USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=18 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 -172:sc= 0 (180deg=0) USER MOD Set 1.2: A 113 MET CE :methyl -134:sc= 0 (180deg=-0.884) USER MOD Set 2.1: A 88 LYS NZ :NH3+ -121:sc= -0.219 (180deg=-0.955) USER MOD Set 2.2: A 111 SER OG : rot -150:sc= 0 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 86:sc= -0.0258 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.12) 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 K(o=0,f=-1.1) USER MOD Single : A 41 MET CE :methyl 161:sc= -2.56 (180deg=-3.61!) USER MOD Single : A 43 ASN : amide:sc= -0.352 K(o=-0.35,f=-1.4!) USER MOD Single : A 45 SER OG : rot 104:sc= 1.3 USER MOD Single : A 46 THR OG1 : rot 27:sc= 1.21 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.164 USER MOD Single : A 59 GLN : amide:sc= -5.48 K(o=-5.5,f=-9.4!) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.26 K(o=-0.26,f=-1.9!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.0962 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 61:sc= 1.27 USER MOD Single : A 97 ASN : amide:sc= -0.0434 X(o=-0.043,f=-0.48) 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 132:sc= 0.18 USER MOD Single : A 108 ASN : amide:sc= -0.5 K(o=-0.5,f=-2.2) USER MOD Single : A 110 TYR OH : rot -130:sc= -1.53 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 46 N GLY A 6 3.136 3.800 -11.375 1.00 52.51 N ATOM 47 CA GLY A 6 1.821 3.206 -11.526 1.00 33.22 C ATOM 48 C GLY A 6 0.893 4.058 -12.369 1.00 21.52 C ATOM 49 O GLY A 6 1.191 5.219 -12.652 1.00 75.42 O ATOM 0 HA2 GLY A 6 1.921 2.222 -11.983 1.00 33.22 H new ATOM 0 HA3 GLY A 6 1.378 3.057 -10.541 1.00 33.22 H new ATOM 53 N ARG A 7 -0.233 3.481 -12.774 1.00 30.13 N ATOM 54 CA ARG A 7 -1.206 4.195 -13.593 1.00 12.11 C ATOM 55 C ARG A 7 -1.928 5.261 -12.774 1.00 5.22 C ATOM 56 O ARG A 7 -1.889 6.446 -13.107 1.00 4.22 O ATOM 57 CB ARG A 7 -2.221 3.216 -14.185 1.00 23.24 C ATOM 58 CG ARG A 7 -1.588 1.980 -14.802 1.00 21.45 C ATOM 59 CD ARG A 7 -2.580 1.220 -15.669 1.00 22.23 C ATOM 60 NE ARG A 7 -1.939 0.144 -16.420 1.00 71.33 N ATOM 61 CZ ARG A 7 -2.466 -0.411 -17.505 1.00 0.42 C ATOM 62 NH1 ARG A 7 -3.638 0.005 -17.964 1.00 15.13 N ATOM 63 NH2 ARG A 7 -1.822 -1.387 -18.133 1.00 24.31 N ATOM 0 H ARG A 7 -0.495 2.521 -12.549 1.00 30.13 H new ATOM 0 HA ARG A 7 -0.670 4.687 -14.405 1.00 12.11 H new ATOM 0 HB2 ARG A 7 -2.914 2.907 -13.402 1.00 23.24 H new ATOM 0 HB3 ARG A 7 -2.809 3.731 -14.945 1.00 23.24 H new ATOM 0 HG2 ARG A 7 -0.727 2.272 -15.403 1.00 21.45 H new ATOM 0 HG3 ARG A 7 -1.218 1.326 -14.012 1.00 21.45 H new ATOM 0 HD2 ARG A 7 -3.367 0.804 -15.040 1.00 22.23 H new ATOM 0 HD3 ARG A 7 -3.059 1.911 -16.363 1.00 22.23 H new ATOM 0 HE ARG A 7 -1.036 -0.200 -16.093 1.00 71.33 H new ATOM 0 HH11 ARG A 7 -4.137 0.753 -17.483 1.00 15.13 H new ATOM 0 HH12 ARG A 7 -4.040 -0.423 -18.798 1.00 15.13 H new ATOM 0 HH21 ARG A 7 -0.921 -1.712 -17.782 1.00 24.31 H new ATOM 0 HH22 ARG A 7 -2.228 -1.812 -18.966 1.00 24.31 H new ATOM 77 N ASP A 8 -2.586 4.832 -11.703 1.00 12.13 N ATOM 78 CA ASP A 8 -3.317 5.750 -10.836 1.00 0.40 C ATOM 79 C ASP A 8 -2.403 6.860 -10.327 1.00 61.12 C ATOM 80 O ASP A 8 -2.860 7.960 -10.017 1.00 22.02 O ATOM 81 CB ASP A 8 -3.927 4.993 -9.656 1.00 15.51 C ATOM 82 CG ASP A 8 -5.253 5.581 -9.213 1.00 61.34 C ATOM 83 OD1 ASP A 8 -6.285 5.250 -9.832 1.00 20.54 O ATOM 84 OD2 ASP A 8 -5.256 6.373 -8.248 1.00 32.33 O ATOM 0 H ASP A 8 -2.629 3.855 -11.414 1.00 12.13 H new ATOM 0 HA ASP A 8 -4.118 6.203 -11.420 1.00 0.40 H new ATOM 0 HB2 ASP A 8 -4.071 3.949 -9.933 1.00 15.51 H new ATOM 0 HB3 ASP A 8 -3.229 5.007 -8.819 1.00 15.51 H new ATOM 89 N TRP A 9 -1.112 6.563 -10.242 1.00 61.04 N ATOM 90 CA TRP A 9 -0.134 7.537 -9.769 1.00 45.03 C ATOM 91 C TRP A 9 0.157 8.581 -10.841 1.00 41.24 C ATOM 92 O TRP A 9 -0.151 9.761 -10.673 1.00 2.44 O ATOM 93 CB TRP A 9 1.161 6.832 -9.361 1.00 70.24 C ATOM 94 CG TRP A 9 1.992 7.626 -8.399 1.00 15.14 C ATOM 95 CD1 TRP A 9 3.266 8.076 -8.592 1.00 71.13 C ATOM 96 CD2 TRP A 9 1.605 8.062 -7.090 1.00 12.23 C ATOM 97 NE1 TRP A 9 3.695 8.765 -7.483 1.00 42.20 N ATOM 98 CE2 TRP A 9 2.694 8.772 -6.548 1.00 40.53 C ATOM 99 CE3 TRP A 9 0.444 7.923 -6.324 1.00 1.12 C ATOM 100 CZ2 TRP A 9 2.655 9.338 -5.278 1.00 54.21 C ATOM 101 CZ3 TRP A 9 0.407 8.486 -5.063 1.00 14.42 C ATOM 102 CH2 TRP A 9 1.506 9.187 -4.550 1.00 61.14 C ATOM 0 H TRP A 9 -0.718 5.657 -10.494 1.00 61.04 H new ATOM 0 HA TRP A 9 -0.553 8.044 -8.900 1.00 45.03 H new ATOM 0 HB2 TRP A 9 0.916 5.870 -8.911 1.00 70.24 H new ATOM 0 HB3 TRP A 9 1.750 6.625 -10.254 1.00 70.24 H new ATOM 0 HD1 TRP A 9 3.851 7.914 -9.485 1.00 71.13 H new ATOM 0 HE1 TRP A 9 4.611 9.201 -7.374 1.00 42.20 H new ATOM 0 HE3 TRP A 9 -0.409 7.385 -6.711 1.00 1.12 H new ATOM 0 HZ2 TRP A 9 3.502 9.878 -4.880 1.00 54.21 H new ATOM 0 HZ3 TRP A 9 -0.485 8.384 -4.462 1.00 14.42 H new ATOM 0 HH2 TRP A 9 1.445 9.617 -3.561 1.00 61.14 H new ATOM 113 N LYS A 10 0.755 8.141 -11.944 1.00 0.45 N ATOM 114 CA LYS A 10 1.086 9.036 -13.046 1.00 35.15 C ATOM 115 C LYS A 10 -0.159 9.754 -13.557 1.00 72.13 C ATOM 116 O LYS A 10 -0.074 10.858 -14.093 1.00 72.35 O ATOM 117 CB LYS A 10 1.742 8.255 -14.185 1.00 44.14 C ATOM 118 CG LYS A 10 3.238 8.489 -14.301 1.00 41.43 C ATOM 119 CD LYS A 10 3.545 9.788 -15.027 1.00 54.33 C ATOM 120 CE LYS A 10 4.404 10.712 -14.176 1.00 2.44 C ATOM 121 NZ LYS A 10 4.378 12.113 -14.680 1.00 2.02 N ATOM 0 H LYS A 10 1.020 7.168 -12.098 1.00 0.45 H new ATOM 0 HA LYS A 10 1.788 9.783 -12.676 1.00 35.15 H new ATOM 0 HB2 LYS A 10 1.560 7.191 -14.036 1.00 44.14 H new ATOM 0 HB3 LYS A 10 1.266 8.532 -15.125 1.00 44.14 H new ATOM 0 HG2 LYS A 10 3.681 8.514 -13.306 1.00 41.43 H new ATOM 0 HG3 LYS A 10 3.697 7.656 -14.834 1.00 41.43 H new ATOM 0 HD2 LYS A 10 4.060 9.570 -15.963 1.00 54.33 H new ATOM 0 HD3 LYS A 10 2.613 10.291 -15.285 1.00 54.33 H new ATOM 0 HE2 LYS A 10 4.050 10.690 -13.145 1.00 2.44 H new ATOM 0 HE3 LYS A 10 5.431 10.348 -14.168 1.00 2.44 H new ATOM 0 HZ1 LYS A 10 4.975 12.711 -14.074 1.00 2.02 H new ATOM 0 HZ2 LYS A 10 4.740 12.138 -15.655 1.00 2.02 H new ATOM 0 HZ3 LYS A 10 3.401 12.470 -14.664 1.00 2.02 H new ATOM 135 N MET A 11 -1.314 9.121 -13.385 1.00 3.33 N ATOM 136 CA MET A 11 -2.577 9.701 -13.827 1.00 2.22 C ATOM 137 C MET A 11 -3.007 10.835 -12.903 1.00 51.02 C ATOM 138 O MET A 11 -3.231 11.961 -13.348 1.00 42.22 O ATOM 139 CB MET A 11 -3.666 8.628 -13.878 1.00 20.32 C ATOM 140 CG MET A 11 -3.571 7.722 -15.096 1.00 63.51 C ATOM 141 SD MET A 11 -4.575 8.307 -16.475 1.00 1.21 S ATOM 142 CE MET A 11 -5.803 7.007 -16.575 1.00 52.31 C ATOM 0 H MET A 11 -1.402 8.206 -12.943 1.00 3.33 H new ATOM 0 HA MET A 11 -2.431 10.107 -14.828 1.00 2.22 H new ATOM 0 HB2 MET A 11 -3.606 8.018 -12.976 1.00 20.32 H new ATOM 0 HB3 MET A 11 -4.642 9.112 -13.871 1.00 20.32 H new ATOM 0 HG2 MET A 11 -2.530 7.653 -15.413 1.00 63.51 H new ATOM 0 HG3 MET A 11 -3.888 6.716 -14.822 1.00 63.51 H new ATOM 0 HE1 MET A 11 -6.499 7.226 -17.384 1.00 52.31 H new ATOM 0 HE2 MET A 11 -5.310 6.055 -16.768 1.00 52.31 H new ATOM 0 HE3 MET A 11 -6.348 6.948 -15.633 1.00 52.31 H new ATOM 152 N ALA A 12 -3.121 10.532 -11.614 1.00 2.22 N ATOM 153 CA ALA A 12 -3.523 11.527 -10.628 1.00 73.13 C ATOM 154 C ALA A 12 -2.630 12.760 -10.696 1.00 65.14 C ATOM 155 O ALA A 12 -3.110 13.891 -10.613 1.00 54.35 O ATOM 156 CB ALA A 12 -3.491 10.926 -9.230 1.00 71.25 C ATOM 0 H ALA A 12 -2.941 9.605 -11.228 1.00 2.22 H new ATOM 0 HA ALA A 12 -4.543 11.837 -10.856 1.00 73.13 H new ATOM 0 HB1 ALA A 12 -3.793 11.680 -8.503 1.00 71.25 H new ATOM 0 HB2 ALA A 12 -4.176 10.080 -9.182 1.00 71.25 H new ATOM 0 HB3 ALA A 12 -2.480 10.587 -9.003 1.00 71.25 H new ATOM 162 N ILE A 13 -1.329 12.535 -10.849 1.00 2.31 N ATOM 163 CA ILE A 13 -0.368 13.629 -10.930 1.00 13.34 C ATOM 164 C ILE A 13 -0.501 14.380 -12.250 1.00 52.01 C ATOM 165 O ILE A 13 -0.520 15.611 -12.278 1.00 22.43 O ATOM 166 CB ILE A 13 1.078 13.120 -10.784 1.00 70.31 C ATOM 167 CG1 ILE A 13 1.253 12.391 -9.450 1.00 23.22 C ATOM 168 CG2 ILE A 13 2.059 14.278 -10.895 1.00 41.32 C ATOM 169 CD1 ILE A 13 1.067 13.286 -8.245 1.00 52.12 C ATOM 0 H ILE A 13 -0.916 11.605 -10.919 1.00 2.31 H new ATOM 0 HA ILE A 13 -0.590 14.307 -10.106 1.00 13.34 H new ATOM 0 HB ILE A 13 1.284 12.416 -11.590 1.00 70.31 H new ATOM 0 HG12 ILE A 13 0.538 11.570 -9.397 1.00 23.22 H new ATOM 0 HG13 ILE A 13 2.249 11.949 -9.414 1.00 23.22 H new ATOM 0 HG21 ILE A 13 3.077 13.904 -10.790 1.00 41.32 H new ATOM 0 HG22 ILE A 13 1.947 14.758 -11.867 1.00 41.32 H new ATOM 0 HG23 ILE A 13 1.856 15.003 -10.107 1.00 41.32 H new ATOM 0 HD11 ILE A 13 1.205 12.703 -7.334 1.00 52.12 H new ATOM 0 HD12 ILE A 13 1.799 14.093 -8.274 1.00 52.12 H new ATOM 0 HD13 ILE A 13 0.062 13.708 -8.257 1.00 52.12 H new ATOM 181 N LYS A 14 -0.593 13.632 -13.344 1.00 23.11 N ATOM 182 CA LYS A 14 -0.728 14.225 -14.669 1.00 61.32 C ATOM 183 C LYS A 14 -1.873 15.232 -14.700 1.00 44.24 C ATOM 184 O LYS A 14 -1.808 16.239 -15.407 1.00 44.21 O ATOM 185 CB LYS A 14 -0.963 13.135 -15.717 1.00 43.02 C ATOM 186 CG LYS A 14 0.312 12.636 -16.373 1.00 62.13 C ATOM 187 CD LYS A 14 0.386 13.047 -17.834 1.00 53.14 C ATOM 188 CE LYS A 14 1.793 13.477 -18.222 1.00 34.53 C ATOM 189 NZ LYS A 14 1.919 13.708 -19.687 1.00 33.35 N ATOM 0 H LYS A 14 -0.576 12.612 -13.339 1.00 23.11 H new ATOM 0 HA LYS A 14 0.199 14.749 -14.902 1.00 61.32 H new ATOM 0 HB2 LYS A 14 -1.472 12.294 -15.246 1.00 43.02 H new ATOM 0 HB3 LYS A 14 -1.631 13.521 -16.487 1.00 43.02 H new ATOM 0 HG2 LYS A 14 1.176 13.032 -15.839 1.00 62.13 H new ATOM 0 HG3 LYS A 14 0.360 11.550 -16.297 1.00 62.13 H new ATOM 0 HD2 LYS A 14 0.072 12.214 -18.464 1.00 53.14 H new ATOM 0 HD3 LYS A 14 -0.310 13.866 -18.018 1.00 53.14 H new ATOM 0 HE2 LYS A 14 2.054 14.390 -17.687 1.00 34.53 H new ATOM 0 HE3 LYS A 14 2.505 12.712 -17.913 1.00 34.53 H new ATOM 0 HZ1 LYS A 14 2.892 13.999 -19.910 1.00 33.35 H new ATOM 0 HZ2 LYS A 14 1.695 12.830 -20.197 1.00 33.35 H new ATOM 0 HZ3 LYS A 14 1.258 14.456 -19.979 1.00 33.35 H new ATOM 203 N ARG A 15 -2.920 14.955 -13.931 1.00 1.42 N ATOM 204 CA ARG A 15 -4.079 15.837 -13.872 1.00 32.44 C ATOM 205 C ARG A 15 -3.917 16.874 -12.764 1.00 55.30 C ATOM 206 O ARG A 15 -4.256 18.044 -12.941 1.00 31.42 O ATOM 207 CB ARG A 15 -5.355 15.023 -13.640 1.00 63.34 C ATOM 208 CG ARG A 15 -6.525 15.468 -14.503 1.00 73.21 C ATOM 209 CD ARG A 15 -7.517 14.337 -14.722 1.00 62.40 C ATOM 210 NE ARG A 15 -7.527 13.879 -16.108 1.00 64.32 N ATOM 211 CZ ARG A 15 -8.523 13.184 -16.646 1.00 52.53 C ATOM 212 NH1 ARG A 15 -9.584 12.868 -15.917 1.00 31.44 N ATOM 213 NH2 ARG A 15 -8.458 12.802 -17.916 1.00 31.34 N ATOM 0 H ARG A 15 -2.990 14.127 -13.340 1.00 1.42 H new ATOM 0 HA ARG A 15 -4.156 16.358 -14.826 1.00 32.44 H new ATOM 0 HB2 ARG A 15 -5.147 13.972 -13.839 1.00 63.34 H new ATOM 0 HB3 ARG A 15 -5.639 15.099 -12.590 1.00 63.34 H new ATOM 0 HG2 ARG A 15 -7.030 16.309 -14.028 1.00 73.21 H new ATOM 0 HG3 ARG A 15 -6.155 15.821 -15.466 1.00 73.21 H new ATOM 0 HD2 ARG A 15 -7.266 13.503 -14.066 1.00 62.40 H new ATOM 0 HD3 ARG A 15 -8.516 14.672 -14.444 1.00 62.40 H new ATOM 0 HE ARG A 15 -6.725 14.105 -16.696 1.00 64.32 H new ATOM 0 HH11 ARG A 15 -9.637 13.159 -14.941 