 -1.800 5.636 -1.396 1.00 10.10 O ATOM 787 CB PRO A 54 -2.803 5.487 1.919 1.00 54.02 C ATOM 788 CG PRO A 54 -2.276 6.862 2.143 1.00 50.21 C ATOM 789 CD PRO A 54 -0.785 6.766 1.978 1.00 64.35 C ATOM 0 HA PRO A 54 -1.717 3.800 0.997 1.00 44.15 H new ATOM 0 HB2 PRO A 54 -3.831 5.511 1.558 1.00 54.02 H new ATOM 0 HB3 PRO A 54 -2.803 4.908 2.842 1.00 54.02 H new ATOM 0 HG2 PRO A 54 -2.703 7.565 1.428 1.00 50.21 H new ATOM 0 HG3 PRO A 54 -2.536 7.222 3.138 1.00 50.21 H new ATOM 0 HD2 PRO A 54 -0.368 7.681 1.557 1.00 64.35 H new ATOM 0 HD3 PRO A 54 -0.285 6.597 2.932 1.00 64.35 H new ATOM 797 N GLU A 55 -3.641 4.523 -0.734 1.00 4.32 N ATOM 798 CA GLU A 55 -4.298 4.619 -2.032 1.00 32.43 C ATOM 799 C GLU A 55 -5.755 4.175 -1.937 1.00 71.44 C ATOM 800 O GLU A 55 -6.213 3.336 -2.715 1.00 1.22 O ATOM 801 CB GLU A 55 -3.560 3.767 -3.066 1.00 61.52 C ATOM 802 CG GLU A 55 -3.738 4.253 -4.495 1.00 33.04 C ATOM 803 CD GLU A 55 -3.195 3.273 -5.517 1.00 14.24 C ATOM 804 OE1 GLU A 55 -3.994 2.484 -6.064 1.00 52.51 O ATOM 805 OE2 GLU A 55 -1.973 3.295 -5.769 1.00 23.31 O ATOM 0 H GLU A 55 -4.181 4.030 -0.023 1.00 4.32 H new ATOM 0 HA GLU A 55 -4.273 5.662 -2.348 1.00 32.43 H new ATOM 0 HB2 GLU A 55 -2.497 3.757 -2.824 1.00 61.52 H new ATOM 0 HB3 GLU A 55 -3.913 2.738 -2.995 1.00 61.52 H new ATOM 0 HG2 GLU A 55 -4.797 4.423 -4.688 1.00 33.04 H new ATOM 0 HG3 GLU A 55 -3.234 5.212 -4.614 1.00 33.04 H new ATOM 812 N THR A 56 -6.480 4.743 -0.979 1.00 20.34 N ATOM 813 CA THR A 56 -7.884 4.405 -0.780 1.00 41.43 C ATOM 814 C THR A 56 -8.682 5.621 -0.322 1.00 60.33 C ATOM 815 O THR A 56 -8.219 6.403 0.509 1.00 41.34 O ATOM 816 CB THR A 56 -8.050 3.277 0.255 1.00 64.32 C ATOM 817 OG1 THR A 56 -7.797 3.779 1.572 1.00 74.01 O ATOM 818 CG2 THR A 56 -7.102 2.125 -0.044 1.00 72.22 C ATOM 0 H THR A 56 -6.118 5.440 -0.328 1.00 20.34 H new ATOM 0 HA THR A 56 -8.266 4.063 -1.742 1.00 41.43 H new ATOM 0 HB THR A 56 -9.074 2.909 0.197 1.00 64.32 H new ATOM 0 HG1 THR A 56 -8.174 3.163 2.235 1.00 74.01 H new ATOM 0 HG21 THR A 56 -7.237 1.340 0.700 1.00 72.22 H new ATOM 0 HG22 THR A 56 -7.316 1.726 -1.035 1.00 72.22 H new ATOM 0 HG23 THR A 56 -6.073 2.483 -0.011 1.00 72.22 H new ATOM 826 N LEU A 57 -9.883 5.773 -0.868 1.00 55.30 N ATOM 827 CA LEU A 57 -10.748 6.894 -0.514 1.00 45.35 C ATOM 828 C LEU A 57 -10.909 7.001 0.998 1.00 14.15 C ATOM 829 O LEU A 57 -11.039 8.098 1.543 1.00 33.51 O ATOM 830 CB LEU A 57 -12.118 6.736 -1.176 1.00 21.25 C ATOM 831 CG LEU A 57 -12.807 8.030 -1.610 1.00 71.43 C ATOM 832 CD1 LEU A 57 -12.982 8.966 -0.425 1.00 32.34 C ATOM 833 CD2 LEU A 57 -12.015 8.710 -2.717 1.00 4.21 C ATOM 0 H LEU A 57 -10.280 5.135 -1.557 1.00 55.30 H new ATOM 0 HA LEU A 57 -10.281 7.810 -0.876 1.00 45.35 H new ATOM 0 HB2 LEU A 57 -12.005 6.097 -2.052 1.00 21.25 H new ATOM 0 HB3 LEU A 57 -12.776 6.212 -0.483 1.00 21.25 H new ATOM 0 HG LEU A 57 -13.795 7.780 -1.997 1.00 71.43 H new ATOM 0 HD11 LEU A 57 -13.474 9.881 -0.754 1.00 32.34 H new ATOM 0 HD12 LEU A 57 -13.592 8.479 0.336 1.00 32.34 H new ATOM 0 HD13 LEU A 57 -12.006 9.209 -0.006 1.00 32.34 H new ATOM 0 HD21 LEU A 57 -12.520 9.629 -3.014 1.00 4.21 H new ATOM 0 HD22 LEU A 57 -11.014 8.946 -2.356 1.00 4.21 H new ATOM 0 HD23 LEU A 57 -11.943 8.042 -3.576 1.00 4.21 H new ATOM 845 N ASP A 58 -10.898 5.856 1.672 1.00 75.15 N ATOM 846 CA ASP A 58 -11.041 5.820 3.122 1.00 3.35 C ATOM 847 C ASP A 58 -9.824 6.440 3.803 1.00 21.51 C ATOM 848 O ASP A 58 -9.951 7.128 4.815 1.00 12.11 O ATOM 849 CB ASP A 58 -11.232 4.381 3.602 1.00 25.35 C ATOM 850 CG ASP A 58 -12.429 3.710 2.959 1.00 60.21 C ATOM 851 OD1 ASP A 58 -13.402 3.411 3.683 1.00 52.04 O ATOM 852 OD2 ASP A 58 -12.393 3.484 1.731 1.00 14.24 O ATOM 0 H ASP A 58 -10.791 4.940 1.236 1.00 75.15 H new ATOM 0 HA ASP A 58 -11.922 6.403 3.390 1.00 3.35 H new ATOM 0 HB2 ASP A 58 -10.334 3.805 3.380 1.00 25.35 H new ATOM 0 HB3 ASP A 58 -11.355 4.376 4.685 1.00 25.35 H new ATOM 857 N GLN A 59 -8.646 6.188 3.241 1.00 51.42 N ATOM 858 CA GLN A 59 -7.407 6.720 3.795 1.00 4.11 C ATOM 859 C GLN A 59 -7.339 8.234 3.624 1.00 51.01 C ATOM 860 O GLN A 59 -7.022 8.962 4.565 1.00 3.33 O ATOM 861 CB GLN A 59 -6.200 6.064 3.122 1.00 4.40 C ATOM 862 CG GLN A 59 -5.511 5.023 3.989 1.00 71.41 C ATOM 863 CD GLN A 59 -5.854 3.604 3.579 1.00 22.24 C ATOM 864 OE1 GLN A 59 -5.276 3.151 2.473 1.00 14.01 O flip ATOM 865 NE2 GLN A 59 -6.629 2.922 4.250 1.00 73.22 N flip ATOM 0 H GLN A 59 -8.524 5.619 2.403 1.00 51.42 H new ATOM 0 HA GLN A 59 -7.388 6.493 4.861 1.00 4.11 H new ATOM 0 HB2 GLN A 59 -6.523 5.595 2.193 1.00 4.40 H new ATOM 0 HB3 GLN A 59 -5.479 6.837 2.855 1.00 4.40 H new ATOM 0 HG2 GLN A 59 -4.432 5.163 3.931 1.00 71.41 H new ATOM 0 HG3 GLN A 59 -5.796 5.176 5.030 1.00 71.41 H new ATOM 0 HE21 GLN A 59 -7.051 3.310 5.094 1.00 73.22 H new ATOM 0 HE22 GLN A 59 -6.849 1.969 3.962 1.00 73.22 H new ATOM 874 N LEU A 60 -7.639 8.702 2.417 1.00 22.23 N ATOM 875 CA LEU A 60 -7.612 10.130 2.122 1.00 1.20 C ATOM 876 C LEU A 60 -8.595 10.888 3.009 1.00 42.13 C ATOM 877 O LEU A 60 -8.232 11.871 3.656 1.00 71.43 O ATOM 878 CB LEU A 60 -7.945 10.373 0.649 1.00 63.22 C ATOM 879 CG LEU A 60 -6.779 10.243 -0.333 1.00 14.13 C ATOM 880 CD1 LEU A 60 -5.740 11.322 -0.072 1.00 65.23 C ATOM 881 CD2 LEU A 60 -6.152 8.860 -0.236 1.00 2.25 C ATOM 0 H LEU A 60 -7.904 8.113 1.627 1.00 22.23 H new ATOM 0 HA LEU A 60 -6.607 10.499 2.327 1.00 1.20 H new ATOM 0 HB2 LEU A 60 -8.724 9.670 0.352 1.00 63.22 H new ATOM 0 HB3 LEU A 60 -8.365 11.374 0.552 1.00 63.22 H new ATOM 0 HG LEU A 60 -7.163 10.375 -1.344 1.00 14.13 H new ATOM 0 HD11 LEU A 60 -4.918 11.214 -0.780 1.00 65.23 H new ATOM 0 HD12 LEU A 60 -6.197 12.304 -0.193 1.00 65.23 H new ATOM 0 HD13 LEU A 60 -5.359 11.222 0.944 1.00 65.23 H new ATOM 0 HD21 LEU A 60 -5.324 8.785 -0.941 1.00 2.25 H new ATOM 0 HD22 LEU A 60 -5.782 8.699 0.776 1.00 2.25 H new ATOM 0 HD23 LEU A 60 -6.900 8.104 -0.473 1.00 2.25 H new ATOM 893 N ARG A 61 -9.840 10.424 3.035 1.00 63.51 N ATOM 894 CA ARG A 61 -10.875 11.057 3.843 1.00 23.11 C ATOM 895 C ARG A 61 -10.454 11.126 5.308 1.00 0.42 C ATOM 896 O ARG A 61 -10.674 12.134 5.981 1.00 34.05 O ATOM 897 CB ARG A 61 -12.192 10.290 3.715 1.00 31.25 C ATOM 898 CG ARG A 61 -13.312 10.856 4.573 1.00 52.34 C ATOM 899 CD ARG A 61 -13.764 9.860 5.629 1.00 4.01 C ATOM 900 NE ARG A 61 -15.177 10.016 5.960 1.00 14.22 N ATOM 901 CZ ARG A 61 -16.165 9.710 5.127 1.00 55.12 C ATOM 902 NH1 ARG A 61 -15.895 9.234 3.919 1.00 32.44 N ATOM 903 NH2 ARG A 61 -17.427 9.880 5.501 1.00 52.01 N ATOM 0 H ARG A 61 -10.156 9.612 2.506 1.00 63.51 H new ATOM 0 HA ARG A 61 -11.017 12.073 3.475 1.00 23.11 H new ATOM 0 HB2 ARG A 61 -12.506 10.296 2.671 1.00 31.25 H new ATOM 0 HB3 ARG A 61 -12.025 9.249 3.991 1.00 31.25 H new ATOM 0 HG2 ARG A 61 -12.973 11.772 5.057 1.00 52.34 H new ATOM 0 HG3 ARG A 61 -14.157 11.124 3.939 1.00 52.34 H new ATOM 0 HD2 ARG A 61 -13.586 8.846 5.271 1.00 4.01 H new ATOM 0 HD3 ARG A 61 -13.164 9.990 6.530 1.00 4.01 H new ATOM 0 HE ARG A 61 -15.419 10.380 6.882 1.00 14.22 H new ATOM 0 HH11 ARG A 61 -14.926 9.102 3.628 1.00 32.44 H new ATOM 0 HH12 ARG A 61 -16.656 9.000 3.281 1.00 32.44 H new ATOM 0 HH21 ARG A 61 -17.639 10.246 6.429 1.00 52.01 H new ATOM 0 HH22 ARG A 61 -18.185 9.645 4.860 1.00 52.01 H new ATOM 917 N LEU A 62 -9.848 10.049 5.796 1.00 51.51 N ATOM 918 CA LEU A 62 -9.396 9.987 7.182 1.00 55.43 C ATOM 919 C LEU A 62 -8.285 11.000 7.438 1.00 13.32 C ATOM 920 O LEU A 62 -8.380 11.825 8.347 1.00 14.21 O ATOM 921 CB LEU A 62 -8.905 8.578 7.516 1.00 64.03 C ATOM 922 CG LEU A 62 -8.996 8.166 8.985 1.00 33.23 C ATOM 923 CD1 LEU A 62 -8.106 9.050 9.844 1.00 0.24 C ATOM 924 CD2 LEU A 62 -10.438 8.229 9.468 1.00 72.52 C ATOM 0 H LEU A 62 -9.658 9.207 5.253 1.00 51.51 H new ATOM 0 HA LEU A 62 -10.241 10.232 7.826 1.00 55.43 H new ATOM 0 HB2 LEU A 62 -9.478 7.865 6.923 1.00 64.03 H new ATOM 0 HB3 LEU A 62 -7.866 8.493 7.199 1.00 64.03 H new ATOM 0 HG LEU A 62 -8.647 7.137 9.076 1.00 33.23 H new ATOM 0 HD11 LEU A 62 -8.184 8.741 10.886 1.00 0.24 H new ATOM 0 HD12 LEU A 62 -7.072 8.955 9.514 1.00 0.24 H new ATOM 0 HD13 LEU A 62 -8.423 10.088 9.748 1.00 0.24 H new ATOM 0 HD21 LEU A 62 -10.484 7.932 10.516 1.00 72.52 H new ATOM 0 HD22 LEU A 62 -10.813 9.247 9.362 1.00 72.52 H new ATOM 0 HD23 LEU A 62 -11.051 7.553 8.872 1.00 72.52 H new ATOM 936 N VAL A 63 -7.232 10.933 6.630 1.00 53.44 N ATOM 937 CA VAL A 63 -6.104 11.847 6.767 1.00 60.44 C ATOM 938 C VAL A 63 -6.568 13.299 6.752 1.00 24.13 C ATOM 939 O VAL A 63 -6.081 14.124 7.526 1.00 63.10 O ATOM 940 CB VAL A 63 -5.073 11.637 5.642 1.00 43.31 C ATOM 941 CG1 VAL A 63 -3.915 12.613 5.790 1.00 55.32 C ATOM 942 CG2 VAL A 63 -4.572 10.201 5.639 1.00 34.31 C ATOM 0 H VAL A 63 -7.136 10.255 5.874 1.00 53.44 H new ATOM 0 HA VAL A 63 -5.634 11.629 7.726 1.00 60.44 H new ATOM 0 HB VAL A 63 -5.560 11.830 4.686 1.00 43.31 H new ATOM 0 HG11 VAL A 63 -3.197 12.450 4.987 1.00 55.32 H new ATOM 0 HG12 VAL A 63 -4.291 13.635 5.738 1.00 55.32 H new ATOM 0 HG13 VAL A 63 -3.426 12.455 6.751 1.00 55.32 H new ATOM 0 HG21 VAL A 63 -3.845 10.071 4.838 1.00 34.31 H new ATOM 0 HG22 VAL A 63 -4.101 9.978 6.596 1.00 34.31 H new ATOM 0 HG23 VAL A 63 -5.411 9.523 5.481 1.00 34.31 H new ATOM 952 N ILE A 64 -7.511 13.604 5.868 1.00 12.21 N ATOM 953 CA ILE A 64 -8.042 14.957 5.754 1.00 2.04 C ATOM 954 C ILE A 64 -8.789 15.363 7.020 1.00 33.51 C ATOM 955 O ILE A 64 -8.731 16.517 7.445 1.00 40.23 O ATOM 956 CB ILE A 64 -8.989 15.091 4.547 1.00 21.43 C ATOM 957 CG1 ILE A 64 -8.248 14.759 3.250 1.00 5.45 C ATOM 958 CG2 ILE A 64 -9.574 16.494 4.486 1.00 60.32 C ATOM 959 CD1 ILE A 64 -9.142 14.189 2.172 1.00 42.31 C ATOM 0 H ILE A 64 -7.923 12.933 5.220 1.00 12.21 H new ATOM 0 HA ILE A 64 -7.188 15.619 5.610 1.00 2.04 H new ATOM 0 HB ILE A 64 -9.808 14.382 4.666 1.00 21.43 H new ATOM 0 HG12 ILE A 64 -7.769 15.663 2.873 1.00 5.45 H new ATOM 0 HG13 ILE A 64 -7.454 14.045 3.467 1.00 5.45 H new ATOM 0 HG21 ILE A 64 -10.241 16.573 3.628 1.00 60.32 H new ATOM 0 HG22 ILE A 64 -10.133 16.695 5.400 1.00 60.32 H new ATOM 0 HG23 ILE A 64 -8.767 17.220 4.387 1.00 60.32 H new ATOM 0 HD11 ILE A 64 -8.549 13.978 1.282 1.00 42.31 H new ATOM 0 HD12 ILE A 64 -9.601 13.267 2.530 1.00 42.31 H new ATOM 0 HD13 ILE A 64 -9.921 14.911 1.926 1.00 42.31 H new ATOM 971 N CYS A 65 -9.490 14.406 7.619 1.00 25.21 N ATOM 972 CA CYS A 65 -10.248 14.663 8.838 1.00 33.40 C ATOM 973 C CYS A 65 -9.321 15.053 9.984 1.00 44.42 C ATOM 974 O CYS A 65 -9.529 16.071 10.645 1.00 31.54 O ATOM 975 CB CYS A 65 -11.065 13.429 9.225 1.00 63.41 C ATOM 976 SG CYS A 65 -12.741 13.411 8.548 1.00 32.31 S ATOM 0 H CYS A 65 -9.549 13.446 7.280 1.00 25.21 H new ATOM 0 HA CYS A 65 -10.926 15.494 8.645 1.00 33.40 H new ATOM 0 HB2 CYS A 65 -10.538 12.537 8.886 1.00 63.41 H new ATOM 0 HB3 CYS A 65 -11.123 13.371 10.312 1.00 63.41 H new ATOM 0 HG CYS A 65 -13.351 12.328 8.929 1.00 32.31 H new ATOM 982 N ASP A 66 -8.297 14.238 10.214 1.00 52.24 N ATOM 983 CA ASP A 66 -7.337 14.498 11.280 1.00 33.12 C ATOM 984 C ASP A 66 -6.668 15.856 11.090 1.00 31.43 C ATOM 985 O ASP A 66 -6.479 16.606 12.049 1.00 63.04 O ATOM 986 CB ASP A 66 -6.278 13.395 11.322 1.00 15.03 C ATOM 987 CG ASP A 66 -6.876 12.012 11.157 1.00 75.23 C ATOM 988 OD1 ASP A 66 -8.016 11.798 11.622 1.00 62.02 O ATOM 989 OD2 ASP A 66 -6.206 11.143 10.561 1.00 4.23 O ATOM 0 H ASP A 66 -8.111 13.392 9.676 1.00 52.24 H new ATOM 0 HA ASP A 66 -7.877 14.509 12.227 1.00 33.12 H new ATOM 0 HB2 ASP A 66 -5.546 13.568 10.533 1.00 15.03 H new ATOM 0 HB3 ASP A 66 -5.742 13.445 12.270 1.00 15.03 H new ATOM 994 N LEU A 67 -6.311 16.165 9.849 1.00 71.23 N ATOM 995 CA LEU A 67 -5.662 17.432 9.532 1.00 4.24 C ATOM 996 C LEU A 67 -6.585 18.608 9.836 1.00 24.15 C ATOM 997 O LEU A 67 -6.129 19.678 10.238 1.00 53.41 O ATOM 998 CB LEU A 67 -5.247 17.462 8.060 1.00 1.03 C ATOM 999 CG LEU A 67 -3.845 17.997 7.769 1.00 43.43 C ATOM 1000 CD1 LEU A 67 -3.576 18.004 6.272 1.00 54.12 C ATOM 1001 CD2 LEU A 67 -3.676 19.394 8.349 1.00 43.01 C ATOM 0 H LEU A 67 -6.460 15.555 9.045 1.00 71.23 H new ATOM 0 HA LEU A 67 -4.772 17.521 10.155 1.00 4.24 H new ATOM 0 HB2 LEU A 67 -5.317 16.449 7.663 1.00 1.03 H new ATOM 0 HB3 LEU A 67 -5.967 18.070 7.513 1.00 1.03 H new ATOM 0 HG LEU A 67 -3.120 17.337 8.245 1.00 43.43 H new ATOM 0 HD11 LEU A 67 -2.573 18.388 6.084 1.00 54.12 H new ATOM 0 HD12 LEU A 67 -3.654 16.989 5.884 1.00 54.12 H new ATOM 0 HD13 LEU A 67 -4.307 18.640 5.774 1.00 54.12 H new ATOM 0 HD21 LEU A 67 -2.672 19.759 8.132 1.00 43.01 H new ATOM 0 HD22 LEU A 67 -4.410 20.065 7.902 1.00 43.01 H new ATOM 0 HD23 LEU A 67 -3.825 19.360 9.428 1.00 43.01 H new ATOM 1013 N GLN A 68 -7.883 18.399 9.644 1.00 11.31 N ATOM 1014 CA GLN A 68 -8.870 19.442 9.899 1.00 21.05 C ATOM 1015 C GLN A 68 -8.927 19.785 11.384 1.00 15.04 C ATOM 1016 O GLN A 68 -8.885 20.955 11.762 1.00 3.32 O ATOM 1017 CB GLN A 68 -10.250 18.997 9.413 1.00 52.53 C ATOM 1018 CG GLN A 68 -11.316 20.074 9.539 1.00 3.31 C ATOM 1019 CD GLN A 68 -12.020 20.356 8.226 1.00 23.33 C ATOM 1020 OE1 GLN A 68 -13.230 20.166 8.104 1.00 31.54 O ATOM 1021 NE2 GLN A 68 -11.263 20.812 7.235 1.00 74.23 N ATOM 0 H GLN A 68 -8.276 17.518 9.313 1.00 11.31 H new ATOM 0 HA GLN A 68 -8.570 20.334 9.350 1.00 21.05 H new ATOM 0 HB2 GLN A 68 -10.177 18.690 8.370 1.00 52.53 H new ATOM 0 HB3 GLN A 68 -10.561 18.121 9.982 1.00 52.53 H new ATOM 0 HG2 GLN A 68 -12.052 19.766 10.282 1.00 3.31 H new ATOM 0 HG3 GLN A 68 -10.857 20.992 9.905 1.00 3.31 H new ATOM 0 HE21 GLN A 68 -10.264 20.955 7.381 1.00 74.23 H new ATOM 0 HE22 GLN A 68 -11.681 21.020 6.328 1.00 74.23 H new ATOM 1030 N GLU A 69 -9.025 18.757 12.221 1.00 32.41 N