1.00 31.44 H new ATOM 0 HH12 ARG A 15 -10.348 12.334 -16.332 1.00 31.44 H new ATOM 0 HH21 ARG A 15 -7.643 13.042 -18.480 1.00 31.34 H new ATOM 0 HH22 ARG A 15 -9.223 12.268 -18.328 1.00 31.34 H new ATOM 227 N CYS A 16 -3.398 16.436 -11.622 1.00 41.03 N ATOM 228 CA CYS A 16 -3.192 17.325 -10.484 1.00 61.11 C ATOM 229 C CYS A 16 -2.361 18.539 -10.887 1.00 40.00 C ATOM 230 O CYS A 16 -2.576 19.644 -10.388 1.00 0.10 O ATOM 231 CB CYS A 16 -2.503 16.577 -9.343 1.00 11.23 C ATOM 232 SG CYS A 16 -3.643 15.762 -8.200 1.00 30.22 S ATOM 0 H CYS A 16 -3.112 15.470 -11.460 1.00 41.03 H new ATOM 0 HA CYS A 16 -4.168 17.671 -10.144 1.00 61.11 H new ATOM 0 HB2 CYS A 16 -1.833 15.829 -9.766 1.00 11.23 H new ATOM 0 HB3 CYS A 16 -1.885 17.279 -8.784 1.00 11.23 H new ATOM 0 HG CYS A 16 -3.947 14.584 -8.657 1.00 30.22 H new ATOM 238 N SER A 17 -1.411 18.325 -11.792 1.00 73.53 N ATOM 239 CA SER A 17 -0.543 19.401 -12.257 1.00 31.42 C ATOM 240 C SER A 17 -1.357 20.502 -12.932 1.00 75.13 C ATOM 241 O SER A 17 -0.920 21.649 -13.014 1.00 60.31 O ATOM 242 CB SER A 17 0.503 18.856 -13.230 1.00 44.33 C ATOM 243 OG SER A 17 0.828 19.816 -14.222 1.00 15.23 O ATOM 0 H SER A 17 -1.223 17.417 -12.217 1.00 73.53 H new ATOM 0 HA SER A 17 -0.036 19.826 -11.391 1.00 31.42 H new ATOM 0 HB2 SER A 17 1.403 18.576 -12.682 1.00 44.33 H new ATOM 0 HB3 SER A 17 0.125 17.951 -13.706 1.00 44.33 H new ATOM 0 HG SER A 17 1.500 19.443 -14.830 1.00 15.23 H new ATOM 249 N ASN A 18 -2.542 20.143 -13.411 1.00 4.04 N ATOM 250 CA ASN A 18 -3.419 21.099 -14.079 1.00 11.11 C ATOM 251 C ASN A 18 -4.555 21.531 -13.158 1.00 33.32 C ATOM 252 O ASN A 18 -5.661 21.822 -13.612 1.00 4.44 O ATOM 253 CB ASN A 18 -3.990 20.489 -15.361 1.00 35.51 C ATOM 254 CG ASN A 18 -4.498 21.543 -16.326 1.00 32.44 C ATOM 255 OD1 ASN A 18 -5.678 21.563 -16.676 1.00 2.11 O ATOM 256 ND2 ASN A 18 -3.607 22.428 -16.760 1.00 54.50 N ATOM 0 H ASN A 18 -2.918 19.197 -13.350 1.00 4.04 H new ATOM 0 HA ASN A 18 -2.829 21.979 -14.335 1.00 11.11 H new ATOM 0 HB2 ASN A 18 -3.220 19.893 -15.851 1.00 35.51 H new ATOM 0 HB3 ASN A 18 -4.804 19.811 -15.106 1.00 35.51 H new ATOM 0 HD21 ASN A 18 -3.891 23.161 -17.409 1.00 54.50 H new ATOM 0 HD22 ASN A 18 -2.639 22.374 -16.444 1.00 54.50 H new ATOM 263 N VAL A 19 -4.273 21.573 -11.859 1.00 4.44 N ATOM 264 CA VAL A 19 -5.271 21.971 -10.873 1.00 73.43 C ATOM 265 C VAL A 19 -4.837 23.230 -10.131 1.00 12.24 C ATOM 266 O VAL A 19 -3.888 23.205 -9.349 1.00 33.41 O ATOM 267 CB VAL A 19 -5.529 20.849 -9.850 1.00 54.05 C ATOM 268 CG1 VAL A 19 -6.621 21.257 -8.874 1.00 13.21 C ATOM 269 CG2 VAL A 19 -5.894 19.554 -10.561 1.00 64.13 C ATOM 0 H VAL A 19 -3.362 21.336 -11.466 1.00 4.44 H new ATOM 0 HA VAL A 19 -6.193 22.173 -11.419 1.00 73.43 H new ATOM 0 HB VAL A 19 -4.613 20.680 -9.283 1.00 54.05 H new ATOM 0 HG11 VAL A 19 -6.789 20.452 -8.159 1.00 13.21 H new ATOM 0 HG12 VAL A 19 -6.315 22.157 -8.341 1.00 13.21 H new ATOM 0 HG13 VAL A 19 -7.543 21.455 -9.421 1.00 13.21 H new ATOM 0 HG21 VAL A 19 -6.073 18.772 -9.823 1.00 64.13 H new ATOM 0 HG22 VAL A 19 -6.796 19.706 -11.154 1.00 64.13 H new ATOM 0 HG23 VAL A 19 -5.075 19.255 -11.215 1.00 64.13 H new ATOM 279 N ALA A 20 -5.540 24.330 -10.382 1.00 35.12 N ATOM 280 CA ALA A 20 -5.230 25.599 -9.736 1.00 13.02 C ATOM 281 C ALA A 20 -5.352 25.487 -8.219 1.00 11.11 C ATOM 282 O ALA A 20 -6.430 25.212 -7.692 1.00 51.31 O ATOM 283 CB ALA A 20 -6.144 26.696 -10.261 1.00 63.45 C ATOM 0 H ALA A 20 -6.328 24.367 -11.028 1.00 35.12 H new ATOM 0 HA ALA A 20 -4.198 25.857 -9.974 1.00 13.02 H new ATOM 0 HB1 ALA A 20 -5.901 27.638 -9.770 1.00 63.45 H new ATOM 0 HB2 ALA A 20 -6.005 26.801 -11.337 1.00 63.45 H new ATOM 0 HB3 ALA A 20 -7.182 26.435 -10.053 1.00 63.45 H new ATOM 289 N VAL A 21 -4.240 25.703 -7.523 1.00 11.53 N ATOM 290 CA VAL A 21 -4.223 25.627 -6.067 1.00 13.44 C ATOM 291 C VAL A 21 -4.989 26.789 -5.447 1.00 72.41 C ATOM 292 O VAL A 21 -5.497 26.688 -4.332 1.00 52.11 O ATOM 293 CB VAL A 21 -2.783 25.625 -5.522 1.00 72.30 C ATOM 294 CG1 VAL A 21 -2.001 26.806 -6.076 1.00 23.21 C ATOM 295 CG2 VAL A 21 -2.789 25.645 -4.001 1.00 31.41 C ATOM 0 H VAL A 21 -3.340 25.932 -7.944 1.00 11.53 H new ATOM 0 HA VAL A 21 -4.708 24.690 -5.793 1.00 13.44 H new ATOM 0 HB VAL A 21 -2.291 24.709 -5.848 1.00 72.30 H new ATOM 0 HG11 VAL A 21 -0.986 26.788 -5.680 1.00 23.21 H new ATOM 0 HG12 VAL A 21 -1.967 26.742 -7.164 1.00 23.21 H new ATOM 0 HG13 VAL A 21 -2.489 27.735 -5.782 1.00 23.21 H new ATOM 0 HG21 VAL A 21 -1.763 25.643 -3.633 1.00 31.41 H new ATOM 0 HG22 VAL A 21 -3.299 26.543 -3.651 1.00 31.41 H new ATOM 0 HG23 VAL A 21 -3.310 24.763 -3.628 1.00 31.41 H new ATOM 375 N LYS A 28 -2.313 29.586 -10.788 1.00 2.04 N ATOM 376 CA LYS A 28 -1.217 28.698 -10.422 1.00 61.44 C ATOM 377 C LYS A 28 -1.745 27.351 -9.941 1.00 13.43 C ATOM 378 O LYS A 28 -2.629 27.288 -9.086 1.00 42.41 O ATOM 379 CB LYS A 28 -0.356 29.339 -9.331 1.00 31.12 C ATOM 380 CG LYS A 28 1.132 29.094 -9.507 1.00 22.31 C ATOM 381 CD LYS A 28 1.959 30.114 -8.742 1.00 52.22 C ATOM 382 CE LYS A 28 2.987 30.786 -9.641 1.00 13.41 C ATOM 383 NZ LYS A 28 3.991 31.555 -8.856 1.00 73.21 N ATOM 0 HA LYS A 28 -0.605 28.533 -11.309 1.00 61.44 H new ATOM 0 HB2 LYS A 28 -0.540 30.413 -9.320 1.00 31.12 H new ATOM 0 HB3 LYS A 28 -0.667 28.952 -8.361 1.00 31.12 H new ATOM 0 HG2 LYS A 28 1.380 28.090 -9.161 1.00 22.31 H new ATOM 0 HG3 LYS A 28 1.386 29.138 -10.566 1.00 22.31 H new ATOM 0 HD2 LYS A 28 1.301 30.869 -8.313 1.00 52.22 H new ATOM 0 HD3 LYS A 28 2.466 29.623 -7.911 1.00 52.22 H new ATOM 0 HE2 LYS A 28 3.495 30.030 -10.240 1.00 13.41 H new ATOM 0 HE3 LYS A 28 2.480 31.455 -10.336 1.00 13.41 H new ATOM 0 HZ1 LYS A 28 4.673 31.998 -9.504 1.00 73.21 H new ATOM 0 HZ2 LYS A 28 3.509 32.293 -8.304 1.00 73.21 H new ATOM 0 HZ3 LYS A 28 4.493 30.912 -8.211 1.00 73.21 H new ATOM 397 N LYS A 29 -1.199 26.274 -10.495 1.00 73.23 N ATOM 398 CA LYS A 29 -1.613 24.926 -10.120 1.00 63.54 C ATOM 399 C LYS A 29 -0.505 24.211 -9.353 1.00 2.12 C ATOM 400 O LYS A 29 0.630 24.684 -9.296 1.00 51.33 O ATOM 401 CB LYS A 29 -1.987 24.121 -11.367 1.00 31.44 C ATOM 402 CG LYS A 29 -3.052 24.786 -12.222 1.00 44.45 C ATOM 403 CD LYS A 29 -2.552 25.041 -13.635 1.00 41.41 C ATOM 404 CE LYS A 29 -3.445 26.027 -14.372 1.00 11.41 C ATOM 405 NZ LYS A 29 -2.877 26.407 -15.696 1.00 12.31 N ATOM 0 H LYS A 29 -0.468 26.308 -11.206 1.00 73.23 H new ATOM 0 HA LYS A 29 -2.486 25.007 -9.472 1.00 63.54 H new ATOM 0 HB2 LYS A 29 -1.093 23.965 -11.971 1.00 31.44 H new ATOM 0 HB3 LYS A 29 -2.341 23.136 -11.061 1.00 31.44 H new ATOM 0 HG2 LYS A 29 -3.939 24.154 -12.257 1.00 44.45 H new ATOM 0 HG3 LYS A 29 -3.351 25.729 -11.765 1.00 44.45 H new ATOM 0 HD2 LYS A 29 -1.534 25.428 -13.598 1.00 41.41 H new ATOM 0 HD3 LYS A 29 -2.515 24.100 -14.185 1.00 41.41 H new ATOM 0 HE2 LYS A 29 -4.432 25.588 -14.513 1.00 11.41 H new ATOM 0 HE3 LYS A 29 -3.578 26.922 -13.764 1.00 11.41 H new ATOM 0 HZ1 LYS A 29 -3.515 27.080 -16.167 1.00 12.31 H new ATOM 0 HZ2 LYS A 29 -1.946 26.849 -15.560 1.00 12.31 H new ATOM 0 HZ3 LYS A 29 -2.774 25.557 -16.286 1.00 12.31 H new ATOM 419 N PHE A 30 -0.842 23.066 -8.768 1.00 34.33 N ATOM 420 CA PHE A 30 0.124 22.285 -8.004 1.00 31.22 C ATOM 421 C PHE A 30 0.509 21.013 -8.755 1.00 64.21 C ATOM 422 O PHE A 30 -0.352 20.232 -9.158 1.00 53.22 O ATOM 423 CB PHE A 30 -0.449 21.926 -6.631 1.00 62.51 C ATOM 424 CG PHE A 30 -1.780 21.232 -6.700 1.00 63.33 C ATOM 425 CD1 PHE A 30 -1.854 19.848 -6.717 1.00 31.11 C ATOM 426 CD2 PHE A 30 -2.955 21.963 -6.748 1.00 14.32 C ATOM 427 CE1 PHE A 30 -3.076 19.206 -6.779 1.00 64.41 C ATOM 428 CE2 PHE A 30 -4.181 21.326 -6.811 1.00 35.31 C ATOM 429 CZ PHE A 30 -4.241 19.947 -6.827 1.00 3.11 C ATOM 0 H PHE A 30 -1.776 22.659 -8.808 1.00 34.33 H new ATOM 0 HA PHE A 30 1.019 22.892 -7.869 1.00 31.22 H new ATOM 0 HB2 PHE A 30 0.260 21.285 -6.107 1.00 62.51 H new ATOM 0 HB3 PHE A 30 -0.553 22.836 -6.040 1.00 62.51 H new ATOM 0 HD1 PHE A 30 -0.946 19.265 -6.681 1.00 31.11 H new ATOM 0 HD2 PHE A 30 -2.914 23.042 -6.736 1.00 14.32 H new ATOM 0 HE1 PHE A 30 -3.120 18.127 -6.790 1.00 64.41 H new ATOM 0 HE2 PHE A 30 -5.091 21.907 -6.848 1.00 35.31 H new ATOM 0 HZ PHE A 30 -5.197 19.448 -6.877 1.00 3.11 H new ATOM 439 N GLY A 31 1.811 20.815 -8.940 1.00 44.41 N ATOM 440 CA GLY A 31 2.288 19.637 -9.643 1.00 30.41 C ATOM 441 C GLY A 31 2.801 18.567 -8.700 1.00 73.45 C ATOM 442 O GLY A 31 2.534 18.610 -7.500 1.00 14.13 O ATOM 0 H GLY A 31 2.543 21.448 -8.617 1.00 44.41 H new ATOM 0 HA2 GLY A 31 1.479 19.227 -10.248 1.00 30.41 H new ATOM 0 HA3 GLY A 31 3.085 19.925 -10.329 1.00 30.41 H new ATOM 446 N GLU A 32 3.539 17.605 -9.244 1.00 43.01 N ATOM 447 CA GLU A 32 4.089 16.519 -8.442 1.00 3.54 C ATOM 448 C GLU A 32 4.849 17.063 -7.236 1.00 1.32 C ATOM 449 O GLU A 32 4.723 16.549 -6.126 1.00 54.03 O ATOM 450 CB GLU A 32 5.014 15.646 -9.292 1.00 11.31 C ATOM 451 CG GLU A 32 6.143 16.419 -9.953 1.00 30.35 C ATOM 452 CD GLU A 32 6.468 15.902 -11.341 1.00 62.41 C ATOM 453 OE1 GLU A 32 5.630 16.075 -12.250 1.00 30.00 O ATOM 454 OE2 GLU A 32 7.561 15.325 -11.518 1.00 53.21 O ATOM 0 H GLU A 32 3.770 17.556 -10.236 1.00 43.01 H new ATOM 0 HA GLU A 32 3.259 15.912 -8.081 1.00 3.54 H new ATOM 0 HB2 GLU A 32 5.440 14.864 -8.664 1.00 11.31 H new ATOM 0 HB3 GLU A 32 4.424 15.150 -10.063 1.00 11.31 H new ATOM 0 HG2 GLU A 32 5.869 17.472 -10.016 1.00 30.35 H new ATOM 0 HG3 GLU A 32 7.034 16.358 -9.329 1.00 30.35 H new ATOM 461 N GLY A 33 5.640 18.107 -7.465 1.00 32.02 N ATOM 462 CA GLY A 33 6.410 18.703 -6.390 1.00 74.21 C ATOM 463 C GLY A 33 5.531 19.277 -5.296 1.00 22.31 C ATOM 464 O GLY A 33 5.702 18.958 -4.120 1.00 42.22 O ATOM 0 H GLY A 33 5.761 18.550 -8.376 1.00 32.02 H new ATOM 0 HA2 GLY A 33 7.073 17.951 -5.962 1.00 74.21 H new ATOM 0 HA3 GLY A 33 7.043 19.493 -6.795 1.00 74.21 H new ATOM 468 N ASN A 34 4.587 20.129 -5.684 1.00 71.21 N ATOM 469 CA ASN A 34 3.679 20.752 -4.727 1.00 41.01 C ATOM 470 C ASN A 34 2.901 19.696 -3.949 1.00 4.42 C ATOM 471 O ASN A 34 2.763 19.783 -2.729 1.00 25.13 O ATOM 472 CB ASN A 34 2.709 21.689 -5.449 1.00 72.02 C ATOM 473 CG ASN A 34 3.352 23.010 -5.823 1.00 22.14 C ATOM 474 OD1 ASN A 34 4.518 23.058 -6.213 1.00 42.33 O ATOM 475 ND2 ASN A 34 2.591 24.092 -5.706 1.00 32.40 N ATOM 0 H ASN A 34 4.431 20.404 -6.654 1.00 71.21 H new ATOM 0 HA ASN A 34 4.275 21.331 -4.021 1.00 41.01 H new ATOM 0 HB2 ASN A 34 2.339 21.200 -6.350 1.00 72.02 H new ATOM 0 HB3 ASN A 34 1.846 21.876 -4.810 1.00 72.02 H new ATOM 0 HD21 ASN A 34 2.969 25.009 -5.944 1.00 32.40 H new ATOM 0 HD22 ASN A 34 1.629 24.006 -5.378 1.00 32.40 H new ATOM 482 N PHE A 35 2.394 18.696 -4.665 1.00 71.14 N ATOM 483 CA PHE A 35 1.629 17.622 -4.042 1.00 63.01 C ATOM 484 C PHE A 35 2.420 16.976 -2.909 1.00 43.03 C ATOM 485 O PHE A 35 1.886 16.724 -1.829 1.00 10.03 O ATOM 486 CB PHE A 35 1.252 16.566 -5.084 1.00 71.32 C ATOM 487 CG PHE A 35 0.735 15.290 -4.484 1.00 33.12 C ATOM 488 CD1 PHE A 35 1.448 14.110 -4.613 1.00 11.31 C ATOM 489 CD2 PHE A 35 -0.465 15.271 -3.791 1.00 32.51 C ATOM 490 CE1 PHE A 35 0.976 12.934 -4.061 1.00 3.53 C ATOM 491 CE2 PHE A 35 -0.942 14.099 -3.236 1.00 45.45 C ATOM 492 CZ PHE A 35 -0.222 12.928 -3.373 1.00 65.34 C ATOM 0 H PHE A 35 2.499 18.608 -5.676 1.00 71.14 H new ATOM 0 HA PHE A 35 0.719 18.053 -3.625 1.00 63.01 H new ATOM 0 HB2 PHE A 35 0.494 16.978 -5.750 1.00 71.32 H new ATOM 0 HB3 PHE A 35 2.126 16.343 -5.696 1.00 71.32 H new ATOM 0 HD1 PHE A 35 2.384 14.109 -5.151 1.00 11.31 H new ATOM 0 HD2 PHE A 35 -1.034 16.183 -3.684 1.00 32.51 H new ATOM 0 HE1 PHE A 35 1.543 12.021 -4.167 1.00 3.53 H new ATOM 0 HE2 PHE A 35 -1.877 14.098 -2.695 1.00 45.45 H new ATOM 0 HZ PHE A 35 -0.595 12.010 -2.943 1.00 65.34 H new ATOM 502 N ARG A 36 3.697 16.709 -3.165 1.00 31.44 N ATOM 503 CA ARG A 36 4.562 16.090 -2.169 1.00 73.33 C ATOM 504 C ARG A 36 4.646 16.951 -0.911 1.00 22.44 C ATOM 505 O ARG A 36 4.421 16.469 0.198 1.00 13.15 O ATOM 506 CB ARG A 36 5.963 15.872 -2.743 1.00 10.31 C ATOM 507 CG ARG A 36 5.977 15.030 -4.008 1.00 41.35 C ATOM 508 CD ARG A 36 6.417 13.602 -3.723 1.00 72.21 C ATOM 509 NE ARG A 36 6.257 12.736 -4.889 1.00 35.34 N ATOM 510 CZ ARG A 36 7.055 12.778 -5.949 1.00 4.33 C ATOM 511 NH1 ARG A 36 8.063 13.638 -5.991 1.00 43.43 N ATOM 512 NH2 ARG A 36 6.845 11.958 -6.971 1.00 4.15 N ATOM 0 H ARG A 36 4.155 16.912 -4.054 1.00 31.44 H new ATOM 0 HA ARG A 36 4.132 15.125 -1.901 1.00 73.33 H new ATOM 0 HB2 ARG A 36 6.414 16.841 -2.956 1.00 10.31 H new ATOM 0 HB3 ARG A 36 6.585 15.390 -1.989 1.00 10.31 H new ATOM 0 HG2 ARG A 36 4.982 15.023 -4.453 1.00 41.35 H new ATOM 0 HG3 ARG A 36 6.649 15.480 -4.738 1.00 41.35 H new ATOM 0 HD2 ARG A 36 7.461 13.600 -3.411 1.00 72.21 H new ATOM 0 HD3 ARG A 36 5.835 13.202 -2.892 1.00 72.21 H new ATOM 0 HE ARG A 36 5.491 12.063 -4.888 1.00 35.34 H new ATOM 0 HH11 ARG A 36 8.227 14.270 -5.207 1.00 43.43 H new ATOM 0 HH12 ARG A 36 8.674 13.668 -6.807 1.00 43.43 H new ATOM 0 HH21 ARG A 36 6.070 11.295 -6.942 1.00 4.15 H new ATOM 0 HH22 ARG A 36 7.458 11.991 -7.785 1.00 4.15 H new ATOM 526 N TRP A 37 4.971 18.226 -1.094 1.00 75.01 N ATOM 527 CA TRP A 37 5.085 19.154 0.026 1.00 11.24 C ATOM 528 C TRP A 37 3.809 19.158 0.861 1.00 44.01 C ATOM 529 O TRP A 37 3.851 19.360 2.073 1.00 33.20 O ATOM 530 CB TRP A 37 5.381 20.565 -0.483 1.00 23.01 C ATOM 531 CG TRP A 37 5.157 21.628 0.550 1.00 64.25 C ATOM 532 CD1 TRP A 37 6.105 22.221 1.334 1.00 64.13 C ATOM 533 CD2 TRP A 37 3.905 22.222 0.911 1.00 51.03 C ATOM 534 NE1 TRP A 37 5.518 23.148 2.161 1.00 51.13 N ATOM 535 CE2 TRP A 37 4.170 23.167 1.921 1.00 21.52 C ATOM 536 CE3 TRP A 37 2.588 22.047 0.480 1.00 65.13 C ATOM 537 CZ2 TRP A 37 3.163 23.934 2.504 1.00 62.02 C ATOM 538 CZ3 TRP A 37 1.591 22.809 1.059 1.00 53.30 C ATOM 539 CH2 TRP A 37 1.883 23.743 2.062 1.00 4.10 C ATOM 0 H TRP A 37 5.160 18.641 -2.006 1.00 75.01 H new ATOM 0 HA TRP A 37 5.909 18.823 0.658 1.00 11.24 H new ATOM 0 HB2 TRP A 37 6.415 20.611 -0.823 1.00 23.01 H new ATOM 0 HB3 TRP A 37 4.751 20.771 -1.349 1.00 23.01 H new ATOM 0 HD1 TRP A 37 7.161 21.995 1.308 1.00 64.13 H new ATOM 0 HE1 TRP A 37 6.007 23.728 2.843 1.00 51.13 H new ATOM 0 HE3 TRP A 37 2.353 21.329 -0.292 1.00 65.13 H new ATOM 0 HZ2 TRP A 37 3.386 24.654 3.278 1.00 62.02 H new ATOM 0 HZ3 TRP A 37 0.569 22.682 0.733 1.00 53.30 H new ATOM 0 HH2 TRP A 37 1.081 24.323 2.494 1.00 4.10 H new ATOM 550 N ALA A 38 2.676 18.934 0.203 1.00 24.14 N ATOM 551 CA ALA A 38 1.388 18.910 0.887 1.00 64.05 C ATOM 552 C ALA A 38 1.160 17.572 1.579 1.00 12.52 C ATOM 553 O ALA A 38 1.066 17.505 2.806 1.00 25.22 O ATOM 554 CB ALA A 38 0.264 19.196 -0.097 1.00 64.02 C ATOM 0 H ALA A 38 2.624 18.767 -0.802 1.00 24.14 H new ATOM 0 HA ALA A 38 1.394 19.688 1.651 1.00 64.05 H new ATOM 0 HB1 ALA A 38 -0.692 19.175 0.426 1.00 64.02 H new ATOM 0 HB2 ALA A 38 0.412 20.180 -0.543 1.00 64.02 H new ATOM 0 HB3 ALA A 38 0.265 18.439 -0.881 1.00 64.02 H new ATOM 560 N ILE A 39 1.070 16.508 0.788 1.00 54.43 N ATOM 561 CA ILE A 39 0.852 15.171 1.327 1.00 61.24 C ATOM 562 C ILE A 39 1.851 14.856 2.435 1.00 74.21 C ATOM 563 O ILE A 39 1.517 14.189 3.415 1.00 64.25 O ATOM 564 CB ILE A 39 0.965 14.097 0.230 1.00 44.32 C ATOM 565 CG1 ILE A 39 0.593 12.722 0.790 1.00 21.35 C ATOM 566 CG2 ILE A 39 2.372 14.075 -0.349 1.00 42.01 C ATOM 567 CD1 ILE A 39 0.650 11.615 -0.238 1.00 14.35 C ATOM 0 H ILE A 39 1.145 16.546 -0.229 1.00 54.43 H new ATOM 0 HA ILE A 39 -0.158 15.156 1.736 1.00 61.24 H new ATOM 0 HB ILE A 39 0.268 14.344 -0.570 1.00 44.32 H new ATOM 0 HG12 ILE A 39 1.267 12.479 1.611 1.00 21.35 H new ATOM 0 HG13 ILE A 39 -0.413 12.768 1.206 1.00 21.35 H new ATOM 0 HG21 ILE A 39 2.435 13.310 -1.123 1.00 42.01 H new ATOM 0 HG22 ILE A 39 2.603 15.049 -0.781 1.00 42.01 H new ATOM 0 HG23 ILE A 39 3.087 13.850 0.442 1.00 42.01 H new ATOM 0 HD11 ILE A 39 0.374 10.670 0.230 1.00 14.35 H new ATOM 0 HD12 ILE A 39 -0.045 11.835 -1.049 1.00 14.35 H new ATOM 0 HD13 ILE A 39 1.662 11.541 -0.637 1.00 14.35 H new ATOM 579 N ARG A 40 3.078 15.340 2.274 1.00 63.41 N ATOM 580 CA ARG A 40 4.127 15.112 3.261 1.00 15.31 C ATOM 581 C ARG A 40 3.878 15.937 4.520 1.00 32.35 C ATOM 582 O ARG A 40 3.863 15.405 5.629 1.00 14.45 O ATOM 583 CB ARG A 40 5.496 15.459 2.673 1.00 33.12 C ATOM 584 CG ARG A 40 6.649 15.221 3.633 1.00 33.13 C ATOM 585 CD ARG A 40 7.922 14.843 2.893 1.00 4.22 C ATOM 586 NE ARG A 40 7.818 13.532 2.257 1.00 31.44 N ATOM 587 CZ ARG A 40 8.808 12.964 1.578 1.00 11.45 C ATOM 588 NH1 ARG A 40 9.970 13.588 1.447 1.00 34.01 N ATOM 589 NH2 ARG A 40 8.636 11.768 1.029 1.00 64.23 N ATOM 0 H ARG A 40 3.371 15.893 1.469 1.00 63.41 H new ATOM 0 HA ARG A 40 4.113 14.056 3.531 1.00 15.31 H new ATOM 0 HB2 ARG A 40 5.656 14.866 1.772 1.00 33.12 H new ATOM 0 HB3 ARG A 40 5.497 16.506 2.370 1.00 33.12 H new ATOM 0 HG2 ARG A 40 6.824 16.120 4.223 1.00 33.13 H new ATOM 0 HG3 ARG A 40 6.384 14.428 4.332 1.00 33.13 H new ATOM 0 HD2 ARG A 40 8.138 15.597 2.136 1.00 4.22 H new ATOM 0 HD3 ARG A 40 8.760 14.842 3.590 1.00 4.22 H new ATOM 0 HE ARG A 40 6.937 13.025 2.339 1.00 31.44 H new ATOM 0 HH11 ARG A 40 10.106 14.507 1.868 1.00 34.01 H new ATOM 0 HH12 ARG A 40 10.728 13.149 0.925 1.00 34.01 H new ATOM 0 HH21 ARG A 40 7.743 11.285 1.128 1.00 64.23 H new ATOM 0 HH22 ARG A 40 9.397 11.332 0.508 1.00 64.23 H new ATOM 603 N MET A 41 3.683 17.239 4.339 1.00 72.43 N ATOM 604 CA MET A 41 3.434 18.138 5.460 1.00 54.44 C ATOM 605 C MET A 41 2.275 17.633 6.314 1.00 40.10 C ATOM 606 O MET A 41 2.293 17.758 7.538 1.00 70.14 O ATOM 607 CB MET A 41 3.133 19.549 4.953 1.00 53.13 C ATOM 608 CG MET A 41 2.970 20.572 6.066 1.00 24.13 C ATOM 609 SD MET A 41 1.497 21.592 5.860 1.00 22.42 S ATOM 610 CE MET A 41 1.482 22.483 7.413 1.00 14.32 C ATOM 0 H MET A 41 3.693 17.695 3.427 1.00 72.43 H new ATOM 0 HA MET A 41 4.332 18.166 6.077 1.00 54.44 H new ATOM 0 HB2 MET A 41 3.939 19.868 4.292 1.00 53.13 H new ATOM 0 HB3 MET A 41 2.221 19.525 4.356 1.00 53.13 H new ATOM 0 HG2 MET A 41 2.919 20.056 7.025 1.00 24.13 H new ATOM 0 HG3 MET A 41 3.851 21.214 6.096 1.00 24.13 H new ATOM 0 HE1 MET A 41 0.859 23.372 7.316 1.00 14.32 H new ATOM 0 HE2 MET A 41 1.080 21.841 8.197 1.00 14.32 H new ATOM 0 HE3 MET A 41 2.498 22.779 7.673 1.00 14.32 H new ATOM 620 N ALA A 42 1.269 17.063 5.660 1.00 3.11 N ATOM 621 CA ALA A 42 0.103 16.538 6.360 1.00 1.05 C ATOM 622 C ALA A 42 0.445 15.258 7.114 1.00 4.42 C ATOM 623 O ALA A 42 -0.006 15.050 8.240 1.00 44.51 O ATOM 624 CB ALA A 42 -1.033 16.289 5.378 1.00 33.25 C ATOM 0 H ALA A 42 1.238 16.953 4.646 1.00 3.11 H new ATOM 0 HA ALA A 42 -0.218 17.282 7.089 1.00 1.05 H new ATOM 0 HB1 ALA A 42 -1.898 15.897 5.914 1.00 33.25 H new ATOM 0 HB2 ALA A 42 -1.303 17.225 4.889 1.00 33.25 H new ATOM 0 HB3 ALA A 42 -0.713 15.566 4.627 1.00 33.25 H new ATOM 630 N ASN A 43 1.243 14.402 6.484 1.00 40.00 N ATOM 631 CA ASN A 43 1.644 13.139 7.095 1.00 73.43 C ATOM 632 C ASN A 43 2.408 13.383 8.394 1.00 5.10 C ATOM 633 O ASN A 43 2.062 12.837 9.442 1.00 24.44 O ATOM 634 CB ASN A 43 2.509 12.332 6.126 1.00 3.54 C ATOM 635 CG ASN A 43 1.896 10.985 5.789 1.00 74.31 C ATOM 636 OD1 ASN A 43 0.678 10.813 5.848 1.00 73.30 O ATOM 637 ND2 ASN A 43 2.740 10.024 5.434 1.00 10.12 N ATOM 0 H ASN A 43 1.625 14.559 5.551 1.00 40.00 H new ATOM 0 HA ASN A 43 0.742 12.572 7.325 1.00 73.43 H new ATOM 0 HB2 ASN A 43 2.652 12.903 5.209 1.00 3.54 H new ATOM 0 HB3 ASN A 43 3.496 12.180 6.564 1.00 3.54 H new ATOM 0 HD21 ASN A 43 2.387 9.097 5.196 1.00 10.12 H new ATOM 0 HD22 ASN A 43 3.742 10.212 5.399 1.00 10.12 H new ATOM 644 N VAL A 44 3.449 14.206 8.316 1.00 33.55 N ATOM 645 CA VAL A 44 4.261 14.523 9.485 1.00 70.11 C ATOM 646 C VAL A 44 3.433 15.227 10.554 1.00 73.41 C ATOM 647 O VAL A 44 3.569 14.944 11.744 1.00 55.22 O ATOM 648 CB VAL A 44 5.459 15.415 9.109 1.00 75.03 C ATOM 649 CG1 VAL A 44 6.352 15.646 10.320 1.00 41.02 C ATOM 650 CG2 VAL A 44 6.248 14.794 7.966 1.00 51.30 C ATOM 0 H VAL A 44 3.750 14.665 7.456 1.00 33.55 H new ATOM 0 HA VAL A 44 4.631 13.577 9.881 1.00 70.11 H new ATOM 0 HB VAL A 44 5.080 16.381 8.776 1.00 75.03 H new ATOM 0 HG11 VAL A 44 7.193 16.278 10.036 1.00 41.02 H new ATOM 0 HG12 VAL A 44 5.779 16.136 11.107 1.00 41.02 H new ATOM 0 HG13 VAL A 44 6.724 14.689 10.685 1.00 41.02 H new ATOM 0 HG21 VAL A 44 7.091 15.438 7.714 1.00 51.30 H new ATOM 0 HG22 VAL A 44 6.618 13.814 8.269 1.00 51.30 H new ATOM 0 HG23 VAL A 44 5.602 14.684 7.095 1.00 51.30 H new ATOM 660 N SER A 45 2.576 16.146 10.123 1.00 3.45 N ATOM 661 CA SER A 45 1.727 16.893 11.043 1.00 13.23 C ATOM 662 C SER A 45 0.857 15.949 11.868 1.00 2.33 C ATOM 663 O SER A 45 0.396 16.299 12.954 1.00 0.13 O ATOM 664 CB SER A 45 0.845 17.877 10.273 1.00 35.21 C ATOM 665 OG SER A 45 1.610 18.953 9.759 1.00 53.32 O ATOM 0 H SER A 45 2.451 16.392 9.141 1.00 3.45 H new ATOM 0 HA SER A 45 2.372 17.450 11.722 1.00 13.23 H new ATOM 0 HB2 SER A 45 0.345 17.359 9.455 1.00 35.21 H new ATOM 0 HB3 SER A 45 0.065 18.262 10.930 1.00 35.21 H new ATOM 0 HG SER A 45 1.751 18.824 8.798 1.00 53.32 H new ATOM 671 N THR A 46 0.635 14.748 11.342 1.00 22.22 N ATOM 672 CA THR A 46 -0.181 13.753 12.026 1.00 3.42 C ATOM 673 C THR A 46 0.684 12.650 12.625 1.00 34.02 C ATOM 674 O THR A 46 0.231 11.887 13.478 1.00 43.23 O ATOM 675 CB THR A 46 -1.212 13.120 11.072 1.00 40.11 C ATOM 676 OG1 THR A 46 -0.587 12.784 9.828 1.00 13.44 O ATOM 677 CG2 THR A 46 -2.373 14.071 10.821 1.00 13.50 C ATOM 0 H THR A 46 1.009 14.441 10.444 1.00 22.22 H new ATOM 0 HA THR A 46 -0.708 14.273 12.826 1.00 3.42 H new ATOM 0 HB THR A 46 -1.599 12.215 11.540 1.00 40.11 H new ATOM 0 HG1 THR A 46 0.369 12.624 9.975 1.00 13.44 H new ATOM 0 HG21 THR A 46 -3.088 13.602 10.145 1.00 13.50 H new ATOM 0 HG22 THR A 46 -2.865 14.302 11.766 1.00 13.50 H new ATOM 0 HG23 THR A 46 -1.999 14.991 10.372 1.00 13.50 H new ATOM 685 N GLY A 47 1.932 12.572 12.173 1.00 31.41 N ATOM 686 CA GLY A 47 2.841 11.560 12.677 1.00 55.42 C ATOM 687 C GLY A 47 2.458 10.162 12.232 1.00 1.04 C ATOM 688 O GLY A 47 2.446 9.229 13.034 1.00 1.40 O ATOM 0 H GLY A 47 2.329 13.192 11.467 1.00 31.41 H new ATOM 0 HA2 GLY A 47 3.852 11.782 12.336 1.00 55.42 H new ATOM 0 HA3 GLY A 47 2.856 11.600 13.766 1.00 55.42 H new ATOM 692 N ARG A 48 2.140 10.019 10.949 1.00 51.41 N ATOM 693 CA ARG A 48 1.751 8.725 10.399 1.00 20.22 C ATOM 694 C ARG A 48 2.958 7.997 9.816 1.00 1.20 C ATOM 695 O ARG A 48 2.874 7.397 8.745 1.00 61.25 O ATOM 696 CB ARG A 48 0.681 8.907 9.321 1.00 62.32 C ATOM 697 CG ARG A 48 -0.134 7.653 9.053 