ATOM 1031 CA GLU A 69 -9.090 18.951 13.665 1.00 61.22 C ATOM 1032 C GLU A 69 -7.863 19.706 14.168 1.00 50.12 C ATOM 1033 O GLU A 69 -7.982 20.681 14.910 1.00 54.22 O ATOM 1034 CB GLU A 69 -9.200 17.602 14.379 1.00 70.12 C ATOM 1035 CG GLU A 69 -10.613 17.262 14.824 1.00 44.42 C ATOM 1036 CD GLU A 69 -10.937 17.806 16.201 1.00 1.45 C ATOM 1037 OE1 GLU A 69 -11.695 18.796 16.285 1.00 63.23 O ATOM 1038 OE2 GLU A 69 -10.433 17.244 17.196 1.00 73.31 O ATOM 0 H GLU A 69 -9.061 17.782 11.924 1.00 32.41 H new ATOM 0 HA GLU A 69 -9.977 19.545 13.886 1.00 61.22 H new ATOM 0 HB2 GLU A 69 -8.839 16.818 13.714 1.00 70.12 H new ATOM 0 HB3 GLU A 69 -8.545 17.607 15.250 1.00 70.12 H new ATOM 0 HG2 GLU A 69 -11.324 17.664 14.102 1.00 44.42 H new ATOM 0 HG3 GLU A 69 -10.739 16.179 14.826 1.00 44.42 H new ATOM 1045 N ARG A 70 -6.685 19.248 13.759 1.00 65.14 N ATOM 1046 CA ARG A 70 -5.435 19.878 14.169 1.00 55.35 C ATOM 1047 C ARG A 70 -5.288 21.257 13.532 1.00 42.13 C ATOM 1048 O ARG A 70 -4.660 22.150 14.101 1.00 52.44 O ATOM 1049 CB ARG A 70 -4.245 18.997 13.785 1.00 40.40 C ATOM 1050 CG ARG A 70 -2.938 19.425 14.432 1.00 43.03 C ATOM 1051 CD ARG A 70 -1.817 18.445 14.123 1.00 22.32 C ATOM 1052 NE ARG A 70 -0.911 18.275 15.256 1.00 43.30 N ATOM 1053 CZ ARG A 70 -1.249 17.657 16.382 1.00 71.54 C ATOM 1054 NH1 ARG A 70 -2.466 17.151 16.524 1.00 75.22 N ATOM 1055 NH2 ARG A 70 -0.369 17.542 17.368 1.00 43.22 N ATOM 0 H ARG A 70 -6.569 18.443 13.144 1.00 65.14 H new ATOM 0 HA ARG A 70 -5.455 19.997 15.252 1.00 55.35 H new ATOM 0 HB2 ARG A 70 -4.460 17.966 14.067 1.00 40.40 H new ATOM 0 HB3 ARG A 70 -4.127 19.012 12.702 1.00 40.40 H new ATOM 0 HG2 ARG A 70 -2.663 20.418 14.077 1.00 43.03 H new ATOM 0 HG3 ARG A 70 -3.072 19.498 15.511 1.00 43.03 H new ATOM 0 HD2 ARG A 70 -2.244 17.479 13.852 1.00 22.32 H new ATOM 0 HD3 ARG A 70 -1.254 18.798 13.259 1.00 22.32 H new ATOM 0 HE ARG A 70 0.034 18.652 15.178 1.00 43.30 H new ATOM 0 HH11 ARG A 70 -3.145 17.236 15.768 1.00 75.22 H new ATOM 0 HH12 ARG A 70 -2.723 16.677 17.390 1.00 75.22 H new ATOM 0 HH21 ARG A 70 0.569 17.929 17.262 1.00 43.22 H new ATOM 0 HH22 ARG A 70 -0.630 17.067 18.232 1.00 43.22 H new ATOM 1069 N ARG A 71 -5.870 21.422 12.348 1.00 23.03 N ATOM 1070 CA ARG A 71 -5.801 22.691 11.634 1.00 74.24 C ATOM 1071 C ARG A 71 -6.485 23.800 12.428 1.00 70.20 C ATOM 1072 O ARG A 71 -5.997 24.928 12.482 1.00 0.14 O ATOM 1073 CB ARG A 71 -6.453 22.560 10.256 1.00 43.04 C ATOM 1074 CG ARG A 71 -6.627 23.887 9.536 1.00 42.33 C ATOM 1075 CD ARG A 71 -8.096 24.244 9.373 1.00 1.41 C ATOM 1076 NE ARG A 71 -8.594 23.918 8.040 1.00 51.25 N ATOM 1077 CZ ARG A 71 -8.300 24.622 6.952 1.00 5.44 C ATOM 1078 NH1 ARG A 71 -7.513 25.686 7.041 1.00 52.35 N ATOM 1079 NH2 ARG A 71 -8.792 24.262 5.774 1.00 45.52 N ATOM 0 H ARG A 71 -6.394 20.693 11.864 1.00 23.03 H new ATOM 0 HA ARG A 71 -4.750 22.952 11.509 1.00 74.24 H new ATOM 0 HB2 ARG A 71 -5.847 21.898 9.638 1.00 43.04 H new ATOM 0 HB3 ARG A 71 -7.428 22.087 10.368 1.00 43.04 H new ATOM 0 HG2 ARG A 71 -6.120 24.674 10.094 1.00 42.33 H new ATOM 0 HG3 ARG A 71 -6.153 23.835 8.556 1.00 42.33 H new ATOM 0 HD2 ARG A 71 -8.684 23.710 10.120 1.00 1.41 H new ATOM 0 HD3 ARG A 71 -8.233 25.309 9.561 1.00 1.41 H new ATOM 0 HE ARG A 71 -9.201 23.105 7.938 1.00 51.25 H new ATOM 0 HH11 ARG A 71 -7.133 25.965 7.945 1.00 52.35 H new ATOM 0 HH12 ARG A 71 -7.288 26.225 6.205 1.00 52.35 H new ATOM 0 HH21 ARG A 71 -9.397 23.444 5.702 1.00 45.52 H new ATOM 0 HH22 ARG A 71 -8.565 24.803 4.940 1.00 45.52 H new ATOM 1093 N GLU A 72 -7.617 23.470 13.041 1.00 32.35 N ATOM 1094 CA GLU A 72 -8.368 24.439 13.831 1.00 22.34 C ATOM 1095 C GLU A 72 -7.672 24.711 15.162 1.00 14.40 C ATOM 1096 O GLU A 72 -7.412 25.862 15.516 1.00 70.44 O ATOM 1097 CB GLU A 72 -9.791 23.934 14.081 1.00 64.10 C ATOM 1098 CG GLU A 72 -10.771 24.308 12.982 1.00 2.31 C ATOM 1099 CD GLU A 72 -12.089 24.823 13.527 1.00 71.03 C ATOM 1100 OE1 GLU A 72 -12.812 24.035 14.172 1.00 23.02 O ATOM 1101 OE2 GLU A 72 -12.398 26.013 13.307 1.00 32.35 O ATOM 0 H GLU A 72 -8.034 22.540 13.006 1.00 32.35 H new ATOM 0 HA GLU A 72 -8.415 25.371 13.267 1.00 22.34 H new ATOM 0 HB2 GLU A 72 -9.770 22.849 14.184 1.00 64.10 H new ATOM 0 HB3 GLU A 72 -10.149 24.337 15.028 1.00 64.10 H new ATOM 0 HG2 GLU A 72 -10.323 25.070 12.345 1.00 2.31 H new ATOM 0 HG3 GLU A 72 -10.957 23.437 12.354 1.00 2.31 H new ATOM 1108 N LYS A 73 -7.375 23.645 15.897 1.00 44.04 N ATOM 1109 CA LYS A 73 -6.709 23.767 17.188 1.00 21.31 C ATOM 1110 C LYS A 73 -5.417 24.568 17.061 1.00 32.22 C ATOM 1111 O LYS A 73 -4.976 25.208 18.016 1.00 42.34 O ATOM 1112 CB LYS A 73 -6.407 22.380 17.762 1.00 15.52 C ATOM 1113 CG LYS A 73 -6.607 22.288 19.265 1.00 33.11 C ATOM 1114 CD LYS A 73 -5.704 21.234 19.884 1.00 41.51 C ATOM 1115 CE LYS A 73 -6.341 20.606 21.114 1.00 54.24 C ATOM 1116 NZ LYS A 73 -5.323 20.208 22.124 1.00 22.22 N ATOM 0 H LYS A 73 -7.585 22.686 15.620 1.00 44.04 H new ATOM 0 HA LYS A 73 -7.379 24.297 17.865 1.00 21.31 H new ATOM 0 HB2 LYS A 73 -7.048 21.646 17.273 1.00 15.52 H new ATOM 0 HB3 LYS A 73 -5.377 22.114 17.524 1.00 15.52 H new ATOM 0 HG2 LYS A 73 -6.402 23.257 19.720 1.00 33.11 H new ATOM 0 HG3 LYS A 73 -7.648 22.048 19.480 1.00 33.11 H new ATOM 0 HD2 LYS A 73 -5.490 20.459 19.148 1.00 41.51 H new ATOM 0 HD3 LYS A 73 -4.750 21.686 20.157 1.00 41.51 H new ATOM 0 HE2 LYS A 73 -7.040 21.313 21.562 1.00 54.24 H new ATOM 0 HE3 LYS A 73 -6.919 19.731 20.817 1.00 54.24 H new ATOM 0 HZ1 LYS A 73 -5.797 19.784 22.947 1.00 22.22 H new ATOM 0 HZ2 LYS A 73 -4.671 19.514 21.705 1.00 22.22 H new ATOM 0 HZ3 LYS A 73 -4.788 21.047 22.427 1.00 22.22 H new ATOM 1130 N PHE A 74 -4.816 24.529 15.877 1.00 70.24 N ATOM 1131 CA PHE A 74 -3.575 25.252 15.625 1.00 61.20 C ATOM 1132 C PHE A 74 -3.856 26.608 14.985 1.00 42.21 C ATOM 1133 O PHE A 74 -3.055 27.536 15.093 1.00 20.21 O ATOM 1134 CB PHE A 74 -2.655 24.429 14.720 1.00 0.15 C ATOM 1135 CG PHE A 74 -1.392 25.147 14.338 1.00 21.55 C ATOM 1136 CD1 PHE A 74 -1.215 25.628 13.051 1.00 12.25 C ATOM 1137 CD2 PHE A 74 -0.381 25.339 15.266 1.00 30.34 C ATOM 1138 CE1 PHE A 74 -0.054 26.289 12.697 1.00 52.23 C ATOM 1139 CE2 PHE A 74 0.782 25.999 14.918 1.00 52.24 C ATOM 1140 CZ PHE A 74 0.946 26.474 13.631 1.00 70.11 C ATOM 0 H PHE A 74 -5.168 24.004 15.076 1.00 70.24 H new ATOM 0 HA PHE A 74 -3.079 25.417 16.582 1.00 61.20 H new ATOM 0 HB2 PHE A 74 -2.396 23.500 15.227 1.00 0.15 H new ATOM 0 HB3 PHE A 74 -3.197 24.157 13.814 1.00 0.15 H new ATOM 0 HD1 PHE A 74 -1.993 25.485 12.316 1.00 12.25 H new ATOM 0 HD2 PHE A 74 -0.503 24.968 16.273 1.00 30.34 H new ATOM 0 HE1 PHE A 74 0.071 26.661 11.691 1.00 52.23 H new ATOM 0 HE2 PHE A 74 1.562 26.143 15.651 1.00 52.24 H new ATOM 0 HZ PHE A 74 1.855 26.989 13.356 1.00 70.11 H new ATOM 1150 N GLY A 75 -5.000 26.715 14.317 1.00 54.04 N ATOM 1151 CA GLY A 75 -5.367 27.960 13.668 1.00 52.30 C ATOM 1152 C GLY A 75 -5.219 27.895 12.161 1.00 64.21 C ATOM 1153 O GLY A 75 -4.622 26.959 11.629 1.00 24.33 O ATOM 0 H GLY A 75 -5.680 25.961 14.214 1.00 54.04 H new ATOM 0 HA2 GLY A 75 -6.399 28.206 13.918 1.00 52.30 H new ATOM 0 HA3 GLY A 75 -4.744 28.766 14.057 1.00 52.30 H new ATOM 1157 N SER A 76 -5.764 28.891 11.470 1.00 32.31 N ATOM 1158 CA SER A 76 -5.694 28.940 10.014 1.00 33.54 C ATOM 1159 C SER A 76 -4.326 29.432 9.552 1.00 31.15 C ATOM 1160 O SER A 76 -3.838 30.464 10.012 1.00 52.53 O ATOM 1161 CB SER A 76 -6.791 29.851 9.460 1.00 3.33 C ATOM 1162 OG SER A 76 -6.572 31.199 9.838 1.00 13.42 O ATOM 0 H SER A 76 -6.259 29.675 11.895 1.00 32.31 H new ATOM 0 HA SER A 76 -5.844 27.930 9.633 1.00 33.54 H new ATOM 0 HB2 SER A 76 -6.818 29.774 8.373 1.00 3.33 H new ATOM 0 HB3 SER A 76 -7.763 29.520 9.827 1.00 3.33 H new ATOM 0 HG SER A 76 -5.619 31.337 10.019 1.00 13.42 H new ATOM 1168 N SER A 77 -3.712 28.685 8.641 1.00 72.35 N ATOM 1169 CA SER A 77 -2.398 29.042 8.118 1.00 34.22 C ATOM 1170 C SER A 77 -2.270 28.641 6.652 1.00 44.03 C ATOM 1171 O SER A 77 -2.879 27.669 6.205 1.00 24.55 O ATOM 1172 CB SER A 77 -1.299 28.368 8.941 1.00 3.22 C ATOM 1173 OG SER A 77 -0.622 27.383 8.179 1.00 11.52 O ATOM 0 H SER A 77 -4.103 27.828 8.249 1.00 72.35 H new ATOM 0 HA SER A 77 -2.286 30.124 8.192 1.00 34.22 H new ATOM 0 HB2 SER A 77 -0.587 29.118 9.286 1.00 3.22 H new ATOM 0 HB3 SER A 77 -1.735 27.910 9.829 1.00 3.22 H new ATOM 0 HG SER A 77 0.076 26.968 8.727 1.00 11.52 H new ATOM 1179 N LYS A 78 -1.472 29.398 5.906 1.00 1.10 N ATOM 1180 CA LYS A 78 -1.260 29.124 4.490 1.00 71.42 C ATOM 1181 C LYS A 78 -0.609 27.759 4.292 1.00 70.54 C ATOM 1182 O LYS A 78 -0.823 27.101 3.274 1.00 54.13 O ATOM 1183 CB LYS A 78 -0.387 30.213 3.863 1.00 23.21 C ATOM 1184 CG LYS A 78 -1.130 31.096 2.876 1.00 34.11 C ATOM 1185 CD LYS A 78 -0.439 32.437 2.697 1.00 40.11 C ATOM 1186 CE LYS A 78 -1.202 33.555 3.392 1.00 24.51 C ATOM 1187 NZ LYS A 78 -2.519 33.812 2.747 1.00 43.12 N ATOM 0 H LYS A 78 -0.961 30.207 6.259 1.00 1.10 H new ATOM 0 HA LYS A 78 -2.232 29.119 3.997 1.00 71.42 H new ATOM 0 HB2 LYS A 78 0.026 30.837 4.656 1.00 23.21 H new ATOM 0 HB3 LYS A 78 0.455 29.744 3.355 1.00 23.21 H new ATOM 0 HG2 LYS A 78 -1.198 30.590 1.913 1.00 34.11 H new ATOM 0 HG3 LYS A 78 -2.150 31.255 3.225 1.00 34.11 H new ATOM 0 HD2 LYS A 78 0.573 32.382 3.098 1.00 40.11 H new ATOM 0 HD3 LYS A 78 -0.349 32.662 1.634 1.00 40.11 H new ATOM 0 HE2 LYS A 78 -1.355 33.294 4.439 1.00 24.51 H new ATOM 0 HE3 LYS A 78 -0.605 34.467 3.375 1.00 24.51 H new ATOM 0 HZ1 LYS A 78 -2.829 34.780 2.965 1.00 43.12 H new ATOM 0 HZ2 LYS A 78 -2.429 33.701 1.717 1.00 43.12 H new ATOM 0 HZ3 LYS A 78 -3.220 33.134 3.108 1.00 43.12 H new ATOM 1201 N GLU A 79 0.185 27.339 5.272 1.00 61.45 N ATOM 1202 CA GLU A 79 0.866 26.051 5.203 1.00 1.13 C ATOM 1203 C GLU A 79 -0.106 24.906 5.474 1.00 52.44 C ATOM 1204 O GLU A 79 -0.180 23.946 4.706 1.00 3.30 O ATOM 1205 CB GLU A 79 2.018 26.004 6.209 1.00 2.52 C ATOM 1206 CG GLU A 79 3.345 26.476 5.638 1.00 54.34 C ATOM 1207 CD GLU A 79 3.906 27.674 6.379 1.00 63.11 C ATOM 1208 OE1 GLU A 79 3.188 28.689 6.496 1.00 35.44 O ATOM 1209 OE2 GLU A 79 5.064 27.597 6.841 1.00 52.11 O ATOM 0 H GLU A 79 0.372 27.871 6.122 1.00 61.45 H new ATOM 0 HA GLU A 79 1.267 25.934 4.196 1.00 1.13 H new ATOM 0 HB2 GLU A 79 1.763 26.621 7.070 1.00 2.52 H new ATOM 0 HB3 GLU A 79 2.131 24.982 6.572 1.00 2.52 H new ATOM 0 HG2 GLU A 79 4.065 25.659 5.679 1.00 54.34 H new ATOM 0 HG3 GLU A 79 3.213 26.733 4.587 1.00 54.34 H new ATOM 1216 N ILE A 80 -0.849 25.016 6.570 1.00 74.34 N ATOM 1217 CA ILE A 80 -1.817 23.991 6.941 1.00 31.11 C ATOM 1218 C ILE A 80 -2.969 23.935 5.943 1.00 24.50 C ATOM 1219 O ILE A 80 -3.557 22.877 5.717 1.00 22.24 O ATOM 1220 CB ILE A 80 -2.386 24.238 8.351 1.00 40.33 C ATOM 1221 CG1 ILE A 80 -3.185 23.022 8.823 1.00 71.13 C ATOM 1222 CG2 ILE A 80 -3.256 25.486 8.359 1.00 11.31 C ATOM 1223 CD1 ILE A 80 -2.438 22.155 9.812 1.00 51.00 C ATOM 0 H ILE A 80 -0.799 25.804 7.216 1.00 74.34 H new ATOM 0 HA ILE A 80 -1.286 23.039 6.933 1.00 31.11 H new ATOM 0 HB ILE A 80 -1.556 24.393 9.040 1.00 40.33 H new ATOM 0 HG12 ILE A 80 -4.114 23.363 9.280 1.00 71.13 H new ATOM 0 HG13 ILE A 80 -3.458 22.419 7.957 1.00 71.13 H new ATOM 0 HG21 ILE A 80 -3.651 25.648 9.362 1.00 11.31 H new ATOM 0 HG22 ILE A 80 -2.659 26.348 8.061 1.00 11.31 H new ATOM 0 HG23 ILE A 80 -4.082 25.358 7.660 1.00 11.31 H new ATOM 0 HD11 ILE A 80 -3.065 21.312 10.103 1.00 51.00 H new ATOM 0 HD12 ILE A 80 -1.522 21.784 9.352 1.00 51.00 H new ATOM 0 HD13 ILE A 80 -2.188 22.743 10.695 1.00 51.00 H new ATOM 1235 N ASP A 81 -3.284 25.079 5.347 1.00 41.01 N ATOM 1236 CA ASP A 81 -4.364 25.160 4.370 1.00 45.11 C ATOM 1237 C ASP A 81 -3.989 24.429 3.085 1.00 72.34 C ATOM 1238 O ASP A 81 -4.721 23.554 2.621 1.00 25.04 O ATOM 1239 CB ASP A 81 -4.693 26.622 4.062 1.00 22.32 C ATOM 1240 CG ASP A 81 -5.763 26.762 2.997 1.00 1.35 C ATOM 1241 OD1 ASP A 81 -6.934 26.437 3.286 1.00 1.31 O ATOM 1242 OD2 ASP A 81 -5.430 27.198 1.876 1.00 44.11 O ATOM 0 H ASP A 81 -2.807 25.963 5.523 1.00 41.01 H new ATOM 0 HA ASP A 81 -5.244 24.680 4.797 1.00 45.11 H new ATOM 0 HB2 ASP A 81 -5.026 27.117 4.975 1.00 22.32 H new ATOM 0 HB3 ASP A 81 -3.788 27.134 3.734 1.00 22.32 H new ATOM 1247 N MET A 82 -2.846 24.794 2.513 1.00 13.01 N ATOM 1248 CA MET A 82 -2.375 24.172 1.281 1.00 13.01 C ATOM 1249 C MET A 82 -2.264 22.659 1.444 1.00 50.43 C ATOM 1250 O MET A 82 -2.651 21.900 0.556 1.00 44.33 O ATOM 1251 CB MET A 82 -1.020 24.754 0.877 1.00 43.35 C ATOM 1252 CG MET A 82 -1.122 26.087 0.152 1.00 33.15 C ATOM 1253 SD MET A 82 -1.310 25.896 -1.631 1.00 35.04 S ATOM 1254 CE MET A 82 0.379 26.135 -2.177 1.00 35.22 C ATOM 0 H MET A 82 -2.229 25.517 2.883 1.00 13.01 H new ATOM 0 HA MET A 82 -3.101 24.383 0.496 1.00 13.01 H new ATOM 0 HB2 MET A 82 -0.408 24.881 1.770 1.00 43.35 H new ATOM 0 HB3 MET A 82 -0.504 24.040 0.236 1.00 43.35 H new ATOM 0 HG2 MET A 82 -1.971 26.646 0.545 1.00 33.15 H new ATOM 0 HG3 MET A 82 -0.229 26.677 0.358 1.00 33.15 H new ATOM 0 HE1 MET A 82 0.427 26.046 -3.262 1.00 35.22 H new ATOM 0 HE2 MET A 82 0.721 27.126 -1.879 1.00 35.22 H new ATOM 0 HE3 MET A 82 1.019 25.378 -1.723 1.00 35.22 H new ATOM 1264 N ALA A 83 -1.733 22.229 2.583 1.00 31.24 N ATOM 1265 CA ALA A 83 -1.573 20.807 2.862 1.00 2.13 C ATOM 1266 C ALA A 83 -2.915 20.084 2.816 1.00 65.12 C ATOM 1267 O ALA A 83 -3.055 19.059 2.147 1.00 0.51 O ATOM 1268 CB ALA A 83 -0.910 20.607 4.217 1.00 64.50 C ATOM 0 H ALA A 83 -1.406 22.845 3.328 1.00 31.24 H new ATOM 0 HA ALA A 83 -0.933 20.380 2.090 1.00 2.13 H new ATOM 0 HB1 ALA A 83 -0.797 19.541 4.413 1.00 64.50 H new ATOM 0 HB2 ALA A 83 0.071 21.082 4.216 1.00 64.50 H new