1.00 72.12 C ATOM 698 CD ARG A 48 -1.470 7.984 8.406 1.00 41.21 C ATOM 699 NE ARG A 48 -2.436 8.494 9.375 1.00 31.04 N ATOM 700 CZ ARG A 48 -3.069 7.726 10.255 1.00 20.53 C ATOM 701 NH1 ARG A 48 -2.840 6.421 10.288 1.00 71.04 N ATOM 702 NH2 ARG A 48 -3.935 8.265 11.105 1.00 20.15 N ATOM 0 H ARG A 48 2.144 10.782 10.272 1.00 51.41 H new ATOM 0 HA ARG A 48 1.342 8.122 11.209 1.00 20.22 H new ATOM 0 HB2 ARG A 48 0.008 9.710 9.621 1.00 62.32 H new ATOM 0 HB3 ARG A 48 1.161 9.223 8.395 1.00 62.32 H new ATOM 0 HG2 ARG A 48 0.430 6.983 8.404 1.00 72.12 H new ATOM 0 HG3 ARG A 48 -0.304 7.121 9.989 1.00 72.12 H new ATOM 0 HD2 ARG A 48 -1.319 8.725 7.621 1.00 41.21 H new ATOM 0 HD3 ARG A 48 -1.873 7.091 7.928 1.00 41.21 H new ATOM 0 HE ARG A 48 -2.636 9.494 9.376 1.00 31.04 H new ATOM 0 HH11 ARG A 48 -2.176 6.003 9.636 1.00 71.04 H new ATOM 0 HH12 ARG A 48 -3.328 5.835 10.965 1.00 71.04 H new ATOM 0 HH21 ARG A 48 -4.114 9.269 11.082 1.00 20.15 H new ATOM 0 HH22 ARG A 48 -4.421 7.675 11.781 1.00 20.15 H new ATOM 716 N GLU A 49 4.079 8.056 10.528 1.00 1.51 N ATOM 717 CA GLU A 49 5.303 7.402 10.079 1.00 22.22 C ATOM 718 C GLU A 49 5.785 7.998 8.760 1.00 72.03 C ATOM 719 O GLU A 49 5.025 8.618 8.015 1.00 53.45 O ATOM 720 CB GLU A 49 5.075 5.897 9.919 1.00 21.23 C ATOM 721 CG GLU A 49 5.726 5.063 11.010 1.00 24.34 C ATOM 722 CD GLU A 49 4.851 3.911 11.463 1.00 4.21 C ATOM 723 OE1 GLU A 49 4.033 3.432 10.649 1.00 1.10 O ATOM 724 OE2 GLU A 49 4.982 3.488 12.630 1.00 34.54 O ATOM 0 H GLU A 49 4.165 8.549 11.417 1.00 1.51 H new ATOM 0 HA GLU A 49 6.071 7.567 10.835 1.00 22.22 H new ATOM 0 HB2 GLU A 49 4.003 5.699 9.913 1.00 21.23 H new ATOM 0 HB3 GLU A 49 5.463 5.580 8.951 1.00 21.23 H new ATOM 0 HG2 GLU A 49 6.676 4.672 10.645 1.00 24.34 H new ATOM 0 HG3 GLU A 49 5.951 5.701 11.864 1.00 24.34 H new ATOM 731 N PRO A 50 7.079 7.807 8.463 1.00 74.33 N ATOM 732 CA PRO A 50 7.693 8.318 7.234 1.00 51.43 C ATOM 733 C PRO A 50 7.200 7.584 5.992 1.00 25.43 C ATOM 734 O PRO A 50 6.804 8.207 5.008 1.00 2.23 O ATOM 735 CB PRO A 50 9.187 8.060 7.450 1.00 42.43 C ATOM 736 CG PRO A 50 9.240 6.921 8.408 1.00 54.42 C ATOM 737 CD PRO A 50 8.043 7.078 9.306 1.00 63.44 C ATOM 0 HA PRO A 50 7.448 9.366 7.061 1.00 51.43 H new ATOM 0 HB2 PRO A 50 9.686 7.813 6.513 1.00 42.43 H new ATOM 0 HB3 PRO A 50 9.686 8.941 7.854 1.00 42.43 H new ATOM 0 HG2 PRO A 50 9.210 5.967 7.882 1.00 54.42 H new ATOM 0 HG3 PRO A 50 10.165 6.939 8.984 1.00 54.42 H new ATOM 0 HD2 PRO A 50 7.649 6.113 9.624 1.00 63.44 H new ATOM 0 HD3 PRO A 50 8.289 7.635 10.210 1.00 63.44 H new ATOM 745 N GLY A 51 7.226 6.256 6.044 1.00 54.41 N ATOM 746 CA GLY A 51 6.779 5.460 4.917 1.00 51.20 C ATOM 747 C GLY A 51 5.282 5.222 4.934 1.00 0.10 C ATOM 748 O GLY A 51 4.826 4.109 5.202 1.00 71.34 O ATOM 0 H GLY A 51 7.549 5.717 6.848 1.00 54.41 H new ATOM 0 HA2 GLY A 51 7.054 5.962 3.989 1.00 51.20 H new ATOM 0 HA3 GLY A 51 7.297 4.501 4.925 1.00 51.20 H new ATOM 752 N ASP A 52 4.515 6.268 4.648 1.00 41.01 N ATOM 753 CA ASP A 52 3.060 6.167 4.632 1.00 22.23 C ATOM 754 C ASP A 52 2.476 6.932 3.447 1.00 33.03 C ATOM 755 O ASP A 52 2.122 8.106 3.567 1.00 55.44 O ATOM 756 CB ASP A 52 2.476 6.705 5.939 1.00 13.55 C ATOM 757 CG ASP A 52 1.924 5.602 6.822 1.00 35.44 C ATOM 758 OD1 ASP A 52 2.702 5.033 7.616 1.00 32.02 O ATOM 759 OD2 ASP A 52 0.714 5.310 6.720 1.00 64.11 O ATOM 0 H ASP A 52 4.876 7.195 4.424 1.00 41.01 H new ATOM 0 HA ASP A 52 2.794 5.115 4.530 1.00 22.23 H new ATOM 0 HB2 ASP A 52 3.248 7.249 6.482 1.00 13.55 H new ATOM 0 HB3 ASP A 52 1.683 7.418 5.713 1.00 13.55 H new ATOM 764 N ILE A 53 2.379 6.259 2.306 1.00 23.11 N ATOM 765 CA ILE A 53 1.837 6.875 1.101 1.00 64.45 C ATOM 766 C ILE A 53 0.572 6.161 0.638 1.00 12.40 C ATOM 767 O ILE A 53 0.543 5.511 -0.407 1.00 54.22 O ATOM 768 CB ILE A 53 2.866 6.868 -0.046 1.00 51.52 C ATOM 769 CG1 ILE A 53 4.214 7.400 0.446 1.00 4.33 C ATOM 770 CG2 ILE A 53 2.359 7.694 -1.218 1.00 63.12 C ATOM 771 CD1 ILE A 53 4.150 8.820 0.963 1.00 31.43 C ATOM 0 H ILE A 53 2.668 5.288 2.190 1.00 23.11 H new ATOM 0 HA ILE A 53 1.595 7.907 1.356 1.00 64.45 H new ATOM 0 HB ILE A 53 3.004 5.841 -0.385 1.00 51.52 H new ATOM 0 HG12 ILE A 53 4.585 6.750 1.238 1.00 4.33 H new ATOM 0 HG13 ILE A 53 4.935 7.351 -0.370 1.00 4.33 H new ATOM 0 HG21 ILE A 53 3.097 7.679 -2.020 1.00 63.12 H new ATOM 0 HG22 ILE A 53 1.421 7.274 -1.580 1.00 63.12 H new ATOM 0 HG23 ILE A 53 2.195 8.722 -0.895 1.00 63.12 H new ATOM 0 HD11 ILE A 53 5.140 9.131 1.295 1.00 31.43 H new ATOM 0 HD12 ILE A 53 3.809 9.482 0.167 1.00 31.43 H new ATOM 0 HD13 ILE A 53 3.454 8.871 1.800 1.00 31.43 H new ATOM 783 N PRO A 54 -0.501 6.283 1.434 1.00 70.12 N ATOM 784 CA PRO A 54 -1.791 5.658 1.126 1.00 41.14 C ATOM 785 C PRO A 54 -2.479 6.308 -0.070 1.00 31.44 C ATOM 786 O PRO A 54 -1.904 7.166 -0.737 1.00 72.43 O ATOM 787 CB PRO A 54 -2.607 5.882 2.401 1.00 73.03 C ATOM 788 CG PRO A 54 -2.003 7.090 3.030 1.00 44.52 C ATOM 789 CD PRO A 54 -0.539 7.043 2.695 1.00 54.55 C ATOM 0 HA PRO A 54 -1.681 4.608 0.854 1.00 41.14 H new ATOM 0 HB2 PRO A 54 -3.661 6.039 2.174 1.00 73.03 H new ATOM 0 HB3 PRO A 54 -2.549 5.019 3.065 1.00 73.03 H new ATOM 0 HG2 PRO A 54 -2.462 8.001 2.646 1.00 44.52 H new ATOM 0 HG3 PRO A 54 -2.157 7.086 4.109 1.00 44.52 H new ATOM 0 HD2 PRO A 54 -0.122 8.043 2.574 1.00 54.55 H new ATOM 0 HD3 PRO A 54 0.037 6.550 3.478 1.00 54.55 H new ATOM 797 N GLU A 55 -3.715 5.894 -0.332 1.00 74.35 N ATOM 798 CA GLU A 55 -4.481 6.437 -1.447 1.00 44.21 C ATOM 799 C GLU A 55 -5.899 5.874 -1.458 1.00 64.31 C ATOM 800 O GLU A 55 -6.262 5.091 -2.337 1.00 23.12 O ATOM 801 CB GLU A 55 -3.785 6.123 -2.774 1.00 22.12 C ATOM 802 CG GLU A 55 -4.104 7.118 -3.878 1.00 52.35 C ATOM 803 CD GLU A 55 -2.935 7.341 -4.817 1.00 41.53 C ATOM 804 OE1 GLU A 55 -3.003 8.282 -5.635 1.00 71.22 O ATOM 805 OE2 GLU A 55 -1.952 6.575 -4.735 1.00 15.15 O ATOM 0 H GLU A 55 -4.206 5.185 0.212 1.00 74.35 H new ATOM 0 HA GLU A 55 -4.539 7.518 -1.322 1.00 44.21 H new ATOM 0 HB2 GLU A 55 -2.707 6.104 -2.614 1.00 22.12 H new ATOM 0 HB3 GLU A 55 -4.077 5.125 -3.100 1.00 22.12 H new ATOM 0 HG2 GLU A 55 -4.961 6.760 -4.449 1.00 52.35 H new ATOM 0 HG3 GLU A 55 -4.394 8.069 -3.432 1.00 52.35 H new ATOM 812 N THR A 56 -6.698 6.278 -0.475 1.00 40.41 N ATOM 813 CA THR A 56 -8.075 5.813 -0.370 1.00 13.41 C ATOM 814 C THR A 56 -8.962 6.867 0.281 1.00 34.54 C ATOM 815 O THR A 56 -8.544 7.556 1.213 1.00 20.21 O ATOM 816 CB THR A 56 -8.167 4.508 0.444 1.00 62.14 C ATOM 817 OG1 THR A 56 -7.763 4.744 1.796 1.00 14.04 O ATOM 818 CG2 THR A 56 -7.292 3.425 -0.170 1.00 2.03 C ATOM 0 H THR A 56 -6.415 6.926 0.260 1.00 40.41 H new ATOM 0 HA THR A 56 -8.423 5.625 -1.385 1.00 13.41 H new ATOM 0 HB THR A 56 -9.203 4.169 0.429 1.00 62.14 H new ATOM 0 HG1 THR A 56 -7.826 3.910 2.307 1.00 14.04 H new ATOM 0 HG21 THR A 56 -7.373 2.513 0.421 1.00 2.03 H new ATOM 0 HG22 THR A 56 -7.621 3.226 -1.190 1.00 2.03 H new ATOM 0 HG23 THR A 56 -6.254 3.759 -0.182 1.00 2.03 H new ATOM 826 N LEU A 57 -10.189 6.989 -0.214 1.00 34.23 N ATOM 827 CA LEU A 57 -11.137 7.961 0.321 1.00 13.34 C ATOM 828 C LEU A 57 -11.258 7.827 1.836 1.00 31.10 C ATOM 829 O LEU A 57 -11.436 8.818 2.544 1.00 52.20 O ATOM 830 CB LEU A 57 -12.509 7.775 -0.329 1.00 4.55 C ATOM 831 CG LEU A 57 -13.196 9.049 -0.823 1.00 12.42 C ATOM 832 CD1 LEU A 57 -13.520 9.968 0.345 1.00 50.42 C ATOM 833 CD2 LEU A 57 -12.322 9.766 -1.841 1.00 0.32 C ATOM 0 H LEU A 57 -10.551 6.427 -0.985 1.00 34.23 H new ATOM 0 HA LEU A 57 -10.764 8.959 0.091 1.00 13.34 H new ATOM 0 HB2 LEU A 57 -12.400 7.094 -1.173 1.00 4.55 H new ATOM 0 HB3 LEU A 57 -13.167 7.287 0.391 1.00 4.55 H new ATOM 0 HG LEU A 57 -14.131 8.769 -1.309 1.00 12.42 H new ATOM 0 HD11 LEU A 57 -14.008 10.869 -0.026 1.00 50.42 H new ATOM 0 HD12 LEU A 57 -14.185 9.454 1.039 1.00 50.42 H new ATOM 0 HD13 LEU A 57 -12.599 10.240 0.860 1.00 50.42 H new ATOM 0 HD21 LEU A 57 -12.827 10.670 -2.181 1.00 0.32 H new ATOM 0 HD22 LEU A 57 -11.371 10.033 -1.380 1.00 0.32 H new ATOM 0 HD23 LEU A 57 -12.141 9.109 -2.692 1.00 0.32 H new ATOM 845 N ASP A 58 -11.157 6.596 2.325 1.00 74.41 N ATOM 846 CA ASP A 58 -11.251 6.333 3.757 1.00 24.23 C ATOM 847 C ASP A 58 -10.063 6.934 4.500 1.00 64.34 C ATOM 848 O ASP A 58 -10.232 7.640 5.493 1.00 65.10 O ATOM 849 CB ASP A 58 -11.323 4.828 4.017 1.00 55.44 C ATOM 850 CG ASP A 58 -12.435 4.458 4.977 1.00 54.22 C ATOM 851 OD1 ASP A 58 -13.616 4.565 4.587 1.00 14.32 O ATOM 852 OD2 ASP A 58 -12.124 4.059 6.120 1.00 23.44 O ATOM 0 H ASP A 58 -11.010 5.765 1.752 1.00 74.41 H new ATOM 0 HA ASP A 58 -12.162 6.802 4.128 1.00 24.23 H new ATOM 0 HB2 ASP A 58 -11.474 4.306 3.072 1.00 55.44 H new ATOM 0 HB3 ASP A 58 -10.370 4.486 4.421 1.00 55.44 H new ATOM 857 N GLN A 59 -8.860 6.648 4.011 1.00 2.31 N ATOM 858 CA GLN A 59 -7.643 7.160 4.630 1.00 24.11 C ATOM 859 C GLN A 59 -7.600 8.683 4.571 1.00 25.32 C ATOM 860 O GLN A 59 -7.376 9.349 5.583 1.00 5.31 O ATOM 861 CB GLN A 59 -6.409 6.576 3.939 1.00 11.23 C ATOM 862 CG GLN A 59 -5.112 7.269 4.322 1.00 24.13 C ATOM 863 CD GLN A 59 -4.803 8.460 3.436 1.00 24.45 C ATOM 864 OE1 GLN A 59 -4.539 9.560 3.923 1.00 52.41 O ATOM 865 NE2 GLN A 59 -4.835 8.247 2.125 1.00 73.34 N ATOM 0 H GLN A 59 -8.702 6.065 3.189 1.00 2.31 H new ATOM 0 HA GLN A 59 -7.643 6.856 5.677 1.00 24.11 H new ATOM 0 HB2 GLN A 59 -6.332 5.517 4.186 1.00 11.23 H new ATOM 0 HB3 GLN A 59 -6.542 6.643 2.859 1.00 11.23 H new ATOM 0 HG2 GLN A 59 -5.173 7.599 5.359 1.00 24.13 H new ATOM 0 HG3 GLN A 59 -4.291 6.554 4.263 1.00 24.13 H new ATOM 0 HE21 GLN A 59 -5.058 7.319 1.764 1.00 73.34 H new ATOM 0 HE22 GLN A 59 -4.636 9.011 1.479 1.00 73.34 H new ATOM 874 N LEU A 60 -7.817 9.229 3.379 1.00 64.43 N ATOM 875 CA LEU A 60 -7.802 10.676 3.187 1.00 2.04 C ATOM 876 C LEU A 60 -8.730 11.366 4.181 1.00 13.34 C ATOM 877 O LEU A 60 -8.390 12.406 4.745 1.00 41.14 O ATOM 878 CB LEU A 60 -8.219 11.023 1.757 1.00 20.25 C ATOM 879 CG LEU A 60 -7.538 12.244 1.137 1.00 23.42 C ATOM 880 CD1 LEU A 60 -7.643 13.443 2.067 1.00 63.32 C ATOM 881 CD2 LEU A 60 -6.081 11.938 0.821 1.00 3.53 C ATOM 0 H LEU A 60 -8.005 8.693 2.532 1.00 64.43 H new ATOM 0 HA LEU A 60 -6.786 11.031 3.360 1.00 2.04 H new ATOM 0 HB2 LEU A 60 -8.020 10.160 1.122 1.00 20.25 H new ATOM 0 HB3 LEU A 60 -9.297 11.187 1.744 1.00 20.25 H new ATOM 0 HG LEU A 60 -8.048 12.487 0.205 1.00 23.42 H new ATOM 0 HD11 LEU A 60 -7.153 14.302 1.609 1.00 63.32 H new ATOM 0 HD12 LEU A 60 -8.693 13.676 2.244 1.00 63.32 H new ATOM 0 HD13 LEU A 60 -7.158 13.211 3.015 1.00 63.32 H new ATOM 0 HD21 LEU A 60 -5.612 12.818 0.380 1.00 3.53 H new ATOM 0 HD22 LEU A 60 -5.558 11.669 1.739 1.00 3.53 H new ATOM 0 HD23 LEU A 60 -6.028 11.108 0.117 1.00 3.53 H new ATOM 893 N ARG A 61 -9.904 10.778 4.394 1.00 61.54 N ATOM 894 CA ARG A 61 -10.880 11.337 5.322 1.00 73.02 C ATOM 895 C ARG A 61 -10.348 11.311 6.752 1.00 70.22 C ATOM 896 O ARG A 61 -10.543 12.258 7.515 1.00 70.52 O ATOM 897 CB ARG A 61 -12.194 10.559 5.241 1.00 0.21 C ATOM 898 CG ARG A 61 -13.194 10.937 6.322 1.00 51.15 C ATOM 899 CD ARG A 61 -13.064 10.037 7.541 1.00 61.43 C ATOM 900 NE ARG A 61 -14.170 9.089 7.641 1.00 54.11 N ATOM 901 CZ ARG A 61 -14.451 8.400 8.742 1.00 70.15 C ATOM 902 NH1 ARG A 61 -13.709 8.555 9.831 1.00 24.00 N ATOM 903 NH2 ARG A 61 -15.473 7.556 8.756 1.00 12.32 N ATOM 0 H ARG A 61 -10.201 9.916 3.937 1.00 61.54 H new ATOM 0 HA ARG A 61 -11.061 12.374 5.039 1.00 73.02 H new ATOM 0 HB2 ARG A 61 -12.647 10.728 4.264 1.00 0.21 H new ATOM 0 HB3 ARG A 61 -11.980 9.493 5.313 1.00 0.21 H new ATOM 0 HG2 ARG A 61 -13.038 11.975 6.616 1.00 51.15 H new ATOM 0 HG3 ARG A 61 -14.206 10.867 5.923 1.00 51.15 H new ATOM 0 HD2 ARG A 61 -12.122 9.491 7.490 1.00 61.43 H new ATOM 0 HD3 ARG A 61 -13.029 10.650 8.442 1.00 61.43 H new ATOM 0 HE ARG A 61 -14.759 8.948 6.821 1.00 54.11 H new ATOM 0 HH11 ARG A 61 -12.922 9.204 9.824 1.00 24.00 H new ATOM 0 HH12 ARG A 61 -13.926 8.026 10.675 1.00 24.00 H new ATOM 0 HH21 ARG A 61 -16.045 7.434 7.921 1.00 12.32 H new ATOM 0 HH22 ARG A 61 -15.687 7.028 9.602 1.00 12.32 H new ATOM 917 N LEU A 62 -9.677 10.222 7.108 1.00 14.23 N ATOM 918 CA LEU A 62 -9.117 10.071 8.447 1.00 72.43 C ATOM 919 C LEU A 62 -8.038 11.118 8.706 1.00 32.11 C ATOM 920 O LEU A 62 -7.977 11.708 9.786 1.00 42.22 O ATOM 921 CB LEU A 62 -8.534 8.668 8.623 1.00 23.44 C ATOM 922 CG LEU A 62 -7.786 8.411 9.932 1.00 22.20 C ATOM 923 CD1 LEU A 62 -8.696 8.662 11.125 1.00 65.25 C ATOM 924 CD2 LEU A 62 -7.241 6.991 9.964 1.00 33.51 C ATOM 0 H LEU A 62 -9.507 9.430 6.488 1.00 14.23 H new ATOM 0 HA LEU A 62 -9.921 10.216 9.169 1.00 72.43 H new ATOM 0 HB2 LEU A 62 -9.347 7.946 8.545 1.00 23.44 H new ATOM 0 HB3 LEU A 62 -7.853 8.473 7.794 1.00 23.44 H new ATOM 0 HG LEU A 62 -6.946 9.103 9.990 1.00 22.20 H new ATOM 0 HD11 LEU A 62 -8.147 8.474 12.048 1.00 65.25 H new ATOM 0 HD12 LEU A 62 -9.038 9.697 11.111 1.00 65.25 H new ATOM 0 HD13 LEU A 62 -9.557 7.995 11.073 1.00 65.25 H new ATOM 0 HD21 LEU A 62 -6.712 6.825 10.902 1.00 33.51 H new ATOM 0 HD22 LEU A 62 -8.066 6.283 9.883 1.00 33.51 H new ATOM 0 HD23 LEU A 62 -6.555 6.846 9.130 1.00 33.51 H new ATOM 936 N VAL A 63 -7.190 11.346 7.709 1.00 23.33 N ATOM 937 CA VAL A 63 -6.116 12.325 7.827 1.00 11.31 C ATOM 938 C VAL A 63 -6.671 13.741 7.930 1.00 51.31 C ATOM 939 O VAL A 63 -6.419 14.448 8.907 1.00 3.22 O ATOM 940 CB VAL A 63 -5.152 12.249 6.628 1.00 60.31 C ATOM 941 CG1 VAL A 63 -4.061 13.301 6.752 1.00 22.42 C ATOM 942 CG2 VAL A 63 -4.551 10.856 6.516 1.00 2.54 C ATOM 0 H VAL A 63 -7.226 10.866 6.810 1.00 23.33 H new ATOM 0 HA VAL A 63 -5.569 12.085 8.739 1.00 11.31 H new ATOM 0 HB VAL A 63 -5.716 12.451 5.717 1.00 60.31 H new ATOM 0 HG11 VAL A 63 -3.390 13.232 5.896 1.00 22.42 H new ATOM 0 HG12 VAL A 63 -4.513 14.292 6.779 1.00 22.42 H new ATOM 0 HG13 VAL A 63 -3.497 13.134 7.670 1.00 22.42 H new ATOM 0 HG21 VAL A 63 -3.872 10.820 5.664 1.00 2.54 H new ATOM 0 HG22 VAL A 63 -4.001 10.623 7.428 1.00 2.54 H new ATOM 0 HG23 VAL A 63 -5.348 10.126 6.376 1.00 2.54 H new ATOM 952 N ILE A 64 -7.427 14.149 6.917 1.00 12.34 N ATOM 953 CA ILE A 64 -8.020 15.480 6.894 1.00 32.53 C ATOM 954 C ILE A 64 -8.794 15.760 8.178 1.00 74.33 C ATOM 955 O ILE A 64 -8.887 16.904 8.623 1.00 63.45 O ATOM 956 CB ILE A 64 -8.964 15.657 5.690 1.00 52.42 C ATOM 957 CG1 ILE A 64 -9.380 17.122 5.551 1.00 2.23 C ATOM 958 CG2 ILE A 64 -10.188 14.764 5.842 1.00 75.45 C ATOM 959 CD1 ILE A 64 -10.137 17.416 4.275 1.00 21.10 C ATOM 0 H ILE A 64 -7.643 13.577 6.101 1.00 12.34 H new ATOM 0 HA ILE A 64 -7.197 16.189 6.806 1.00 32.53 H new ATOM 0 HB ILE A 64 -8.434 15.363 4.784 1.00 52.42 H new ATOM 0 HG12 ILE A 64 -10.000 17.398 6.404 1.00 2.23 H new ATOM 0 HG13 ILE A 64 -8.489 17.749 5.589 1.00 2.23 H new ATOM 0 HG21 ILE A 64 -10.846 14.900 4.984 1.00 75.45 H new ATOM 0 HG22 ILE A 64 -9.873 13.722 5.897 1.00 75.45 H new ATOM 0 HG23 ILE A 64 -10.722 15.030 6.754 1.00 75.45 H new ATOM 0 HD11 ILE A 64 -10.400 18.473 4.243 1.00 21.10 H new ATOM 0 HD12 ILE A 64 -9.511 17.172 3.416 1.00 21.10 H new ATOM 0 HD13 ILE A 64 -11.046 16.815 4.244 1.00 21.10 H new ATOM 971 N CYS A 65 -9.346 14.706 8.771 1.00 64.52 N ATOM 972 CA CYS A 65 -10.112 14.838 10.005 1.00 53.14 C ATOM 973 C CYS A 65 -9.208 15.244 11.165 1.00 44.44 C ATOM 974 O CYS A 65 -9.410 16.286 11.787 1.00 23.24 O ATOM 975 CB CYS A 65 -10.822 13.523 10.331 1.00 61.41 C ATOM 976 SG CYS A 65 -11.677 13.522 11.925 1.00 51.43 S ATOM 0 H CYS A 65 -9.277 13.752 8.417 1.00 64.52 H new ATOM 0 HA CYS A 65 -10.858 15.619 9.860 1.00 53.14 H new ATOM 0 HB2 CYS A 65 -11.544 13.307 9.543 1.00 61.41 H new ATOM 0 HB3 CYS A 65 -10.090 12.715 10.323 1.00 61.41 H new ATOM 0 HG CYS A 65 -12.248 12.369 12.110 1.00 51.43 H new ATOM 982 N ASP A 66 -8.212 14.411 11.451 1.00 25.32 N ATOM 983 CA ASP A 66 -7.278 14.683 12.536 1.00 72.42 C ATOM 984 C ASP A 66 -6.514 15.980 12.285 1.00 21.13 C ATOM 985 O ASP A 66 -6.231 16.736 13.216 1.00 54.45 O ATOM 986 CB ASP A 66 -6.295 13.522 12.694 1.00 12.51 C ATOM 987 CG ASP A 66 -6.991 12.176 12.741 1.00 25.13 C ATOM 988 OD1 ASP A 66 -8.157 12.126 13.187 1.00 64.13 O ATOM 989 OD2 ASP A 66 -6.372 11.172 12.330 1.00 22.41 O ATOM 0 H ASP A 66 -8.032 13.543 10.946 1.00 25.32 H new ATOM 0 HA ASP A 66 -7.852 14.792 13.456 1.00 72.42 H new ATOM 0 HB2 ASP A 66 -5.588 13.533 11.865 1.00 12.51 H new ATOM 0 HB3 ASP A 66 -5.717 13.661 13.608 1.00 12.51 H new ATOM 994 N LEU A 67 -6.186 16.232 11.023 1.00 32.22 N ATOM 995 CA LEU A 67 -5.454 17.438 10.650 1.00 22.24 C ATOM 996 C LEU A 67 -6.323 18.679 10.832 1.00 73.15 C ATOM 997 O LEU A 67 -5.891 19.667 11.425 1.00 32.22 O ATOM 998 CB LEU A 67 -4.981 17.342 9.198 1.00 2.32 C ATOM 999 CG LEU A 67 -3.892 18.330 8.781 1.00 21.22 C ATOM 1000 CD1 LEU A 67 -2.627 18.105 9.594 1.00 60.44 C ATOM 1001 CD2 LEU A 67 -3.601 18.206 7.292 1.00 64.03 C ATOM 0 H LEU A 67 -6.415 15.618 10.241 1.00 32.22 H new ATOM 0 HA LEU A 67 -4.586 17.524 11.304 1.00 22.24 H new ATOM 0 HB2 LEU A 67 -4.613 16.331 9.023 1.00 2.32 H new ATOM 0 HB3 LEU A 67 -5.843 17.485 8.546 1.00 2.32 H new ATOM 0 HG LEU A 67 -4.250 19.340 8.978 1.00 21.22 H new ATOM 0 HD11 LEU A 67 -1.863 18.818 9.283 1.00 60.44 H new ATOM 0 HD12 LEU A 67 -2.845 18.246 10.653 1.00 60.44 H new ATOM 0 HD13 LEU A 67 -2.265 17.090 9.430 1.00 60.44 H new ATOM 0 HD21 LEU A 67 -2.823 18.917 7.013 1.00 64.03 H new ATOM 0 HD22 LEU A 67 -3.264 17.193 7.070 1.00 64.03 H new ATOM 0 HD23 LEU A 67 -4.507 18.419 6.725 1.00 64.03 H new ATOM 1013 N GLN A 68 -7.547 18.620 10.319 1.00 10.41 N ATOM 1014 CA GLN A 68 -8.475 19.739 10.427 1.00 1.21 C ATOM 1015 C GLN A 68 -8.640 20.172 11.881 1.00 42.41 C ATOM 1016 O GLN A 68 -8.669 21.364 12.183 1.00 44.25 O ATOM 1017 CB GLN A 68 -9.835 19.359 9.839 1.00 22.34 C ATOM 1018 CG GLN A 68 -10.904 20.421 10.044 1.00 44.22 C ATOM 1019 CD GLN A 68 -11.691 20.708 8.780 1.00 53.23 C ATOM 1020 OE1 GLN A 68 -11.163 20.614 7.671 1.00 53.04 O ATOM 1021 NE2 GLN A 68 -12.961 21.060 8.939 1.00 35.31 N ATOM 0 H GLN A 68 -7.919 17.809 9.824 1.00 10.41 H new ATOM 0 HA GLN A 68 -8.063 20.575 9.862 1.00 1.21 H new ATOM 0 HB2 GLN A 68 -9.721 19.172 8.771 1.00 22.34 H new ATOM 0 HB3 GLN A 68 -10.170 18.426 10.292 1.00 22.34 H new ATOM 0 HG2 GLN A 68 -11.588 20.096 10.828 1.00 44.22 H new ATOM 0 HG3 GLN A 68 -10.435 21.341 10.392 1.00 44.22 H new ATOM 0 HE21 GLN A 68 -13.359 21.126 9.876 1.00 35.31 H new ATOM 0 HE22 GLN A 68 -13.539 21.265 8.124 1.00 35.31 H new ATOM 1030 N GLU A 69 -8.747 19.194 12.776 1.00 43.42 N ATOM 1031 CA GLU A 69 -8.910 19.476 14.197 1.00 13.31 C ATOM 1032 C GLU A 69 -7.650 20.116 14.772 1.00 71.20 C ATOM 1033 O GLU A 69 -7.725 21.051 15.570 1.00 24.12 O ATOM 1034 CB GLU A 69 -9.236 18.189 14.960 1.00 22.32 C ATOM 1035 CG GLU A 69 -9.950 18.429 16.279 1.00 21.53 C ATOM 1036 CD GLU A 69 -9.774 17.282 17.255 1.00 72.44 C ATOM 1037 OE1 GLU A 69 -10.148 17.446 18.435 1.00 22.25 O ATOM 1038 OE2 GLU A 69 -9.260 16.223 16.840 1.00 30.23 O ATOM 0 H GLU A 69 -8.724 18.201 12.542 1.00 43.42 H new ATOM 0 HA GLU A 69 -9.737 20.177 14.311 1.00 13.31 H new ATOM 0 HB2 GLU A 69 -9.857 17.551 14.331 1.00 22.32 H new ATOM 0 HB3 GLU A 69 -8.311 17.645 15.151 1.00 22.32 H new ATOM 0 HG2 GLU A 69 -9.572 19.346 16.731 1.00 21.53 H new ATOM 0 HG3 GLU A 69 -11.013 18.581 16.090 1.00 21.53 H new ATOM 1045 N ARG A 70 -6.494 19.605 14.363 1.00 11.20 N ATOM 1046 CA ARG A 70 -5.217 20.125 14.839 1.00 4.42 C ATOM 1047 C ARG A 70 -4.996 21.554 14.351 1.00 2.44 C ATOM 1048 O ARG A 70 -4.819 22.473 15.151 1.00 51.21 O ATOM 1049 CB ARG A 70 -4.070 19.231 14.365 1.00 52.02 C ATOM 1050 CG ARG A 70 -4.059 17.858 15.017 1.00 1.34 C ATOM 1051 CD ARG A 70 -3.282 16.852 14.183 1.00 51.41 C ATOM 1052 NE ARG A 70 -2.895 15.678 14.961 1.00 35.23 N ATOM 1053 CZ ARG A 70 -1.861 15.657 15.796 1.00 44.32 C ATOM 1054 NH1 ARG A 70 -1.114 16.740 15.958 1.00 22.44 N ATOM 1055 NH2 ARG A 70 -1.573 14.550 16.469 1.00 24.31 N ATOM 0 H ARG A 70 -6.415 18.831 13.703 1.00 11.20 H new ATOM 0 HA ARG A 70 -5.239 20.130 15.929 1.00 4.42 H new ATOM 0 HB2 ARG A 70 -4.138 19.110 13.284 1.00 52.02 H new ATOM 0 HB3 ARG A 70 -3.123 19.729 14.571 1.00 52.02 H new ATOM 0 HG2 ARG A 70 -3.615 17.929 16.010 1.00 1.34 H new ATOM 0 HG3 ARG A 70 -5.083 17.509 15.150 1.00 1.34 H new ATOM 0 HD2 ARG A 70 -3.889 16.540 13.333 1.00 51.41 H new ATOM 0 HD3 ARG A 70 -2.389 17.329 13.779 1.00 51.41 H new ATOM 0 HE ARG A 70 -3.449 14.828 14.858 1.00 35.23 H new ATOM 0 HH11 ARG A 70 -1.332 17.592 15.441 1.00 22.44 H new ATOM 0 HH12 ARG A 70 -0.321 16.721 16.599 1.00 22.44 H new ATOM 0 HH21 ARG A 70 -2.145 13.715 16.346 1.00 24.31 H new ATOM 0 HH22 ARG A 70 -0.779 14.534 17.110 1.00 24.31 H new ATOM 1069 N ARG A 71 -5.010 21.733 13.034 1.00 73.12 N ATOM 1070 CA ARG A 71 -4.809 23.049 12.440 1.00 51.11 C ATOM 1071 C ARG A 71 -5.862 24.035 12.937 1.00 61.40 C ATOM 1072 O ARG A 71 -5.627 25.243 12.969 1.00 13.04 O ATOM 1073 CB ARG A 71 -4.861 22.957 10.913 1.00 74.10 C ATOM 1074 CG ARG A 71 -6.266 22.775 10.362 1.00 21.42 C ATOM 1075 CD ARG A 71 -6.838 24.088 9.850 1.00 72.03 C ATOM 1076 NE ARG A 71 -8.229 24.273 10.253 1.00 25.20 N ATOM 1077 CZ ARG A 71 -9.253 23.676 9.654 1.00 23.33 C ATOM 1078 NH1 ARG A 71 -9.042 22.860 8.630 1.00 61.21 N ATOM 1079 NH2 ARG A 71 -10.491 23.895 10.078 1.00 2.43 N ATOM 0 H ARG A 71 -5.158 20.983 12.358 1.00 73.12 H new ATOM 0 HA ARG A 71 -3.826 23.410 12.742 1.00 51.11 H new ATOM 0 HB2 ARG A 71 -4.427 23.862 10.488 1.00 74.10 H new ATOM 0 HB3 ARG A 71 -4.241 22.122 10.586 1.00 74.10 H new ATOM 0 HG2 ARG A 71 -6.249 22.044 9.553 1.00 21.42 H new ATOM 0 HG3 ARG A 71 -6.914 22.374 11.141 1.00 21.42 H new ATOM 0 HD2 ARG A 71 -6.238 24.916 10.227 1.00 72.03 H new ATOM 0 HD3 ARG A 71 -6.769 24.114 8.762 1.00 72.03 H new ATOM 0 HE ARG A 71 -8.425 24.895 11.037 1.00 25.20 H new ATOM 0 HH11 ARG A 71 -8.092 22.690 8.301 1.00 61.21 H new ATOM 0 HH12 ARG A 71 -9.830 22.403 8.172 1.00 61.21 H new ATOM 0 HH21 ARG A 71 -10.657 24.522 10.865 1.00 2.43 H new ATOM 0 HH22 ARG A 71 -11.277 23.436 9.617 1.00 2.43 H new ATOM 1093 N GLU A 72 -7.021 23.512 13.321 1.00 51.30 N ATOM 1094 CA GLU A 72 -8.110 24.348 13.815 1.00 53.20 C ATOM 1095 C GLU A 72 -7.736 25.000 15.143 1.00 64.41 C ATOM 1096 O GLU A 72 -7.718 26.226 15.263 1.00 2.52 O ATOM 1097 CB GLU A 72 -9.384 23.516 13.983 1.00 73.50 C ATOM 1098 CG GLU A 72 -10.502 24.256 14.698 1.00 33.22 C ATOM 1099 CD GLU A 72 -10.715 23.762 16.116 1.00 51.22 C ATOM 1100 OE1 GLU A 72 -10.741 24.603 17.039 1.00 22.02 O ATOM 1101 OE2 GLU A 72 -10.855 