ATOM 0 HB3 ALA A 83 -1.529 21.055 4.995 1.00 64.50 H new ATOM 1274 N ILE A 84 -3.897 20.623 3.530 1.00 22.41 N ATOM 1275 CA ILE A 84 -5.227 20.028 3.569 1.00 11.03 C ATOM 1276 C ILE A 84 -5.872 20.032 2.187 1.00 23.33 C ATOM 1277 O ILE A 84 -6.285 18.989 1.680 1.00 33.25 O ATOM 1278 CB ILE A 84 -6.148 20.772 4.555 1.00 45.02 C ATOM 1279 CG1 ILE A 84 -5.559 20.730 5.967 1.00 54.13 C ATOM 1280 CG2 ILE A 84 -7.542 20.165 4.538 1.00 74.01 C ATOM 1281 CD1 ILE A 84 -6.027 21.866 6.850 1.00 71.41 C ATOM 0 H ILE A 84 -3.797 21.470 4.089 1.00 22.41 H new ATOM 0 HA ILE A 84 -5.102 18.999 3.906 1.00 11.03 H new ATOM 0 HB ILE A 84 -6.223 21.814 4.244 1.00 45.02 H new ATOM 0 HG12 ILE A 84 -5.826 19.783 6.435 1.00 54.13 H new ATOM 0 HG13 ILE A 84 -4.471 20.757 5.899 1.00 54.13 H new ATOM 0 HG21 ILE A 84 -8.181 20.701 5.240 1.00 74.01 H new ATOM 0 HG22 ILE A 84 -7.960 20.242 3.534 1.00 74.01 H new ATOM 0 HG23 ILE A 84 -7.486 19.116 4.828 1.00 74.01 H new ATOM 0 HD11 ILE A 84 -5.570 21.773 7.835 1.00 71.41 H new ATOM 0 HD12 ILE A 84 -5.737 22.817 6.404 1.00 71.41 H new ATOM 0 HD13 ILE A 84 -7.112 21.827 6.948 1.00 71.41 H new ATOM 1293 N VAL A 85 -5.953 21.212 1.581 1.00 24.02 N ATOM 1294 CA VAL A 85 -6.544 21.352 0.256 1.00 71.21 C ATOM 1295 C VAL A 85 -5.925 20.366 -0.729 1.00 14.12 C ATOM 1296 O VAL A 85 -6.578 19.923 -1.675 1.00 10.04 O ATOM 1297 CB VAL A 85 -6.370 22.782 -0.288 1.00 43.14 C ATOM 1298 CG1 VAL A 85 -7.073 22.933 -1.629 1.00 31.04 C ATOM 1299 CG2 VAL A 85 -6.891 23.801 0.714 1.00 21.52 C ATOM 0 H VAL A 85 -5.617 22.085 1.987 1.00 24.02 H new ATOM 0 HA VAL A 85 -7.608 21.138 0.360 1.00 71.21 H new ATOM 0 HB VAL A 85 -5.307 22.967 -0.439 1.00 43.14 H new ATOM 0 HG11 VAL A 85 -6.939 23.950 -1.998 1.00 31.04 H new ATOM 0 HG12 VAL A 85 -6.648 22.229 -2.344 1.00 31.04 H new ATOM 0 HG13 VAL A 85 -8.137 22.728 -1.507 1.00 31.04 H new ATOM 0 HG21 VAL A 85 -6.760 24.806 0.313 1.00 21.52 H new ATOM 0 HG22 VAL A 85 -7.950 23.620 0.900 1.00 21.52 H new ATOM 0 HG23 VAL A 85 -6.337 23.708 1.648 1.00 21.52 H new ATOM 1309 N THR A 86 -4.661 20.025 -0.501 1.00 21.13 N ATOM 1310 CA THR A 86 -3.953 19.092 -1.368 1.00 23.33 C ATOM 1311 C THR A 86 -4.485 17.673 -1.200 1.00 53.33 C ATOM 1312 O THR A 86 -4.861 17.021 -2.175 1.00 64.24 O ATOM 1313 CB THR A 86 -2.439 19.097 -1.081 1.00 72.23 C ATOM 1314 OG1 THR A 86 -1.884 20.377 -1.403 1.00 30.11 O ATOM 1315 CG2 THR A 86 -1.733 18.016 -1.885 1.00 62.50 C ATOM 0 H THR A 86 -4.106 20.381 0.277 1.00 21.13 H new ATOM 0 HA THR A 86 -4.123 19.422 -2.393 1.00 23.33 H new ATOM 0 HB THR A 86 -2.291 18.894 -0.020 1.00 72.23 H new ATOM 0 HG1 THR A 86 -2.314 21.067 -0.856 1.00 30.11 H new ATOM 0 HG21 THR A 86 -0.665 18.039 -1.666 1.00 62.50 H new ATOM 0 HG22 THR A 86 -2.138 17.040 -1.617 1.00 62.50 H new ATOM 0 HG23 THR A 86 -1.889 18.194 -2.949 1.00 62.50 H new ATOM 1323 N LEU A 87 -4.517 17.201 0.041 1.00 63.11 N ATOM 1324 CA LEU A 87 -5.005 15.858 0.336 1.00 1.35 C ATOM 1325 C LEU A 87 -6.413 15.658 -0.214 1.00 34.35 C ATOM 1326 O LEU A 87 -6.794 14.548 -0.585 1.00 74.53 O ATOM 1327 CB LEU A 87 -4.995 15.611 1.846 1.00 5.41 C ATOM 1328 CG LEU A 87 -3.899 14.680 2.366 1.00 34.33 C ATOM 1329 CD1 LEU A 87 -4.180 13.243 1.954 1.00 54.10 C ATOM 1330 CD2 LEU A 87 -2.535 15.125 1.860 1.00 73.14 C ATOM 0 H LEU A 87 -4.211 17.728 0.859 1.00 63.11 H new ATOM 0 HA LEU A 87 -4.341 15.142 -0.148 1.00 1.35 H new ATOM 0 HB2 LEU A 87 -4.897 16.572 2.351 1.00 5.41 H new ATOM 0 HB3 LEU A 87 -5.962 15.197 2.133 1.00 5.41 H new ATOM 0 HG LEU A 87 -3.893 14.730 3.455 1.00 34.33 H new ATOM 0 HD11 LEU A 87 -3.390 12.595 2.333 1.00 54.10 H new ATOM 0 HD12 LEU A 87 -5.138 12.927 2.367 1.00 54.10 H new ATOM 0 HD13 LEU A 87 -4.214 13.176 0.867 1.00 54.10 H new ATOM 0 HD21 LEU A 87 -1.768 14.450 2.240 1.00 73.14 H new ATOM 0 HD22 LEU A 87 -2.527 15.106 0.770 1.00 73.14 H new ATOM 0 HD23 LEU A 87 -2.331 16.138 2.206 1.00 73.14 H new ATOM 1342 N LYS A 88 -7.183 16.740 -0.265 1.00 24.15 N ATOM 1343 CA LYS A 88 -8.548 16.685 -0.772 1.00 53.14 C ATOM 1344 C LYS A 88 -8.561 16.668 -2.298 1.00 13.24 C ATOM 1345 O LYS A 88 -8.963 15.681 -2.914 1.00 43.11 O ATOM 1346 CB LYS A 88 -9.354 17.880 -0.258 1.00 41.41 C ATOM 1347 CG LYS A 88 -9.893 17.690 1.149 1.00 1.41 C ATOM 1348 CD LYS A 88 -9.805 18.974 1.958 1.00 71.21 C ATOM 1349 CE LYS A 88 -11.162 19.374 2.518 1.00 64.33 C ATOM 1350 NZ LYS A 88 -11.065 20.562 3.411 1.00 62.45 N ATOM 0 H LYS A 88 -6.884 17.666 0.039 1.00 24.15 H new ATOM 0 HA LYS A 88 -9.006 15.764 -0.411 1.00 53.14 H new ATOM 0 HB2 LYS A 88 -8.724 18.769 -0.280 1.00 41.41 H new ATOM 0 HB3 LYS A 88 -10.188 18.064 -0.936 1.00 41.41 H new ATOM 0 HG2 LYS A 88 -10.931 17.360 1.101 1.00 1.41 H new ATOM 0 HG3 LYS A 88 -9.331 16.903 1.652 1.00 1.41 H new ATOM 0 HD2 LYS A 88 -9.097 18.842 2.776 1.00 71.21 H new ATOM 0 HD3 LYS A 88 -9.419 19.776 1.329 1.00 71.21 H new ATOM 0 HE2 LYS A 88 -11.844 19.592 1.696 1.00 64.33 H new ATOM 0 HE3 LYS A 88 -11.587 18.537 3.072 1.00 64.33 H new ATOM 0 HZ1 LYS A 88 -11.975 21.065 3.419 1.00 62.45 H new ATOM 0 HZ2 LYS A 88 -10.832 20.253 4.376 1.00 62.45 H new ATOM 0 HZ3 LYS A 88 -10.320 21.199 3.062 1.00 62.45 H new ATOM 1364 N VAL A 89 -8.118 17.767 -2.901 1.00 33.30 N ATOM 1365 CA VAL A 89 -8.077 17.877 -4.354 1.00 64.12 C ATOM 1366 C VAL A 89 -7.379 16.673 -4.977 1.00 22.22 C ATOM 1367 O VAL A 89 -7.706 16.259 -6.089 1.00 61.31 O ATOM 1368 CB VAL A 89 -7.354 19.162 -4.799 1.00 42.12 C ATOM 1369 CG1 VAL A 89 -5.880 19.102 -4.428 1.00 21.20 C ATOM 1370 CG2 VAL A 89 -7.527 19.380 -6.295 1.00 21.42 C ATOM 0 H VAL A 89 -7.783 18.593 -2.406 1.00 33.30 H new ATOM 0 HA VAL A 89 -9.111 17.912 -4.698 1.00 64.12 H new ATOM 0 HB VAL A 89 -7.801 20.008 -4.277 1.00 42.12 H new ATOM 0 HG11 VAL A 89 -5.386 20.019 -4.750 1.00 21.20 H new ATOM 0 HG12 VAL A 89 -5.781 18.997 -3.348 1.00 21.20 H new ATOM 0 HG13 VAL A 89 -5.416 18.247 -4.920 1.00 21.20 H new ATOM 0 HG21 VAL A 89 -7.010 20.292 -6.592 1.00 21.42 H new ATOM 0 HG22 VAL A 89 -7.108 18.532 -6.837 1.00 21.42 H new ATOM 0 HG23 VAL A 89 -8.588 19.472 -6.529 1.00 21.42 H new ATOM 1380 N PHE A 90 -6.415 16.114 -4.252 1.00 15.03 N ATOM 1381 CA PHE A 90 -5.670 14.957 -4.733 1.00 31.32 C ATOM 1382 C PHE A 90 -6.489 13.679 -4.575 1.00 62.35 C ATOM 1383 O PHE A 90 -6.510 12.829 -5.465 1.00 51.14 O ATOM 1384 CB PHE A 90 -4.347 14.825 -3.976 1.00 31.25 C ATOM 1385 CG PHE A 90 -3.609 13.552 -4.276 1.00 22.30 C ATOM 1386 CD1 PHE A 90 -2.817 13.445 -5.408 1.00 3.23 C ATOM 1387 CD2 PHE A 90 -3.707 12.461 -3.427 1.00 14.32 C ATOM 1388 CE1 PHE A 90 -2.136 12.275 -5.687 1.00 4.30 C ATOM 1389 CE2 PHE A 90 -3.028 11.289 -3.701 1.00 15.04 C ATOM 1390 CZ PHE A 90 -2.243 11.195 -4.833 1.00 4.53 C ATOM 0 H PHE A 90 -6.132 16.444 -3.329 1.00 15.03 H new ATOM 0 HA PHE A 90 -5.461 15.105 -5.792 1.00 31.32 H new ATOM 