22.536 16.303 1.00 54.21 O ATOM 0 H GLU A 72 -7.231 22.514 13.300 1.00 51.30 H new ATOM 0 HA GLU A 72 -8.292 25.135 13.083 1.00 53.20 H new ATOM 0 HB2 GLU A 72 -9.737 23.204 13.000 1.00 73.50 H new ATOM 0 HB3 GLU A 72 -9.146 22.609 14.539 1.00 73.50 H new ATOM 0 HG2 GLU A 72 -10.272 25.321 14.719 1.00 33.22 H new ATOM 0 HG3 GLU A 72 -11.428 24.141 14.134 1.00 33.22 H new ATOM 1108 N LYS A 73 -7.438 24.172 16.139 1.00 65.24 N ATOM 1109 CA LYS A 73 -7.064 24.667 17.459 1.00 44.52 C ATOM 1110 C LYS A 73 -5.794 25.510 17.384 1.00 4.55 C ATOM 1111 O LYS A 73 -5.559 26.370 18.232 1.00 32.41 O ATOM 1112 CB LYS A 73 -6.855 23.497 18.423 1.00 41.11 C ATOM 1113 CG LYS A 73 -7.925 23.396 19.497 1.00 61.23 C ATOM 1114 CD LYS A 73 -8.053 21.977 20.025 1.00 24.25 C ATOM 1115 CE LYS A 73 -7.230 21.775 21.288 1.00 62.51 C ATOM 1116 NZ LYS A 73 -7.916 22.323 22.491 1.00 1.32 N ATOM 0 H LYS A 73 -7.448 23.155 16.057 1.00 65.24 H new ATOM 0 HA LYS A 73 -7.875 25.295 17.828 1.00 44.52 H new ATOM 0 HB2 LYS A 73 -6.834 22.567 17.854 1.00 41.11 H new ATOM 0 HB3 LYS A 73 -5.881 23.600 18.901 1.00 41.11 H new ATOM 0 HG2 LYS A 73 -7.682 24.070 20.318 1.00 61.23 H new ATOM 0 HG3 LYS A 73 -8.882 23.721 19.090 1.00 61.23 H new ATOM 0 HD2 LYS A 73 -9.100 21.758 20.233 1.00 24.25 H new ATOM 0 HD3 LYS A 73 -7.726 21.272 19.260 1.00 24.25 H new ATOM 0 HE2 LYS A 73 -7.040 20.711 21.431 1.00 62.51 H new ATOM 0 HE3 LYS A 73 -6.260 22.259 21.171 1.00 62.51 H new ATOM 0 HZ1 LYS A 73 -7.323 22.166 23.331 1.00 1.32 H new ATOM 0 HZ2 LYS A 73 -8.075 23.343 22.366 1.00 1.32 H new ATOM 0 HZ3 LYS A 73 -8.830 21.843 22.618 1.00 1.32 H new ATOM 1130 N PHE A 74 -4.981 25.258 16.363 1.00 22.25 N ATOM 1131 CA PHE A 74 -3.737 25.995 16.178 1.00 11.24 C ATOM 1132 C PHE A 74 -3.985 27.303 15.432 1.00 72.00 C ATOM 1133 O PHE A 74 -3.217 28.256 15.556 1.00 22.31 O ATOM 1134 CB PHE A 74 -2.724 25.141 15.412 1.00 72.41 C ATOM 1135 CG PHE A 74 -1.584 24.656 16.262 1.00 31.34 C ATOM 1136 CD1 PHE A 74 -1.811 23.786 17.316 1.00 43.01 C ATOM 1137 CD2 PHE A 74 -0.288 25.071 16.007 1.00 52.34 C ATOM 1138 CE1 PHE A 74 -0.765 23.337 18.100 1.00 33.11 C ATOM 1139 CE2 PHE A 74 0.763 24.624 16.787 1.00 33.43 C ATOM 1140 CZ PHE A 74 0.524 23.757 17.835 1.00 32.03 C ATOM 0 H PHE A 74 -5.162 24.549 15.652 1.00 22.25 H new ATOM 0 HA PHE A 74 -3.333 26.231 17.163 1.00 11.24 H new ATOM 0 HB2 PHE A 74 -3.237 24.281 14.982 1.00 72.41 H new ATOM 0 HB3 PHE A 74 -2.325 25.723 14.581 1.00 72.41 H new ATOM 0 HD1 PHE A 74 -2.817 23.455 17.528 1.00 43.01 H new ATOM 0 HD2 PHE A 74 -0.096 25.751 15.190 1.00 52.34 H new ATOM 0 HE1 PHE A 74 -0.955 22.659 18.919 1.00 33.11 H new ATOM 0 HE2 PHE A 74 1.770 24.953 16.577 1.00 33.43 H new ATOM 0 HZ PHE A 74 1.343 23.408 18.446 1.00 32.03 H new ATOM 1150 N GLY A 75 -5.064 27.338 14.655 1.00 74.51 N ATOM 1151 CA GLY A 75 -5.394 28.533 13.900 1.00 63.02 C ATOM 1152 C GLY A 75 -5.160 28.361 12.412 1.00 71.02 C ATOM 1153 O GLY A 75 -4.542 27.387 11.982 1.00 54.21 O ATOM 0 H GLY A 75 -5.714 26.561 14.535 1.00 74.51 H new ATOM 0 HA2 GLY A 75 -6.439 28.792 14.073 1.00 63.02 H new ATOM 0 HA3 GLY A 75 -4.795 29.367 14.265 1.00 63.02 H new ATOM 1157 N SER A 76 -5.657 29.308 11.623 1.00 70.15 N ATOM 1158 CA SER A 76 -5.504 29.254 10.174 1.00 60.13 C ATOM 1159 C SER A 76 -4.030 29.317 9.780 1.00 12.35 C ATOM 1160 O SER A 76 -3.206 29.873 10.505 1.00 32.15 O ATOM 1161 CB SER A 76 -6.268 30.404 9.516 1.00 24.13 C ATOM 1162 OG SER A 76 -7.646 30.355 9.845 1.00 72.44 O ATOM 0 H SER A 76 -6.169 30.122 11.963 1.00 70.15 H new ATOM 0 HA SER A 76 -5.916 28.307 9.825 1.00 60.13 H new ATOM 0 HB2 SER A 76 -5.847 31.356 9.839 1.00 24.13 H new ATOM 0 HB3 SER A 76 -6.147 30.353 8.434 1.00 24.13 H new ATOM 0 HG SER A 76 -8.112 31.101 9.414 1.00 72.44 H new ATOM 1168 N SER A 77 -3.708 28.741 8.627 1.00 40.41 N ATOM 1169 CA SER A 77 -2.335 28.726 8.137 1.00 53.21 C ATOM 1170 C SER A 77 -2.280 28.268 6.683 1.00 15.30 C ATOM 1171 O SER A 77 -2.714 27.164 6.351 1.00 22.34 O ATOM 1172 CB SER A 77 -1.471 27.809 9.006 1.00 42.02 C ATOM 1173 OG SER A 77 -0.566 27.060 8.213 1.00 62.53 O ATOM 0 H SER A 77 -4.379 28.278 8.014 1.00 40.41 H new ATOM 0 HA SER A 77 -1.945 29.742 8.193 1.00 53.21 H new ATOM 0 HB2 SER A 77 -0.917 28.405 9.731 1.00 42.02 H new ATOM 0 HB3 SER A 77 -2.110 27.132 9.573 1.00 42.02 H new ATOM 0 HG SER A 77 -0.024 26.483 8.791 1.00 62.53 H new ATOM 1179 N LYS A 78 -1.744 29.123 5.820 1.00 1.31 N ATOM 1180 CA LYS A 78 -1.630 28.807 4.400 1.00 32.45 C ATOM 1181 C LYS A 78 -0.916 27.476 4.194 1.00 14.33 C ATOM 1182 O LYS A 78 -1.139 26.789 3.198 1.00 64.40 O ATOM 1183 CB LYS A 78 -0.879 29.922 3.668 1.00 51.32 C ATOM 1184 CG LYS A 78 -1.791 30.906 2.956 1.00 15.45 C ATOM 1185 CD LYS A 78 -1.185 32.298 2.916 1.00 62.42 C ATOM 1186 CE LYS A 78 -0.988 32.779 1.487 1.00 44.21 C ATOM 1187 NZ LYS A 78 -2.275 33.173 0.851 1.00 13.42 N ATOM 0 H LYS A 78 -1.381 30.041 6.078 1.00 1.31 H new ATOM 0 HA LYS A 78 -2.636 28.725 3.989 1.00 32.45 H new ATOM 0 HB2 LYS A 78 -0.263 30.465 4.385 1.00 51.32 H new ATOM 0 HB3 LYS A 78 -0.202 29.475 2.940 1.00 51.32 H new ATOM 0 HG2 LYS A 78 -1.978 30.560 1.939 1.00 15.45 H new ATOM 0 HG3 LYS A 78 -2.755 30.942 3.463 1.00 15.45 H new ATOM 0 HD2 LYS A 78 -1.833 32.994 3.449 1.00 62.42 H new ATOM 0 HD3 LYS A 78 -0.227 32.294 3.435 1.00 62.42 H new ATOM 0 HE2 LYS A 78 -0.305 33.629 1.481 1.00 44.21 H new ATOM 0 HE3 LYS A 78 -0.520 31.989 0.900 1.00 44.21 H new ATOM 0 HZ1 LYS A 78 -2.097 33.495 -0.122 1.00 13.42 H new ATOM 0 HZ2 LYS A 78 -2.918 32.356 0.833 1.00 13.42 H new ATOM 0 HZ3 LYS A 78 -2.710 33.944 1.397 1.00 13.42 H new ATOM 1201 N GLU A 79 -0.057 27.117 5.144 1.00 2.45 N ATOM 1202 CA GLU A 79 0.689 25.867 5.064 1.00 13.22 C ATOM 1203 C GLU A 79 -0.248 24.667 5.167 1.00 12.22 C ATOM 1204 O GLU A 79 -0.309 23.835 4.260 1.00 12.33 O ATOM 1205 CB GLU A 79 1.740 25.804 6.175 1.00 43.11 C ATOM 1206 CG GLU A 79 2.807 26.881 6.066 1.00 15.14 C ATOM 1207 CD GLU A 79 2.811 27.819 7.257 1.00 21.30 C ATOM 1208 OE1 GLU A 79 3.218 27.384 8.354 1.00 44.41 O ATOM 1209 OE2 GLU A 79 2.407 28.990 7.092 1.00 42.54 O ATOM 0 H GLU A 79 0.139 27.673 5.976 1.00 2.45 H new ATOM 0 HA GLU A 79 1.190 25.833 4.096 1.00 13.22 H new ATOM 0 HB2 GLU A 79 1.242 25.894 7.140 1.00 43.11 H new ATOM 0 HB3 GLU A 79 2.220 24.826 6.154 1.00 43.11 H new ATOM 0 HG2 GLU A 79 3.786 26.410 5.976 1.00 15.14 H new ATOM 0 HG3 GLU A 79 2.645 27.457 5.155 1.00 15.14 H new ATOM 1216 N ILE A 80 -0.975 24.583 6.276 1.00 62.20 N ATOM 1217 CA ILE A 80 -1.909 23.487 6.496 1.00 53.54 C ATOM 1218 C ILE A 80 -3.079 23.557 5.522 1.00 10.44 C ATOM 1219 O ILE A 80 -3.502 22.541 4.969 1.00 54.41 O ATOM 1220 CB ILE A 80 -2.453 23.491 7.937 1.00 42.12 C ATOM 1221 CG1 ILE A 80 -1.299 23.462 8.942 1.00 1.44 C ATOM 1222 CG2 ILE A 80 -3.383 22.308 8.156 1.00 23.14 C ATOM 1223 CD1 ILE A 80 -1.753 23.495 10.384 1.00 21.31 C ATOM 0 H ILE A 80 -0.935 25.262 7.036 1.00 62.20 H new ATOM 0 HA ILE A 80 -1.356 22.563 6.328 1.00 53.54 H new ATOM 0 HB ILE A 80 -3.021 24.408 8.092 1.00 42.12 H new ATOM 0 HG12 ILE A 80 -0.706 22.562 8.777 1.00 1.44 H new ATOM 0 HG13 ILE A 80 -0.644 24.313 8.756 1.00 1.44 H new ATOM 0 HG21 ILE A 80 -3.759 22.325 9.179 1.00 23.14 H new ATOM 0 HG22 ILE A 80 -4.220 22.370 7.461 1.00 23.14 H new ATOM 0 HG23 ILE A 80 -2.837 21.380 7.985 1.00 23.14 H new ATOM 0 HD11 ILE A 80 -0.883 23.472 11.040 1.00 21.31 H new ATOM 0 HD12 ILE A 80 -2.321 24.408 10.566 1.00 21.31 H new ATOM 0 HD13 ILE A 80 -2.383 22.629 10.587 1.00 21.31 H new ATOM 1235 N ASP A 81 -3.598 24.762 5.316 1.00 41.42 N ATOM 1236 CA ASP A 81 -4.720 24.966 4.406 1.00 43.15 C ATOM 1237 C ASP A 81 -4.422 24.368 3.034 1.00 72.12 C ATOM 1238 O ASP A 81 -5.281 23.734 2.422 1.00 33.12 O ATOM 1239 CB ASP A 81 -5.028 26.458 4.269 1.00 41.31 C ATOM 1240 CG ASP A 81 -5.721 27.020 5.494 1.00 1.23 C ATOM 1241 OD1 ASP A 81 -6.559 27.933 5.335 1.00 34.21 O ATOM 1242 OD2 ASP A 81 -5.426 26.547 6.612 1.00 24.12 O ATOM 0 H ASP A 81 -3.260 25.613 5.766 1.00 41.42 H new ATOM 0 HA ASP A 81 -5.591 24.460 4.822 1.00 43.15 H new ATOM 0 HB2 ASP A 81 -4.100 27.003 4.098 1.00 41.31 H new ATOM 0 HB3 ASP A 81 -5.658 26.617 3.394 1.00 41.31 H new ATOM 1247 N MET A 82 -3.198 24.575 2.557 1.00 3.42 N ATOM 1248 CA MET A 82 -2.788 24.055 1.257 1.00 71.22 C ATOM 1249 C MET A 82 -2.650 22.537 1.298 1.00 63.13 C ATOM 1250 O MET A 82 -3.074 21.841 0.375 1.00 32.22 O ATOM 1251 CB MET A 82 -1.463 24.688 0.828 1.00 41.24 C ATOM 1252 CG MET A 82 -1.632 25.960 0.012 1.00 10.32 C ATOM 1253 SD MET A 82 -0.104 26.906 -0.125 1.00 73.12 S ATOM 1254 CE MET A 82 -0.745 28.528 -0.532 1.00 30.23 C ATOM 0 H MET A 82 -2.474 25.098 3.050 1.00 3.42 H new ATOM 0 HA MET A 82 -3.558 24.312 0.530 1.00 71.22 H new ATOM 0 HB2 MET A 82 -0.873 24.912 1.716 1.00 41.24 H new ATOM 0 HB3 MET A 82 -0.896 23.964 0.243 1.00 41.24 H new ATOM 0 HG2 MET A 82 -1.986 25.702 -0.986 1.00 10.32 H new ATOM 0 HG3 MET A 82 -2.400 26.582 0.471 1.00 10.32 H new ATOM 0 HE1 MET A 82 0.083 29.227 -0.649 1.00 30.23 H new ATOM 0 HE2 MET A 82 -1.309 28.473 -1.463 1.00 30.23 H new ATOM 0 HE3 MET A 82 -1.400 28.872 0.269 1.00 30.23 H new ATOM 1264 N ALA A 83 -2.056 22.029 2.372 1.00 70.33 N ATOM 1265 CA ALA A 83 -1.864 20.593 2.532 1.00 33.00 C ATOM 1266 C ALA A 83 -3.202 19.862 2.567 1.00 14.50 C ATOM 1267 O ALA A 83 -3.348 18.787 1.982 1.00 25.43 O ATOM 1268 CB ALA A 83 -1.070 20.304 3.798 1.00 61.43 C ATOM 0 H ALA A 83 -1.699 22.591 3.145 1.00 70.33 H new ATOM 0 HA ALA A 83 -1.302 20.228 1.672 1.00 33.00 H new ATOM 0 HB1 ALA A 83 -0.934 19.228 3.905 1.00 61.43 H new ATOM 0 HB2 ALA A 83 -0.095 20.788 3.735 1.00 61.43 H new ATOM 0 HB3 ALA A 83 -1.611 20.689 4.663 1.00 61.43 H new ATOM 1274 N ILE A 84 -4.174 20.449 3.256 1.00 21.41 N ATOM 1275 CA ILE A 84 -5.500 19.853 3.365 1.00 11.34 C ATOM 1276 C ILE A 84 -6.185 19.779 2.005 1.00 50.04 C ATOM 1277 O ILE A 84 -6.569 18.702 1.548 1.00 73.35 O ATOM 1278 CB ILE A 84 -6.395 20.646 4.336 1.00 3.42 C ATOM 1279 CG1 ILE A 84 -5.785 20.649 5.739 1.00 1.34 C ATOM 1280 CG2 ILE A 84 -7.798 20.056 4.363 1.00 72.43 C ATOM 1281 CD1 ILE A 84 -6.260 21.798 6.601 1.00 33.52 C ATOM 0 H ILE A 84 -4.069 21.337 3.747 1.00 21.41 H new ATOM 0 HA ILE A 84 -5.361 18.844 3.753 1.00 11.34 H new ATOM 0 HB ILE A 84 -6.461 21.677 3.988 1.00 3.42 H new ATOM 0 HG12 ILE A 84 -6.028 19.709 6.234 1.00 1.34 H new ATOM 0 HG13 ILE A 84 -4.699 20.693 5.654 1.00 1.34 H new ATOM 0 HG21 ILE A 84 -8.419 20.626 5.053 1.00 72.43 H new ATOM 0 HG22 ILE A 84 -8.231 20.101 3.364 1.00 72.43 H new ATOM 0 HG23 ILE A 84 -7.750 19.018 4.691 1.00 72.43 H new ATOM 0 HD11 ILE A 84 -5.787 21.737 7.581 1.00 33.52 H new ATOM 0 HD12 ILE A 84 -5.993 22.743 6.127 1.00 33.52 H new ATOM 0 HD13 ILE A 84 -7.342 21.743 6.716 1.00 33.52 H new ATOM 1293 N VAL A 85 -6.332 20.933 1.360 1.00 12.55 N ATOM 1294 CA VAL A 85 -6.968 20.999 0.049 1.00 34.40 C ATOM 1295 C VAL A 85 -6.276 20.074 -0.944 1.00 65.24 C ATOM 1296 O VAL A 85 -6.891 19.595 -1.897 1.00 41.13 O ATOM 1297 CB VAL A 85 -6.956 22.435 -0.507 1.00 1.02 C ATOM 1298 CG1 VAL A 85 -5.528 22.910 -0.730 1.00 32.33 C ATOM 1299 CG2 VAL A 85 -7.760 22.513 -1.796 1.00 60.20 C ATOM 0 H VAL A 85 -6.020 21.833 1.724 1.00 12.55 H new ATOM 0 HA VAL A 85 -8.001 20.677 0.180 1.00 34.40 H new ATOM 0 HB VAL A 85 -7.422 23.094 0.226 1.00 1.02 H new ATOM 0 HG11 VAL A 85 -5.540 23.927 -1.123 1.00 32.33 H new ATOM 0 HG12 VAL A 85 -4.987 22.893 0.216 1.00 32.33 H new ATOM 0 HG13 VAL A 85 -5.033 22.251 -1.443 1.00 32.33 H new ATOM 0 HG21 VAL A 85 -7.741 23.535 -2.175 1.00 60.20 H new ATOM 0 HG22 VAL A 85 -7.325 21.843 -2.537 1.00 60.20 H new ATOM 0 HG23 VAL A 85 -8.791 22.218 -1.600 1.00 60.20 H new ATOM 1309 N THR A 86 -4.989 19.826 -0.717 1.00 62.41 N ATOM 1310 CA THR A 86 -4.211 18.960 -1.592 1.00 44.41 C ATOM 1311 C THR A 86 -4.667 17.510 -1.477 1.00 4.34 C ATOM 1312 O THR A 86 -4.946 16.854 -2.482 1.00 3.02 O ATOM 1313 CB THR A 86 -2.707 19.040 -1.271 1.00 2.12 C ATOM 1314 OG1 THR A 86 -2.213 20.352 -1.563 1.00 54.32 O ATOM 1315 CG2 THR A 86 -1.927 18.008 -2.072 1.00 62.53 C ATOM 0 H THR A 86 -4.464 20.214 0.067 1.00 62.41 H new ATOM 0 HA THR A 86 -4.376 19.311 -2.611 1.00 44.41 H new ATOM 0 HB THR A 86 -2.572 18.830 -0.210 1.00 2.12 H new ATOM 0 HG1 THR A 86 -2.679 21.009 -1.004 1.00 54.32 H new ATOM 0 HG21 THR A 86 -0.867 18.084 -1.829 1.00 62.53 H new ATOM 0 HG22 THR A 86 -2.286 17.009 -1.825 1.00 62.53 H new ATOM 0 HG23 THR A 86 -2.069 18.191 -3.137 1.00 62.53 H new ATOM 1323 N LEU A 87 -4.743 17.014 -0.247 1.00 44.24 N ATOM 1324 CA LEU A 87 -5.167 15.641 0.000 1.00 54.44 C ATOM 1325 C LEU A 87 -6.587 15.409 -0.505 1.00 50.12 C ATOM 1326 O LEU A 87 -6.929 14.314 -0.952 1.00 70.51 O ATOM 1327 CB LEU A 87 -5.086 15.321 1.494 1.00 61.03 C ATOM 1328 CG LEU A 87 -3.782 15.707 2.193 1.00 44.01 C ATOM 1329 CD1 LEU A 87 -4.069 16.423 3.503 1.00 34.35 C ATOM 1330 CD2 LEU A 87 -2.922 14.475 2.434 1.00 63.13 C ATOM 0 H LEU A 87 -4.516 17.543 0.595 1.00 44.24 H new ATOM 0 HA LEU A 87 -4.495 14.977 -0.544 1.00 54.44 H new ATOM 0 HB2 LEU A 87 -5.909 15.827 1.999 1.00 61.03 H new ATOM 0 HB3 LEU A 87 -5.242 14.250 1.625 1.00 61.03 H new ATOM 0 HG LEU A 87 -3.233 16.389 1.544 1.00 44.01 H new ATOM 0 HD11 LEU A 87 -3.129 16.690 3.986 1.00 34.35 H new ATOM 0 HD12 LEU A 87 -4.644 17.327 3.305 1.00 34.35 H new ATOM 0 HD13 LEU A 87 -4.640 15.766 4.159 1.00 34.35 H new ATOM 0 HD21 LEU A 87 -1.998 14.768 2.932 1.00 63.13 H new ATOM 0 HD22 LEU A 87 -3.465 13.769 3.063 1.00 63.13 H new ATOM 0 HD23 LEU A 87 -2.686 14.004 1.480 1.00 63.13 H new ATOM 1342 N LYS A 88 -7.411 16.450 -0.433 1.00 15.43 N ATOM 1343 CA LYS A 88 -8.795 16.362 -0.886 1.00 73.51 C ATOM 1344 C LYS A 88 -8.864 16.252 -2.405 1.00 20.22 C ATOM 1345 O LYS A 88 -9.307 15.239 -2.944 1.00 1.45 O ATOM 1346 CB LYS A 88 -9.584 17.586 -0.415 1.00 11.53 C ATOM 1347 CG LYS A 88 -9.607 17.753 1.094 1.00 54.44 C ATOM 1348 CD LYS A 88 -9.923 19.184 1.493 1.00 52.44 C ATOM 1349 CE LYS A 88 -11.359 19.325 1.974 1.00 61.24 C ATOM 1350 NZ LYS A 88 -11.501 20.408 2.986 1.00 1.22 N ATOM 0 H LYS A 88 -7.145 17.363 -0.066 1.00 15.43 H new ATOM 0 HA LYS A 88 -9.237 15.464 -0.455 1.00 73.51 H new ATOM 0 HB2 LYS A 88 -9.152 18.480 -0.864 1.00 11.53 H new ATOM 0 HB3 LYS A 88 -10.609 17.509 -0.779 1.00 11.53 H new ATOM 0 HG2 LYS A 88 -10.351 17.082 1.524 1.00 54.44 H new ATOM 0 HG3 LYS A 88 -8.641 17.464 1.507 1.00 54.44 H new ATOM 0 HD2 LYS A 88 -9.241 19.502 2.282 1.00 52.44 H new ATOM 0 HD3 LYS A 88 -9.757 19.845 0.642 1.00 52.44 H new ATOM 0 HE2 LYS A 88 -12.008 19.535 1.124 1.00 61.24 H new ATOM 0 HE3 LYS A 88 -11.693 18.380 2.404 1.00 61.24 H new ATOM 0 HZ1 LYS A 88 -11.877 20.010 3.870 1.00 1.22 H new ATOM 0 HZ2 LYS A 88 -10.571 20.837 3.168 1.00 1.22 H new ATOM 0 HZ3 LYS A 88 -12.154 21.134 2.628 1.00 1.22 H new ATOM 1364 N VAL A 89 -8.421 17.302 -3.090 1.00 25.12 N ATOM 1365 CA VAL A 89 -8.431 17.322 -4.548 1.00 11.24 C ATOM 1366 C VAL A 89 -7.666 16.134 -5.120 1.00 15.50 C ATOM 1367 O VAL A 89 -7.916 15.703 -6.246 1.00 72.40 O ATOM 1368 CB VAL A 89 -7.818 18.625 -5.095 1.00 43.22 C ATOM 1369 CG1 VAL A 89 -6.366 18.754 -4.663 1.00 62.14 C ATOM 1370 CG2 VAL A 89 -7.938 18.673 -6.611 1.00 21.42 C ATOM 0 H VAL A 89 -8.051 18.149 -2.659 1.00 25.12 H new ATOM 0 HA VAL A 89 -9.474 17.261 -4.858 1.00 11.24 H new ATOM 0 HB VAL A 89 -8.371 19.469 -4.682 1.00 43.22 H new ATOM 0 HG11 VAL A 89 -5.950 19.680 -5.059 1.00 62.14 H new ATOM 0 HG12 VAL A 89 -6.310 18.767 -3.575 1.00 62.14 H new ATOM 0 HG13 VAL A 89 -5.796 17.907 -5.046 1.00 62.14 H new ATOM 0 HG21 VAL A 89 -7.500 19.600 -6.981 1.00 21.42 H new ATOM 0 HG22 VAL A 89 -7.410 17.824 -7.045 1.00 21.42 H new ATOM 0 HG23 VAL A 89 -8.990 18.630 -6.894 1.00 21.42 H new ATOM 1380 N PHE A 90 -6.732 15.606 -4.334 1.00 64.54 N ATOM 1381 CA PHE A 90 -5.928 14.466 -4.762 1.00 31.45 C ATOM 1382 C PHE A 90 -6.744 13.177 -4.711 1.00 63.15 C ATOM 1383 O PHE A 90 -6.631 12.325 -5.592 1.00 52.34 O ATOM 1384 CB PHE A 90 -4.685 14.332 -3.880 1.00 32.42 C ATOM 1385 CG PHE A 90 -3.823 13.155 -4.235 1.00 50.31 C ATOM 1386 CD1 PHE A 90 -3.106 13.136 -5.421 1.00 33.41 C ATOM 1387 CD2 PHE A 90 -3.729 12.066 -3.384 1.00 14.15 C ATOM 1388 CE1 PHE A 90 -2.311 12.054 -5.749 1.00 25.42 C ATOM 1389 CE2 PHE A 90 -2.936 10.981 -3.707 1.00 72.50 C ATOM 1390 CZ PHE A 90 -2.227 10.975 -4.892 1.00 25.35 C ATOM 0 H PHE A 90 -6.514 15.949 -3.399 1.00 64.54 H new ATOM 0 HA PHE A 90 -5.616 14.638 -5.792 1.00 31.45 H new ATOM 0 HB2 PHE A 90 -4.093 15.243 -3.960 1.00 32.42 H new ATOM 0 HB3 PHE A 90 -4.996 14.244 -2.839 1.00 32.42 H new ATOM 0 HD1 PHE A 90 -3.169 13.976 -6.097 1.00 33.41 H new ATOM 0 HD2 PHE A 90 -4.282 12.065 -2.456 1.00 14.15 H new ATOM 0 HE1 PHE A 90 -1.756 12.053 -6.675 1.00 25.42 H new ATOM 0 HE2 PHE A 90 -2.871 10.139 -3.034 1.00 72.50 H new ATOM 0 HZ PHE A 90 -1.608 10.128 -5.148 1.00 25.35 H new ATOM 1400 N ALA A 91 -7.563 13.043 -3.675 1.00 54.41 N ATOM 1401 CA ALA A 91 -8.398 11.860 -3.509 1.00 52.43 C ATOM 1402 C ALA A 91 -9.516 11.826 -4.546 1.00 42.05 C ATOM 1403 O ALA A 91 -9.783 10.789 -5.152 1.00 1.04 O ATOM 1404 CB ALA A 91 -8.979 11.815 -2.104 1.00 71.43 C ATOM 0 H ALA A 91 -7.667 13.739 -2.937 1.00 54.41 H new ATOM 0 HA ALA A 91 -7.771 10.981 -3.659 1.00 52.43 H new ATOM 0 HB1 ALA A 91 -9.600 10.926 -1.995 1.00 71.43 H new ATOM 0 HB2 ALA A 91 -8.168 11.782 -1.376 1.00 71.43 H new ATOM 0 HB3 ALA A 91 -9.585 12.704 -1.932 1.00 71.43 H new ATOM 1410 N VAL A 92 -10.166 12.969 -4.746 1.00 74.34 N ATOM 1411 CA VAL A 92 -11.254 13.070 -5.710 1.00 20.41 C ATOM 1412 C VAL A 92 -10.735 12.960 -7.139 1.00 33.53 C ATOM 1413 O VAL A 92 -11.214 12.142 -7.923 1.00 53.44 O ATOM 1414 CB VAL A 92 -12.019 14.398 -5.555 1.00 33.32 C ATOM 1415 CG1 VAL A 92 -13.264 14.403 -6.428 1.00 23.40 C ATOM 1416 CG2 VAL A 92 -12.381 14.637 -4.096 1.00 53.41 C ATOM 0 H VAL A 92 -9.957 13.837 -4.253 1.00 74.34 H new ATOM 0 HA VAL A 92 -11.933 12.241 -5.508 1.00 20.41 H new ATOM 0 HB VAL A 92 -11.371 15.210 -5.884 1.00 33.32 H new ATOM 0 HG11 VAL A 92 -13.791 15.349 -6.305 1.00 23.40 H new ATOM 0 HG12 VAL A 92 -12.977 14.281 -7.472 1.00 23.40 H new ATOM 0 HG13 VAL A 92 -13.918 13.582 -6.134 1.00 23.40 H new ATOM 0 HG21 VAL A 92 -12.921 15.579 -4.005 1.00 53.41 H new ATOM 0 HG22 VAL A 92 -13.011 13.822 -3.739 1.00 53.41 H new ATOM 0 HG23 VAL A 92 -11.471 14.681 -3.498 1.00 53.41 H new ATOM 1426 N ALA A 93 -9.751 13.791 -7.471 1.00 62.20 N ATOM 1427 CA ALA A 93 -9.164 13.785 -8.806 1.00 15.42 C ATOM 1428 C ALA A 93 -8.286 12.557 -9.013 1.00 41.44 C ATOM 1429 O ALA A 93 -7.899 12.240 -10.138 1.00 23.34 O ATOM 1430 CB ALA A 93 -8.360 15.057 -9.033 1.00 1.42 C ATOM 0 H ALA A 93 -9.344 14.476 -6.834 1.00 62.20 H new ATOM 0 HA ALA A 93 -9.974 13.746 -9.534 1.00 15.42 H new ATOM 0 HB1 ALA A 93 -7.927 15.040 -10.033 1.00 1.42 H new ATOM 0 HB2 ALA A 93 -9.014 15.923 -8.935 1.00 1.42 H new ATOM 0 HB3 ALA A 93 -7.562 15.120 -8.293 1.00 1.42 H new ATOM 1436 N GLY A 94 -7.973 11.866 -7.920 1.00 64.14 N ATOM 1437 CA GLY A 94 -7.141 10.680 -8.006 1.00 15.12 C ATOM 1438 C GLY A 94 -7.949 9.399 -7.931 1.00 53.43 C ATOM 1439 O GLY A 94 -8.188 8.747 -8.948 1.00 13.13 O ATOM 0 H GLY A 94 -8.281 12.107 -6.978 1.00 64.14 H new ATOM 0 HA2 GLY A 94 -6.582 10.699 -8.941 1.00 15.12 H new ATOM 0 HA3 GLY A 94 -6.410 10.693 -7.197 1.00 15.12 H new ATOM 1443 N LEU A 95 -8.368 9.035 -6.723 1.00 62.31 N ATOM 1444 CA LEU A 95 -9.152 7.822 -6.518 1.00 25.20 C ATOM 1445 C LEU A 95 -10.462 7.884 -7.297 1.00 13.21 C ATOM 1446 O LEU A 95 -10.817 6.945 -8.010 1.00 41.32 O ATOM 1447 CB LEU A 95 -9.439 7.622 -5.030 1.00 35.30 C ATOM 1448 CG LEU A 95 -8.284 7.072 -4.192 1.00 1.54 C ATOM 1449 CD1 LEU A 95 -7.795 5.749 -4.761 1.00 14.30 C ATOM 1450 CD2 LEU A 95 -7.145 8.079 -4.125 1.00 12.01 C ATOM 0 H LEU A 95 -8.178 9.563 -5.871 1.00 62.31 H new ATOM 0 HA LEU A 95 -8.571 6.976 -6.886 1.00 25.20 H new ATOM 0 HB2 LEU A 95 -9.745 8.579 -4.607 1.00 35.30 H new ATOM 0 HB3 LEU A 95 -10.287 6.945 -4.932 1.00 35.30 H new ATOM 0 HG LEU A 95 -8.647 6.897 -3.179 1.00 1.54 H new ATOM 0 HD11 LEU A 95 -6.973 5.373 -4.152 1.00 14.30 H new ATOM 0 HD12 LEU A 95 -8.611 5.027 -4.755 1.00 14.30 H new ATOM 0 HD13 LEU A 95 -7.450 5.898 -5.784 1.00 14.30 H new ATOM 0 HD21 LEU A 95 -6.332 7.670 -3.525 1.00 12.01 H new ATOM 0 HD22 LEU A 95 -6.783 8.287 -5.132 1.00 12.01 H new ATOM 0 HD23 LEU A 95 -7.502 9.003 -3.670 1.00 12.01 H new ATOM 1462 N LEU A 96 -11.177 8.995 -7.156 1.00 40.52 N ATOM 1463 CA LEU A 96 -12.447 9.179 -7.849 1.00 33.44 C ATOM 1464 C LEU A 96 -12.222 9.536 -9.314 1.00 24.12 C ATOM 1465 O LEU A 96 -13.172 9.650 -10.088 1.00 31.41 O ATOM 1466 CB LEU A 96 -13.268 10.276 -7.165 1.00 53.41 C ATOM 1467 CG LEU A 96 -14.703 9.905 -6.790 1.00 63.10 C ATOM 1468 CD1 LEU A 96 -14.806 9.609 -5.303 1.00 55.02 C ATOM 1469 CD2 LEU A 96 -15.662 11.020 -7.183 1.00 51.21 C ATOM 0 H LEU A 96 -10.899 9.781 -6.569 1.00 40.52 H new ATOM 0 HA LEU A 96 -12.997 8.239 -7.804 1.00 33.44 H new ATOM 0 HB2 LEU A 96 -12.745 10.582 -6.259 1.00 53.41 H new ATOM 0 HB3 LEU A 96 -13.299 11.143 -7.824 1.00 53.41 H new ATOM 0 HG LEU A 96 -14.981 9.005 -7.338 1.00 63.10 H new ATOM 0 HD11 LEU A 96 -15.834 9.347 -5.055 1.00 55.02 H new ATOM 0 HD12 LEU A 96 -14.149 8.777 -5.051 1.00 55.02 H new ATOM 0 HD13 LEU A 96 -14.509 10.491 -4.735 1.00 55.02 H new ATOM 0 HD21 LEU A 96 -16.679 10.739 -6.909 1.00 51.21 H new ATOM 0 HD22 LEU A 96 -15.386 11.937 -6.663 1.00 51.21 H new ATOM 0 HD23 LEU A 96 -15.609 11.183 -8.259 1.00 51.21 H new ATOM 1481 N ASN A 97 -10.959 9.708 -9.689 1.00 45.51 N ATOM 1482 CA ASN A 97 -10.608 10.049 -11.063 1.00 25.45 C ATOM 1483 C ASN A 97 -11.415 11.251 -11.547 1.00 51.41 C ATOM 1484 O ASN A 97 -11.717 11.370 -12.734 1.00 64.53 O ATOM 1485 CB ASN A 97 -10.851 8.853 -11.986 1.00 55.41 C ATOM 1486 CG ASN A 97 -9.909 8.839 -13.173 1.00 41.33 C ATOM 1487 OD1 ASN A 97 -8.703 9.039 -13.025 1.00 43.42 O ATOM 1488 ND2 ASN A 97 -10.455 8.601 -14.360 1.00 11.23 N ATOM 0 H ASN A 97 -10.161 9.617 -9.060 1.00 45.51 H new ATOM 0 HA ASN A 97 -9.550 10.309 -11.088 1.00 25.45 H new ATOM 0 HB2 ASN A 97 -10.731 7.930 -11.419 1.00 55.41 H new ATOM 0 HB3 ASN A 97 -11.881 8.876 -12.343 1.00 55.41 H new ATOM 0 HD21 ASN A 97 -9.870 8.579 -15.195 1.00 11.23 H new ATOM 0 HD22 ASN A 97 -11.459 8.441 -14.436 1.00 11.23 H new ATOM 1495 N MET A 98 -11.761 12.137 -10.619 1.00 24.13 N ATOM 1496 CA MET A 98 -12.531 13.329 -10.953 1.00 70.31 C ATOM 1497 C MET A 98 -11.699 