0 HB2 PHE A 90 -3.709 15.673 -4.225 1.00 31.25 H new ATOM 0 HB3 PHE A 90 -4.544 14.878 -2.905 1.00 31.25 H new ATOM 0 HD1 PHE A 90 -2.731 14.286 -6.080 1.00 3.23 H new ATOM 0 HD2 PHE A 90 -4.321 12.528 -2.541 1.00 14.32 H new ATOM 0 HE1 PHE A 90 -1.521 12.205 -6.572 1.00 4.30 H new ATOM 0 HE2 PHE A 90 -3.111 10.447 -3.030 1.00 15.04 H new ATOM 0 HZ PHE A 90 -1.714 10.279 -5.050 1.00 4.53 H new ATOM 1400 N ALA A 91 -7.161 13.550 -3.436 1.00 40.32 N ATOM 1401 CA ALA A 91 -7.982 12.378 -3.162 1.00 33.31 C ATOM 1402 C ALA A 91 -9.066 12.207 -4.221 1.00 33.23 C ATOM 1403 O ALA A 91 -9.289 11.105 -4.723 1.00 53.32 O ATOM 1404 CB ALA A 91 -8.605 12.482 -1.778 1.00 34.02 C ATOM 0 H ALA A 91 -7.153 14.243 -2.688 1.00 40.32 H new ATOM 0 HA ALA A 91 -7.338 11.499 -3.194 1.00 33.31 H new ATOM 0 HB1 ALA A 91 -9.216 11.600 -1.587 1.00 34.02 H new ATOM 0 HB2 ALA A 91 -7.817 12.547 -1.028 1.00 34.02 H new ATOM 0 HB3 ALA A 91 -9.230 13.374 -1.726 1.00 34.02 H new ATOM 1410 N VAL A 92 -9.739 13.304 -4.555 1.00 64.32 N ATOM 1411 CA VAL A 92 -10.800 13.275 -5.555 1.00 5.01 C ATOM 1412 C VAL A 92 -10.226 13.144 -6.961 1.00 50.03 C ATOM 1413 O VAL A 92 -10.767 12.423 -7.799 1.00 33.23 O ATOM 1414 CB VAL A 92 -11.672 14.542 -5.484 1.00 2.50 C ATOM 1415 CG1 VAL A 92 -12.415 14.606 -4.158 1.00 72.25 C ATOM 1416 CG2 VAL A 92 -10.821 15.787 -5.687 1.00 65.33 C ATOM 0 H VAL A 92 -9.568 14.223 -4.148 1.00 64.32 H new ATOM 0 HA VAL A 92 -11.418 12.405 -5.336 1.00 5.01 H new ATOM 0 HB VAL A 92 -12.410 14.499 -6.285 1.00 2.50 H new ATOM 0 HG11 VAL A 92 -13.026 15.508 -4.126 1.00 72.25 H new ATOM 0 HG12 VAL A 92 -13.056 13.730 -4.057 1.00 72.25 H new ATOM 0 HG13 VAL A 92 -11.696 14.626 -3.339 1.00 72.25 H new ATOM 0 HG21 VAL A 92 -11.454 16.673 -5.634 1.00 65.33 H new ATOM 0 HG22 VAL A 92 -10.059 15.838 -4.909 1.00 65.33 H new ATOM 0 HG23 VAL A 92 -10.340 15.743 -6.664 1.00 65.33 H new ATOM 1426 N ALA A 93 -9.126 13.846 -7.214 1.00 12.23 N ATOM 1427 CA ALA A 93 -8.477 13.807 -8.518 1.00 72.42 C ATOM 1428 C ALA A 93 -7.723 12.496 -8.717 1.00 13.03 C ATOM 1429 O ALA A 93 -7.218 12.217 -9.803 1.00 54.44 O ATOM 1430 CB ALA A 93 -7.533 14.990 -8.674 1.00 71.41 C ATOM 0 H ALA A 93 -8.666 14.449 -6.532 1.00 12.23 H new ATOM 0 HA ALA A 93 -9.251 13.871 -9.283 1.00 72.42 H new ATOM 0 HB1 ALA A 93 -7.055 14.948 -9.653 1.00 71.41 H new ATOM 0 HB2 ALA A 93 -8.096 15.919 -8.585 1.00 71.41 H new ATOM 0 HB3 ALA A 93 -6.770 14.952 -7.896 1.00 71.41 H new ATOM 1436 N GLY A 94 -7.650 11.694 -7.658 1.00 54.24 N ATOM 1437 CA GLY A 94 -6.955 10.423 -7.738 1.00 33.34 C ATOM 1438 C GLY A 94 -7.872 9.244 -7.479 1.00 72.43 C ATOM 1439 O GLY A 94 -8.234 8.515 -8.404 1.00 30.42 O ATOM 0 H GLY A 94 -8.060 11.902 -6.747 1.00 54.24 H new ATOM 0 HA2 GLY A 94 -6.505 10.320 -8.726 1.00 33.34 H new ATOM 0 HA3 GLY A 94 -6.140 10.412 -7.014 1.00 33.34 H new ATOM 1443 N LEU A 95 -8.248 9.054 -6.219 1.00 72.34 N ATOM 1444 CA LEU A 95 -9.128 7.953 -5.841 1.00 42.02 C ATOM 1445 C LEU A 95 -10.465 8.050 -6.569 1.00 63.50 C ATOM 1446 O LEU A 95 -11.171 7.053 -6.727 1.00 33.11 O ATOM 1447 CB LEU A 95 -9.356 7.954 -4.329 1.00 34.53 C ATOM 1448 CG LEU A 95 -8.181 7.480 -3.472 1.00 55.21 C ATOM 1449 CD1 LEU A 95 -7.668 6.136 -3.966 1.00 14.34 C ATOM 1450 CD2 LEU A 95 -7.065 8.515 -3.479 1.00 74.53 C ATOM 0 H LEU A 95 -7.958 9.648 -5.442 1.00 72.34 H new ATOM 0 HA LEU A 95 -8.646 7.019 -6.129 1.00 42.02 H new ATOM 0 HB2 LEU A 95 -9.618 8.966 -4.022 1.00 34.53 H new ATOM 0 HB3 LEU A 95 -10.217 7.322 -4.111 1.00 34.53 H new ATOM 0 HG LEU A 95 -8.529 7.358 -2.446 1.00 55.21 H new ATOM 0 HD11 LEU A 95 -6.832 5.815 -3.344 1.00 14.34 H new ATOM 0 HD12 LEU A 95 -8.468 5.398 -3.908 1.00 14.34 H new ATOM 0 HD13 LEU A 95 -7.336 6.231 -5.000 1.00 14.34 H new ATOM 0 HD21 LEU A 95 -6.237 8.162 -2.864 1.00 74.53 H new ATOM 0 HD22 LEU A 95 -6.718 8.669 -4.501 1.00 74.53 H new ATOM 0 HD23 LEU A 95 -7.439 9.456 -3.077 1.00 74.53 H new ATOM 1462 N LEU A 96 -10.805 9.255 -7.012 1.00 73.43 N ATOM 1463 CA LEU A 96 -12.057 9.482 -7.726 1.00 70.54 C ATOM 1464 C LEU A 96 -11.794 9.847 -9.184 1.00 10.33 C ATOM 1465 O LEU A 96 -12.718 9.914 -9.993 1.00 43.14 O ATOM 1466 CB LEU A 96 -12.861 10.592 -7.047 1.00 65.20 C ATOM 1467 CG LEU A 96 -14.320 10.266 -6.729 1.00 72.32 C ATOM 1468 CD1 LEU A 96 -15.034 9.751 -7.969 1.00 73.41 C ATOM 1469 CD2 LEU A 96 -14.406 9.248 -5.601 1.00 1.22 C ATOM 0 H LEU A 96 -10.232 10.090 -6.890 1.00 73.43 H new ATOM 0 HA LEU A 96 -12.634 8.557 -7.701 1.00 70.54 H new ATOM 0 HB2 LEU A 96 -12.359 10.860 -6.118 1.00 65.20 H new ATOM 0 HB3 LEU A 96 -12.838 11.474 -7.688 1.00 65.20 H new ATOM 0 HG LEU A 96 -14.814 11.182 -6.404 1.00 72.32 H new ATOM 0 HD11 LEU A 96 -16.071 9.524 -7.724 1.00 73.41 H new ATOM 0 HD12 LEU A 96 -15.004 10.512 -8.749 1.00 73.41 H new ATOM 0 HD13 LEU A 96 -14.539 8.847 -8.325 1.00 73.41 H new ATOM 0 HD21 LEU A 96 -15.452 9.028 -5.388 1.00 1.22 H new ATOM 0 HD22 LEU A 96 -13.896 8.332 -5.898 1.00 1.22 H new ATOM 0 HD23 LEU A 96 -13.932 9.654 -4.708 1.00 1.22 H new ATOM 1481 N ASN A 97 -10.527 10.081 -9.510 1.00 51.23 N ATOM 1482 CA ASN A 97 -10.142 10.439 -10.871 1.00 30.52 C ATOM 1483 C ASN A 97 -10.993 11.593 -11.392 1.00 32.52 C ATOM 1484 O ASN A 97 -11.257 11.691 -12.590 1.00 21.02 O ATOM 1485 CB ASN A 97 -10.281 9.229 -11.797 1.00 35.40 C ATOM 1486 CG ASN A 97 -9.141 8.242 -11.635 1.00 51.21 C ATOM 1487 OD1 ASN A 97 -7.979 8.577 -11.866 1.00 21.43 O ATOM 1488 ND2 ASN A 97 -9.469 7.019 -11.237 1.00 34.41 N ATOM 0 H ASN A 97 -9.750 10.029 -8.851 1.00 51.23 H new ATOM 0 HA ASN A 97 -9.100 10.758 -10.855 1.00 30.52 H new ATOM 0 HB2 ASN A 97 -11.226 8.725 -11.592 1.00 35.40 H new ATOM 0 HB3 ASN A 97 -10.319 9.569 -12.832 1.00 35.40 H new ATOM 0 HD21 ASN A 97 -8.744 6.312 -11.111 1.00 34.41 H new ATOM 0 HD22 ASN A 97 -10.446 6.786 -11.057 1.00 34.41 H new ATOM 1495 N MET A 98 -11.419 12.464 -10.483 1.00 32.40 N ATOM 1496 CA MET A 98 -12.239 13.612 -10.851 1.00 51.11 C ATOM 1497 C MET A 98 -11.417 14.897 -10.827 1.00 60.24 C ATOM 1498 O MET A 98 -10.960 15.335 -9.771 1.00 64.41 O ATOM 1499 CB MET A 98 -13.433 13.739 -9.902 1.00 65.04 C ATOM 1500 CG MET A 98 -14.515 12.700 -10.146 1.00 13.23 C ATOM 1501 SD MET A 98 -15.810 13.292 -11.253 1.00 4.22 S ATOM 1502 CE MET A 98 -17.267 12.609 -10.466 1.00 45.11 C ATOM 0 H MET A 98 -11.210 12.397 -9.487 1.00 32.40 H new ATOM 0 HA MET A 98 -12.606 13.455 -11.865 1.00 51.11 H new ATOM 0 HB2 MET A 98 -13.081 13.651 -8.874 1.00 65.04 H new ATOM 0 HB3 MET A 98 -13.866 14.734 -10.006 1.00 65.04 H new ATOM 0 HG2 MET A 98 -14.063 11.803 -10.569 1.00 13.23 H new ATOM 0 HG3 MET A 98 -14.960 12.414 -9.193 1.00 13.23 H new ATOM 0 HE1 MET A 98 -18.153 12.889 -11.035 1.00 45.11 H new ATOM 0 HE2 MET A 98 -17.186 11.523 -10.431 1.00 45.11 H new ATOM 0 HE3 MET A 98 -17.349 12.999 -9.452 1.00 45.11 H new ATOM 1512 N THR A 99 -11.232 15.498 -11.999 1.00 31.31 N ATOM 1513 CA THR A 99 -10.464 16.731 -12.112 1.00 50.14 C ATOM 1514 C THR A 99 -11.288 17.935 -11.669 1.00 70.35 C ATOM 1515 O THR A 99 -12.340 18.224 -12.240 1.00 62.33 O ATOM 1516 CB THR A 99 -9.978 16.959 -13.556 1.00 41.31 C ATOM 1517 OG1 THR A 99 -9.315 18.225 -13.656 1.00 32.24 O ATOM 1518 CG2 THR A 99 -11.143 16.913 -14.533 1.00 40.11 C ATOM 0 H THR A 99 -11.604 15.150 -12.883 1.00 31.31 H new ATOM 0 HA THR A 99 -9.599 16.626 -11.457 1.00 50.14 H new ATOM 0 HB THR A 99 -9.279 16.162 -13.810 1.00 41.31 H new ATOM 0 HG1 THR A 99 -9.008 18.362 -14.577 1.00 32.24 H new ATOM 0 HG21 THR A 99 -10.775 17.077 -15.546 1.00 40.11 H new ATOM 0 HG22 THR A 99 -11.627 15.938 -14.476 1.00 40.11 H new ATOM 0 HG23 THR A 99 -11.862 17.691 -14.278 1.00 40.11 H new ATOM 1526 N VAL A 100 -10.803 18.635 -10.649 1.00 33.44 N ATOM 1527 CA VAL A 100 -11.495 19.809 -10.130 1.00 45.02 C ATOM 1528 C VAL A 100 -10.989 21.083 -10.798 1.00 15.24 C ATOM 1529 O VAL A 100 -9.851 21.144 -11.261 1.00 61.04 O ATOM 1530 CB VAL A 100 -11.318 19.937 -8.605 1.00 61.44 C ATOM 1531 CG1 VAL A 100 -9.876 20.279 -8.261 1.00 54.45 C ATOM 1532 CG2 VAL A 100 -12.271 20.981 -8.045 1.00 33.14 C ATOM 0 H VAL A 100 -9.934 18.410 -10.165 1.00 33.44 H new ATOM 0 HA VAL A 100 -12.553 19.679 -10.355 1.00 45.02 H new ATOM 0 HB VAL A 100 -11.557 18.977 -8.147 1.00 61.44 H new ATOM 0 HG11 VAL A 100 -9.771 20.365 -7.180 1.00 54.45 H new ATOM 0 HG12 VAL A 100 -9.218 19.492 -8.628 1.00 54.45 H new ATOM 0 HG13 VAL A 100 -9.605 21.226 -8.729 1.00 54.45 H new ATOM 0 HG21 VAL A 100 -12.133 21.059 -6.967 1.00 33.14 H new ATOM 0 HG22 VAL A 100 -12.066 21.946 -8.508 1.00 33.14 H new ATOM 0 HG23 VAL A 100 -13.299 20.687 -8.259 1.00 33.14 H new ATOM 1542 N SER A 101 -11.844 22.100 -10.842 1.00 53.23 N ATOM 1543 CA SER A 101 -11.486 23.373 -11.456 1.00 51.42 C ATOM 1544 C SER A 101 -10.406 24.083 -10.645 1.00 62.32 C ATOM 1545 O SER A 101 -9.432 24.595 -11.199 1.00 14.32 O ATOM 1546 CB SER A 101 -12.720 24.270 -11.578 1.00 3.13 C ATOM 1547 OG SER A 101 -13.433 23.997 -12.771 1.00 72.21 O ATOM 0 H SER A 101 -12.789 22.067 -10.460 1.00 53.23 H new ATOM 0 HA SER A 101 -11.093 23.170 -12.452 1.00 51.42 H new ATOM 0 HB2 SER A 101 -13.372 24.116 -10.718 1.00 3.13 H new ATOM 0 HB3 SER A 101 -12.416 25.317 -11.564 1.00 3.13 H new ATOM 0 HG SER A 101 -14.218 24.582 -12.824 1.00 72.21 H new ATOM 1553 N THR A 102 -10.584 24.108 -9.328 1.00 54.40 N ATOM 1554 CA THR A 102 -9.627 24.755 -8.439 1.00 52.04 C ATOM 1555 C THR A 102 -9.488 23.988 -7.130 1.00 23.24 C ATOM 1556 O THR A 102 -10.412 23.296 -6.703 1.00 0.51 O ATOM 1557 CB THR A 102 -10.040 26.206 -8.130 1.00 1.34 C ATOM 1558 OG1 THR A 102 -11.141 26.218 -7.214 1.00 61.22 O ATOM 1559 CG2 THR A 102 -10.425 26.943 -9.404 1.00 14.05 C ATOM 0 H THR A 102 -11.383 23.687 -8.853 1.00 54.40 H new ATOM 0 HA THR A 102 -8.668 24.761 -8.957 1.00 52.04 H new ATOM 0 HB THR A 102 -9.188 26.714 -7.679 1.00 1.34 H new ATOM 0 HG1 THR A 102 -11.396 27.144 -7.021 1.00 61.22 H new ATOM 0 HG21 THR A 102 -10.713 27.966 -9.160 1.00 14.05 H new ATOM 0 HG22 THR A 102 -9.575 26.958 -10.086 1.00 14.05 H new ATOM 0 HG23 THR A 102 -11.263 26.434 -9.880 1.00 14.05 H new ATOM 1567 N ALA A 103 -8.327 24.115 -6.496 1.00 24.24 N ATOM 1568 CA ALA A 103 -8.068 23.435 -5.232 1.00 43.24 C ATOM 1569 C ALA A 103 -9.176 23.712 -4.223 1.00 13.13 C ATOM 1570 O ALA A 103 -9.570 22.829 -3.461 1.00 4.21 O ATOM 1571 CB ALA A 103 -6.720 23.862 -4.670 1.00 11.32 C ATOM 0 H ALA A 103 -7.551 24.682 -6.837 1.00 24.24 H new ATOM 0 HA ALA A 103 -8.046 22.362 -5.422 1.00 43.24 H new ATOM 0 HB1 ALA A 103 -6.539 23.347 -3.727 1.00 11.32 H new ATOM 0 HB2 ALA A 103 -5.933 23.607 -5.379 1.00 11.32 H new ATOM 0 HB3 ALA A 103 -6.721 24.939 -4.501 1.00 11.32 H new ATOM 1577 N ALA A 104 -9.676 24.944 -4.222 1.00 62.31 N ATOM 1578 CA ALA A 104 -10.740 25.336 -3.307 1.00 31.03 C ATOM 1579 C ALA A 104 -12.019 24.552 -3.583 1.00 43.43 C ATOM 1580 O ALA A 104 -12.633 24.006 -2.668 1.00 15.33 O ATOM 1581 CB ALA A 104 -11.002 26.831 -3.412 1.00 1.15 C ATOM 0 H ALA A 104 -9.361 25.687 -4.845 1.00 62.31 H new ATOM 0 HA ALA A 104 -10.416 25.105 -2.292 1.00 31.03 H new ATOM 0 HB1 ALA A 104 -11.799 27.110 -2.723 1.00 1.15 H new ATOM 0 HB2 ALA A 104 -10.094 27.378 -3.157 1.00 1.15 H new ATOM 0 HB3 ALA A 104 -11.300 27.077 -4.431 1.00 1.15 H new ATOM 1587 N ALA A 105 -12.414 24.502 -4.851 1.00 63.02 N ATOM 1588 CA ALA A 105 -13.619 23.784 -5.248 1.00 4.00 C ATOM 1589 C ALA A 105 -13.540 22.315 -4.846 1.00 44.13 C ATOM 1590 O ALA A 105 -14.557 21.685 -4.558 1.00 42.14 O ATOM 1591 CB ALA A 105 -13.839 23.912 -6.748 1.00 33.01 C ATOM 0 H ALA A 105 -11.917 24.950 -5.621 1.00 63.02 H new ATOM 0 HA ALA A 105 -14.467 24.231 -4.728 1.00 4.00 H new ATOM 0 HB1 ALA A 105 -14.742 23.371 -7.031 1.00 33.01 H new ATOM 0 HB2 ALA A 105 -13.949 24.964 -7.011 1.00 33.01 H new ATOM 0 HB3 ALA A 105 -12.984 23.493 -7.278 1.00 33.01 H new ATOM 1597 N ALA A 106 -12.325 21.775 -4.830 1.00 53.30 N ATOM 1598 CA ALA A 106 -12.114 20.381 -4.462 1.00 71.34 C ATOM 1599 C ALA A 106 -12.408 20.152 -2.984 1.00 5.34 C ATOM 1600 O ALA A 106 -13.233 19.312 -2.628 1.00 70.24 O ATOM 1601 CB ALA A 106 -10.690 19.958 -4.791 1.00 41.13 C ATOM 0 H ALA A 106 -11.473 22.282 -5.068 1.00 53.30 H new ATOM 0 HA ALA A 106 -12.806 19.770 -5.041 1.00 71.34 H new ATOM 0 HB1 ALA A 106 -10.546 18.914 -4.511 1.00 41.13 H new ATOM 0 HB2 ALA A 106 -10.514 20.074 -5.860 1.00 41.13 H new ATOM 0 HB3 ALA A 106 -9.988 20.582 -4.238 1.00 41.13 H new ATOM 1607 N GLU A 107 -11.726 20.905 -2.126 1.00 44.53 N ATOM 1608 CA GLU A 107 -11.913 20.783 -0.686 1.00 33.35 C ATOM 1609 C GLU A 107 -13.356 21.093 -0.296 1.00 62.14 C ATOM 1610 O GLU A 107 -13.921 20.456 0.591 1.00 20.23 O ATOM 1611 CB GLU A 107 -10.960 21.721 0.057 1.00 10.22 C ATOM 1612 CG GLU A 107 -11.090 23.176 -0.360 1.00 55.31 C ATOM 1613 CD GLU A 107 -10.160 24.091 0.413 1.00 32.31 C ATOM 1614 OE1 GLU A 107 -9.682 23.676 1.490 1.00 13.41 O ATOM 1615 OE2 GLU A 107 -9.910 25.220 -0.058 1.00 34.21 O ATOM 0 H GLU A 107 -11.039 21.606 -2.404 1.00 44.53 H new ATOM 0 HA GLU A 107 -11.691 19.754 -0.404 1.00 33.35 H new ATOM 0 HB2 GLU A 107 -11.146 21.641 1.128 1.00 10.22 H new ATOM 0 HB3 GLU A 107 -9.935 21.393 -0.114 1.00 10.22 H new ATOM 0 HG2 GLU A 107 -10.878 23.265 -1.425 1.00 55.31 H new ATOM 0 HG3 GLU A 107 -12.120 23.502 -0.212 1.00 55.31 H new ATOM 1622 N ASN A 108 -13.945 22.077 -0.968 1.00 0.23 N ATOM 1623 CA ASN A 108 -15.321 22.474 -0.692 1.00 31.30 C ATOM 1624 C ASN A 108 -16.282 21.315 -0.942 1.00 65.12 C ATOM 1625 O ASN A 108 -17.172 21.049 -0.136 1.00 20.54 O ATOM 1626 CB ASN A 108 -15.712 23.672 -1.560 1.00 33.53 C ATOM 1627 CG ASN A 108 -16.685 24.600 -0.859 1.00 32.02 C ATOM 1628 OD1 ASN A 108 -16.293 25.632 -0.315 1.00 41.50 O ATOM 1629 ND2 ASN A 108 -17.962 24.235 -0.869 1.00 11.44 N ATOM 0 H ASN A 108 -13.491 22.614 -1.707 1.00 0.23 H new ATOM 0 HA ASN A 108 -15.387 22.758 0.358 1.00 31.30 H new ATOM 0 HB2 ASN A 108 -14.815 24.228 -1.832 1.00 33.53 H new ATOM 0 HB3 ASN A 108 -16.159 23.315 -2.488 1.00 33.53 H new ATOM 0 HD21 ASN A 108 -18.663 24.819 -0.413 1.00 11.44 H new ATOM 0 HD22 ASN A 108 -18.242 23.371 -1.333 1.00 11.44 H new ATOM 1636 N MET A 109 -16.093 20.630 -2.065 1.00 73.51 N ATOM 1637 CA MET A 109 -16.942 19.498 -2.421 1.00 1.04 C ATOM 1638 C MET A 109 -16.703 18.322 -1.479 1.00 2.11 C ATOM 1639 O MET A 109 -17.631 17.588 -1.139 1.00 61.34 O ATOM 1640 CB MET A 109 -16.679 19.070 -3.866 1.00 13.51 C ATOM 1641 CG MET A 109 -17.529 17.892 -4.315 1.00 5.40 C ATOM 1642 SD MET A 109 -17.110 17.327 -5.975 1.00 65.10 S ATOM 1643 CE MET A 109 -16.342 15.750 -5.612 1.00 22.02 C ATOM 0 H MET A 109 -15.361 20.838 -2.744 1.00 73.51 H new ATOM 0 HA MET A 109 -17.982 19.812 -2.326 1.00 1.04 H new ATOM 0 HB2 MET A 109 -16.867 19.916 -4.527 1.00 13.51 H new ATOM 0 HB3 MET A 109 -15.626 18.810 -3.973 1.00 13.51 H new ATOM 0 HG2 MET A 109 -17.402 17.069 -3.612 1.00 5.40 H new ATOM 0 HG3 MET A 109 -18.581 18.176 -4.287 1.00 5.40 H new ATOM 0 HE1 MET A 109 -15.543 15.561 -6.329 1.00 22.02 H new ATOM 0 HE2 MET A 109 -15.928 15.771 -4.604 1.00 22.02 H new ATOM 0 HE3 MET A 109 -17.087 14.958 -5.682 1.00 22.02 H new ATOM 1653 N TYR A 110 -15.454 18.149 -1.061 1.00 1.42 N ATOM 1654 CA TYR A 110 -15.093 17.061 -0.160 1.00 60.13 C ATOM 1655 C TYR A 110 -15.889 17.142 1.139 1.00 71.34 C ATOM 1656 O TYR A 110 -16.417 16.139 1.620 1.00 43.01 O ATOM 1657 CB TYR A 110 -13.594 17.098 0.144 1.00 54.22 C ATOM 1658 CG TYR A 110 -12.993 15.733 0.392 1.00 3.52 C ATOM 1659 CD1 TYR A 110 -12.544 14.948 -0.663 1.00 3.33 C ATOM 1660 CD2 TYR A 110 -12.874 15.229 1.681 1.00 32.31 C ATOM 1661 CE1 TYR A 110 -11.994 13.701 -0.441 1.00 21.52 C ATOM 1662 CE2 TYR A 110 -12.324 13.983 1.913 1.00 74.25 C ATOM 1663 CZ TYR A 110 -11.886 13.222 0.848 1.00 0.45 C ATOM 1664 OH TYR A 110 -11.339 11.980 1.075 1.00 50.13 O ATOM 0 H TYR A 110 -14.674 18.748 -1.332 1.00 1.42 H new ATOM 0 HA TYR A 110 -15.334 16.120 -0.654 1.00 60.13 H new ATOM 0 HB2 TYR A 110 -13.074 17.569 -0.690 1.00 54.22 H new ATOM 0 HB3 TYR A 110 -13.425 17.725 1.019 1.00 54.22 H new ATOM 0 HD1 TYR A 110 -12.627 15.319 -1.674 1.00 3.33 H new ATOM 0 HD2 TYR A 110 -13.217 15.821 2.516 1.00 32.31 H new ATOM 0 HE1 TYR A 110 -11.650 13.104 -1.272 1.00 21.52 H new ATOM 0 HE2 TYR A 110 -12.237 13.607 2.922 1.00 74.25 H new ATOM 0 HH TYR A 110 -10.680 11.780 0.378 1.00 50.13 H new ATOM 1674 N SER A 111 -15.972 18.343 1.701 1.00 44.33 N ATOM 1675 CA SER A 111 -16.700 18.557 2.946 1.00 73.54 C ATOM 1676 C SER A 111 -18.194 18.714 2.680 1.00 15.03 C ATOM 1677 O SER A 111 -19.026 18.275 3.474 1.00 23.34 O ATOM 1678 CB SER A 111 -16.166 19.794 3.669 1.00 41.45 C ATOM 1679 OG SER A 111 -14.750 19.779 3.727 1.00 11.21 O ATOM 0 H SER A 111 -15.544 19.184 1.314 1.00 44.33 H new ATOM 0 HA SER A 111 -16.551 17.683 3.580 1.00 73.54 H new ATOM 0 HB2 SER A 111 -16.503 20.694 3.154 1.00 41.45 H new ATOM 0 HB3 SER A 111 -16.574 19.833 4.679 1.00 41.45 H new ATOM 0 HG SER A 111 -14.384 20.000 2.845 1.00 11.21 H new ATOM 1685 N GLN A 112 -18.527 19.344 1.558 1.00 4.12 N ATOM 1686 CA GLN A 112 -19.920 19.561 1.188 1.00 32.40 C ATOM 1687 C GLN A 112 -20.624 18.235 0.918 1.00 60.22 C ATOM 1688 O GLN A 112 -21.825 18.100 1.151 1.00 23.32 O ATOM 1689 CB GLN A 112 -20.008 20.459 -0.047 1.00 13.33 C ATOM 1690 CG GLN A 112 -21.434 20.766 -0.475 1.00 51.42 C ATOM 1691 CD GLN A 112 -21.721 22.254 -0.525 1.00 41.20 C ATOM 1692 OE1 GLN A 112 -21.242 23.019 0.313 1.00 62.12 O ATOM 1693 NE2 GLN A 112 -22.506 22.673 -1.510 1.00 51.34 N ATOM 0 H GLN A 112 -17.851 19.713 0.890 1.00 4.12 H new ATOM 0 HA GLN A 112 -20.419 20.053 2.023 1.00 32.40 H new ATOM 0 HB2 GLN A 112 -19.489 21.396 0.157 1.00 13.33 H new ATOM 0 HB3 GLN A 112 -19.485 19.978 -0.874 1.00 13.33 H new ATOM 0 HG2 GLN A 112 -21.616 20.332 -1.458 1.00 51.42 H new ATOM 0 HG3 GLN A 112 -22.128 20.289 0.217 1.00 51.42 H new ATOM 0 HE21 GLN A 112 -22.881 22.004 -2.183 1.00 51.34 H new ATOM 0 HE22 GLN A 112 -22.734 23.664 -1.594 1.00 51.34 H new ATOM 1702 N MET A 113 -19.868 17.259 0.424 1.00 14.31 N ATOM 1703 CA MET A 113 -20.420 15.944 0.123 1.00 74.42 C ATOM 1704 C MET A 113 -20.641 15.141 1.401 1.00 12.01 C ATOM 1705 O MET A 113 -21.364 14.145 1.403 1.00 5.23 O ATOM 1706 CB MET A 113 -19.488 15.179 -0.819 1.00 22.04 C ATOM 1707 CG MET A 113 -19.809 15.384 -2.290 1.00 63.32 C ATOM 1708 SD MET A 113 -20.115 13.832 -3.157 1.00 1.33 S ATOM 1709 CE MET A 113 -18.459 13.413 -3.696 1.00 11.22 C ATOM 0 H MET A 113 -18.872 17.355 0.224 1.00 14.31 H new ATOM 0 HA MET A 113 -21.383 16.086 -0.367 1.00 74.42 H new ATOM 0 HB2 MET A 113 -18.460 15.491 -0.633 1.00 22.04 H new ATOM 0 HB3 MET A 113 -19.545 14.115 -0.588 1.00 22.04 H new ATOM 0 HG2 MET A 113 -20.686 16.025 -2.381 1.00 63.32 H new ATOM 0 HG3 MET A 113 -18.981 15.906 -2.769 1.00 63.32 H new ATOM 0 HE1 MET A 113 -18.447 13.298 -4.780 1.00 11.22 H new ATOM 0 HE2 MET A 113 -17.771 14.208 -3.408 1.00 11.22 H new ATOM 0 HE3 MET A 113 -18.150 12.478 -3.228 1.00 11.22 H new ATOM 1719 N GLY A 114 -20.013 15.582 2.487 1.00 34.43 N ATOM 1720 CA GLY A 114 -20.154 14.892 3.756 1.00 31.14 C ATOM 1721 C GLY A 114 -18.981 13.980 4.054 1.00 64.32 C ATOM 1722 O GLY A 114 -19.096 13.047 4.850 1.00 61.43 O ATOM 0 H GLY A 114 -19.410 16.404 2.511 1.00 34.43 H new ATOM 0 HA2 GLY A 114 -20.252 15.626 4.556 1.00 31.14 H new ATOM 0 HA3 GLY A 114 -21.073 14.306 3.747 1.00 31.14 H new ATOM 1726 N LEU A 115 -17.848 14.247 3.413 1.00 53.03 N ATOM 1727 CA LEU A 115 -16.648 13.442 3.611 1.00 31.23 C ATOM 1728 C LEU A 115 -15.798 14.003 4.746 1.00 24.04 C ATOM 1729 O LEU A 115 -15.279 13.255 5.575 1.00 21.22 O ATOM 1730 CB LEU A 115 -15.827 13.388 2.322 1.00 40.22 C ATOM 1731 CG LEU A 115 -16.626 13.310 1.020 1.00 4.23 C ATOM 1732 CD1 LEU A 115 -15.715 13.524 -0.179 1.00 3.34 C ATOM 1733 CD2 LEU A 115 -17.344 11.973 0.915 1.00 62.24 C ATOM 0 H LEU A 115 -17.736 15.015 2.751 1.00 53.03 H new ATOM 0 HA LEU A 115 -16.958 12.432 3.879 1.00 31.23 H new ATOM 0 HB2 LEU A 115 -15.191 14.273 2.282 1.00 40.22 H new ATOM 0 HB3 LEU A 115 -15.166 12.523 2.372 1.00 40.22 H new ATOM 0 HG LEU A 115 -17.375 14.102 1.027 1.00 4.23 H new ATOM 0 HD11 LEU A 115 -16.301 13.465 -1.096 1.00 3.34 H new ATOM 0 HD12 LEU A 115 -15.247 14.506 -0.110 1.00 3.34 H new ATOM 0 HD13 LEU A 115 -14.943 12.754 -0.191 1.00 3.34 H new ATOM 0 HD21 LEU A 115 -17.907 11.935 -0.017 1.00 62.24 H new ATOM 0 HD22 LEU A 115 -16.613 11.165 0.930 1.00 62.24 H new ATOM 0 HD23 LEU A 115 -18.027 11.860 1.757 1.00 62.24 H new