14.298 -11.788 1.00 13.10 C ATOM 1498 O MET A 98 -10.471 14.312 -11.702 1.00 73.23 O ATOM 1499 CB MET A 98 -13.014 14.023 -9.677 1.00 43.30 C ATOM 1500 CG MET A 98 -14.348 14.734 -9.840 1.00 51.20 C ATOM 1501 SD MET A 98 -15.727 13.588 -10.024 1.00 21.12 S ATOM 1502 CE MET A 98 -16.431 14.151 -11.572 1.00 14.54 C ATOM 0 H MET A 98 -11.521 12.052 -9.631 1.00 24.13 H new ATOM 0 HA MET A 98 -13.395 13.020 -11.541 1.00 70.31 H new ATOM 0 HB2 MET A 98 -13.101 13.283 -8.881 1.00 43.30 H new ATOM 0 HB3 MET A 98 -12.263 14.746 -9.360 1.00 43.30 H new ATOM 0 HG2 MET A 98 -14.524 15.372 -8.974 1.00 51.20 H new ATOM 0 HG3 MET A 98 -14.304 15.386 -10.712 1.00 51.20 H new ATOM 0 HE1 MET A 98 -17.297 13.538 -11.822 1.00 14.54 H new ATOM 0 HE2 MET A 98 -16.739 15.192 -11.474 1.00 14.54 H new ATOM 0 HE3 MET A 98 -15.686 14.066 -12.363 1.00 14.54 H new ATOM 1512 N THR A 99 -12.377 15.107 -12.598 1.00 51.12 N ATOM 1513 CA THR A 99 -11.700 16.076 -13.449 1.00 43.20 C ATOM 1514 C THR A 99 -11.663 17.452 -12.795 1.00 14.12 C ATOM 1515 O THR A 99 -11.997 18.458 -13.420 1.00 2.01 O ATOM 1516 CB THR A 99 -12.387 16.193 -14.823 1.00 4.54 C ATOM 1517 OG1 THR A 99 -12.824 14.903 -15.264 1.00 14.44 O ATOM 1518 CG2 THR A 99 -11.441 16.792 -15.852 1.00 2.24 C ATOM 0 H THR A 99 -13.394 15.109 -12.682 1.00 51.12 H new ATOM 0 HA THR A 99 -10.681 15.715 -13.589 1.00 43.20 H new ATOM 0 HB THR A 99 -13.249 16.852 -14.718 1.00 4.54 H new ATOM 0 HG1 THR A 99 -13.261 14.987 -16.137 1.00 14.44 H new ATOM 0 HG21 THR A 99 -11.948 16.865 -16.814 1.00 2.24 H new ATOM 0 HG22 THR A 99 -11.133 17.786 -15.528 1.00 2.24 H new ATOM 0 HG23 THR A 99 -10.562 16.155 -15.953 1.00 2.24 H new ATOM 1526 N VAL A 100 -11.254 17.489 -11.530 1.00 21.41 N ATOM 1527 CA VAL A 100 -11.171 18.743 -10.790 1.00 10.34 C ATOM 1528 C VAL A 100 -10.377 19.787 -11.565 1.00 64.33 C ATOM 1529 O VAL A 100 -9.404 19.463 -12.248 1.00 34.45 O ATOM 1530 CB VAL A 100 -10.518 18.538 -9.410 1.00 14.11 C ATOM 1531 CG1 VAL A 100 -10.437 19.856 -8.657 1.00 31.33 C ATOM 1532 CG2 VAL A 100 -11.288 17.501 -8.606 1.00 33.22 C ATOM 0 H VAL A 100 -10.975 16.665 -10.997 1.00 21.41 H new ATOM 0 HA VAL A 100 -12.193 19.097 -10.652 1.00 10.34 H new ATOM 0 HB VAL A 100 -9.503 18.169 -9.558 1.00 14.11 H new ATOM 0 HG11 VAL A 100 -9.973 19.692 -7.685 1.00 31.33 H new ATOM 0 HG12 VAL A 100 -9.839 20.566 -9.229 1.00 31.33 H new ATOM 0 HG13 VAL A 100 -11.441 20.257 -8.517 1.00 31.33 H new ATOM 0 HG21 VAL A 100 -10.813 17.368 -7.634 1.00 33.22 H new ATOM 0 HG22 VAL A 100 -12.315 17.839 -8.465 1.00 33.22 H new ATOM 0 HG23 VAL A 100 -11.288 16.552 -9.142 1.00 33.22 H new ATOM 1542 N SER A 101 -10.797 21.044 -11.457 1.00 12.40 N ATOM 1543 CA SER A 101 -10.127 22.137 -12.151 1.00 1.14 C ATOM 1544 C SER A 101 -9.366 23.020 -11.167 1.00 53.35 C ATOM 1545 O SER A 101 -8.317 23.575 -11.495 1.00 3.12 O ATOM 1546 CB SER A 101 -11.144 22.978 -12.925 1.00 3.34 C ATOM 1547 OG SER A 101 -12.335 22.246 -13.163 1.00 54.15 O ATOM 0 H SER A 101 -11.599 21.330 -10.895 1.00 12.40 H new ATOM 0 HA SER A 101 -9.414 21.705 -12.853 1.00 1.14 H new ATOM 0 HB2 SER A 101 -11.376 23.883 -12.363 1.00 3.34 H new ATOM 0 HB3 SER A 101 -10.712 23.294 -13.874 1.00 3.34 H new ATOM 0 HG SER A 101 -12.970 22.806 -13.657 1.00 54.15 H new ATOM 1553 N THR A 102 -9.902 23.145 -9.957 1.00 53.43 N ATOM 1554 CA THR A 102 -9.275 23.960 -8.924 1.00 31.31 C ATOM 1555 C THR A 102 -9.337 23.269 -7.566 1.00 63.34 C ATOM 1556 O THR A 102 -10.352 22.675 -7.207 1.00 10.50 O ATOM 1557 CB THR A 102 -9.946 25.342 -8.815 1.00 34.24 C ATOM 1558 OG1 THR A 102 -11.250 25.210 -8.239 1.00 1.14 O ATOM 1559 CG2 THR A 102 -10.054 26.001 -10.182 1.00 14.41 C ATOM 0 H THR A 102 -10.769 22.692 -9.668 1.00 53.43 H new ATOM 0 HA THR A 102 -8.233 24.092 -9.214 1.00 31.31 H new ATOM 0 HB THR A 102 -9.328 25.971 -8.174 1.00 34.24 H new ATOM 0 HG1 THR A 102 -11.360 25.871 -7.524 1.00 1.14 H new ATOM 0 HG21 THR A 102 -10.531 26.976 -10.079 1.00 14.41 H new ATOM 0 HG22 THR A 102 -9.057 26.128 -10.605 1.00 14.41 H new ATOM 0 HG23 THR A 102 -10.651 25.373 -10.843 1.00 14.41 H new ATOM 1567 N ALA A 103 -8.243 23.353 -6.815 1.00 1.23 N ATOM 1568 CA ALA A 103 -8.174 22.739 -5.495 1.00 44.32 C ATOM 1569 C ALA A 103 -9.363 23.153 -4.634 1.00 70.44 C ATOM 1570 O ALA A 103 -9.842 22.377 -3.807 1.00 64.30 O ATOM 1571 CB ALA A 103 -6.867 23.108 -4.809 1.00 13.12 C ATOM 0 H ALA A 103 -7.393 23.840 -7.099 1.00 1.23 H new ATOM 0 HA ALA A 103 -8.211 21.657 -5.622 1.00 44.32 H new ATOM 0 HB1 ALA A 103 -6.829 22.643 -3.824 1.00 13.12 H new ATOM 0 HB2 ALA A 103 -6.029 22.755 -5.410 1.00 13.12 H new ATOM 0 HB3 ALA A 103 -6.806 24.191 -4.701 1.00 13.12 H new ATOM 1577 N ALA A 104 -9.831 24.380 -4.833 1.00 35.44 N ATOM 1578 CA ALA A 104 -10.965 24.897 -4.074 1.00 62.32 C ATOM 1579 C ALA A 104 -12.229 24.094 -4.360 1.00 42.41 C ATOM 1580 O ALA A 104 -12.887 23.605 -3.443 1.00 72.24 O ATOM 1581 CB ALA A 104 -11.187 26.367 -4.394 1.00 23.12 C ATOM 0 H ALA A 104 -9.444 25.035 -5.512 1.00 35.44 H new ATOM 0 HA ALA A 104 -10.736 24.798 -3.013 1.00 62.32 H new ATOM 0 HB1 ALA A 104 -12.036 26.740 -3.821 1.00 23.12 H new ATOM 0 HB2 ALA A 104 -10.295 26.935 -4.132 1.00 23.12 H new ATOM 0 HB3 ALA A 104 -11.390 26.481 -5.459 1.00 23.12 H new ATOM 1587 N ALA A 105 -12.563 23.962 -5.640 1.00 60.12 N ATOM 1588 CA ALA A 105 -13.748 23.217 -6.047 1.00 42.30 C ATOM 1589 C ALA A 105 -13.713 21.792 -5.506 1.00 42.34 C ATOM 1590 O ALA A 105 -14.744 21.232 -5.136 1.00 73.32 O ATOM 1591 CB ALA A 105 -13.869 23.205 -7.564 1.00 70.01 C ATOM 0 H ALA A 105 -12.030 24.361 -6.412 1.00 60.12 H new ATOM 0 HA ALA A 105 -14.622 23.716 -5.628 1.00 42.30 H new ATOM 0 HB1 ALA A 105 -14.758 22.645 -7.854 1.00 70.01 H new ATOM 0 HB2 ALA A 105 -13.949 24.228 -7.931 1.00 70.01 H new ATOM 0 HB3 ALA A 105 -12.986 22.733 -7.996 1.00 70.01 H new ATOM 1597 N ALA A 106 -12.518 21.208 -5.466 1.00 22.23 N ATOM 1598 CA ALA A 106 -12.349 19.848 -4.969 1.00 22.44 C ATOM 1599 C ALA A 106 -12.712 19.754 -3.491 1.00 33.11 C ATOM 1600 O ALA A 106 -13.565 18.957 -3.102 1.00 4.21 O ATOM 1601 CB ALA A 106 -10.919 19.379 -5.195 1.00 11.34 C ATOM 0 H ALA A 106 -11.654 21.656 -5.772 1.00 22.23 H new ATOM 0 HA ALA A 106 -13.026 19.198 -5.523 1.00 22.44 H new ATOM 0 HB1 ALA A 106 -10.806 18.362 -4.819 1.00 11.34 H new ATOM 0 HB2 ALA A 106 -10.694 19.399 -6.261 1.00 11.34 H new ATOM 0 HB3 ALA A 106 -10.232 20.039 -4.666 1.00 11.34 H new ATOM 1607 N GLU A 107 -12.059 20.573 -2.672 1.00 41.43 N ATOM 1608 CA GLU A 107 -12.313 20.579 -1.236 1.00 44.34 C ATOM 1609 C GLU A 107 -13.754 20.984 -0.942 1.00 32.34 C ATOM 1610 O GLU A 107 -14.362 20.503 0.014 1.00 74.45 O ATOM 1611 CB GLU A 107 -11.348 21.534 -0.530 1.00 12.23 C ATOM 1612 CG GLU A 107 -11.462 22.973 -1.001 1.00 61.22 C ATOM 1613 CD GLU A 107 -10.591 23.920 -0.198 1.00 30.10 C ATOM 1614 OE1 GLU A 107 -10.597 25.132 -0.502 1.00 3.24 O ATOM 1615 OE2 GLU A 107 -9.903 23.451 0.733 1.00 2.44 O ATOM 0 H GLU A 107 -11.351 21.240 -2.978 1.00 41.43 H new ATOM 0 HA GLU A 107 -12.153 19.569 -0.859 1.00 44.34 H new ATOM 0 HB2 GLU A 107 -11.533 21.496 0.543 1.00 12.23 H new ATOM 0 HB3 GLU A 107 -10.327 21.188 -0.689 1.00 12.23 H new ATOM 0 HG2 GLU A 107 -11.181 23.031 -2.053 1.00 61.22 H new ATOM 0 HG3 GLU A 107 -12.502 23.293 -0.931 1.00 61.22 H new ATOM 1622 N ASN A 108 -14.294 21.873 -1.769 1.00 35.42 N ATOM 1623 CA ASN A 108 -15.663 22.345 -1.596 1.00 33.02 C ATOM 1624 C ASN A 108 -16.652 21.185 -1.676 1.00 23.42 C ATOM 1625 O ASN A 108 -17.553 21.065 -0.845 1.00 63.42 O ATOM 1626 CB ASN A 108 -16.002 23.393 -2.659 1.00 54.24 C ATOM 1627 CG ASN A 108 -17.488 23.684 -2.729 1.00 22.44 C ATOM 1628 OD1 ASN A 108 -18.202 23.574 -1.733 1.00 15.32 O ATOM 1629 ND2 ASN A 108 -17.961 24.061 -3.912 1.00 4.14 N ATOM 0 H ASN A 108 -13.805 22.281 -2.566 1.00 35.42 H new ATOM 0 HA ASN A 108 -15.742 22.800 -0.609 1.00 33.02 H new ATOM 0 HB2 ASN A 108 -15.464 24.315 -2.441 1.00 54.24 H new ATOM 0 HB3 ASN A 108 -15.656 23.045 -3.632 1.00 54.24 H new ATOM 0 HD21 ASN A 108 -18.953 24.273 -4.021 1.00 4.14 H new ATOM 0 HD22 ASN A 108 -17.332 24.139 -4.711 1.00 4.14 H new ATOM 1636 N MET A 109 -16.476 20.334 -2.681 1.00 31.03 N ATOM 1637 CA MET A 109 -17.353 19.183 -2.869 1.00 73.03 C ATOM 1638 C MET A 109 -16.977 18.053 -1.916 1.00 33.24 C ATOM 1639 O MET A 109 -17.846 17.400 -1.339 1.00 3.35 O ATOM 1640 CB MET A 109 -17.280 18.690 -4.315 1.00 64.14 C ATOM 1641 CG MET A 109 -18.402 17.735 -4.689 1.00 12.41 C ATOM 1642 SD MET A 109 -18.195 17.031 -6.337 1.00 34.13 S ATOM 1643 CE MET A 109 -18.140 15.282 -5.953 1.00 23.43 C ATOM 0 H MET A 109 -15.735 20.419 -3.377 1.00 31.03 H new ATOM 0 HA MET A 109 -18.374 19.496 -2.650 1.00 73.03 H new ATOM 0 HB2 MET A 109 -17.307 19.549 -4.985 1.00 64.14 H new ATOM 0 HB3 MET A 109 -16.323 18.193 -4.473 1.00 64.14 H new ATOM 0 HG2 MET A 109 -18.447 16.929 -3.957 1.00 12.41 H new ATOM 0 HG3 MET A 109 -19.354 18.263 -4.641 1.00 12.41 H new ATOM 0 HE1 MET A 109 -17.874 14.721 -6.849 1.00 23.43 H new ATOM 0 HE2 MET A 109 -17.395 15.103 -5.178 1.00 23.43 H new ATOM 0 HE3 MET A 109 -19.118 14.956 -5.598 1.00 23.43 H new ATOM 1653 N TYR A 110 -15.678 17.828 -1.754 1.00 24.21 N ATOM 1654 CA TYR A 110 -15.188 16.775 -0.872 1.00 22.20 C ATOM 1655 C TYR A 110 -15.766 16.927 0.532 1.00 63.44 C ATOM 1656 O TYR A 110 -16.086 15.941 1.193 1.00 54.43 O ATOM 1657 CB TYR A 110 -13.659 16.802 -0.812 1.00 1.52 C ATOM 1658 CG TYR A 110 -13.054 15.540 -0.239 1.00 13.11 C ATOM 1659 CD1 TYR A 110 -13.151 14.330 -0.915 1.00 32.43 C ATOM 1660 CD2 TYR A 110 -12.387 15.558 0.980 1.00 21.43 C ATOM 1661 CE1 TYR A 110 -12.601 13.175 -0.394 1.00 70.23 C ATOM 1662 CE2 TYR A 110 -11.832 14.408 1.507 1.00 30.32 C ATOM 1663 CZ TYR A 110 -11.942 13.219 0.816 1.00 71.20 C ATOM 1664 OH TYR A 110 -11.392 12.072 1.339 1.00 54.54 O ATOM 0 H TYR A 110 -14.945 18.361 -2.222 1.00 24.21 H new ATOM 0 HA TYR A 110 -15.513 15.816 -1.277 1.00 22.20 H new ATOM 0 HB2 TYR A 110 -13.267 16.959 -1.817 1.00 1.52 H new ATOM 0 HB3 TYR A 110 -13.342 17.653 -0.209 1.00 1.52 H new ATOM 0 HD1 TYR A 110 -13.665 14.292 -1.864 1.00 32.43 H new ATOM 0 HD2 TYR A 110 -12.301 16.487 1.525 1.00 21.43 H new ATOM 0 HE1 TYR A 110 -12.687 12.242 -0.932 1.00 70.23 H new ATOM 0 HE2 TYR A 110 -11.315 14.440 2.455 1.00 30.32 H new ATOM 0 HH TYR A 110 -11.677 11.968 2.271 1.00 54.54 H new ATOM 1674 N SER A 111 -15.897 18.173 0.979 1.00 45.25 N ATOM 1675 CA SER A 111 -16.432 18.457 2.305 1.00 0.40 C ATOM 1676 C SER A 111 -17.954 18.554 2.266 1.00 52.01 C ATOM 1677 O SER A 111 -18.633 18.208 3.232 1.00 14.44 O ATOM 1678 CB SER A 111 -15.840 19.757 2.850 1.00 1.32 C ATOM 1679 OG SER A 111 -14.539 19.546 3.371 1.00 33.10 O ATOM 0 H SER A 111 -15.640 19.001 0.442 1.00 45.25 H new ATOM 0 HA SER A 111 -16.154 17.636 2.966 1.00 0.40 H new ATOM 0 HB2 SER A 111 -15.801 20.503 2.056 1.00 1.32 H new ATOM 0 HB3 SER A 111 -16.488 20.156 3.631 1.00 1.32 H new ATOM 0 HG SER A 111 -14.370 20.182 4.097 1.00 33.10 H new ATOM 1685 N GLN A 112 -18.482 19.029 1.142 1.00 71.11 N ATOM 1686 CA GLN A 112 -19.924 19.173 0.976 1.00 74.51 C ATOM 1687 C GLN A 112 -20.602 17.810 0.897 1.00 11.12 C ATOM 1688 O GLN A 112 -21.776 17.669 1.238 1.00 61.55 O ATOM 1689 CB GLN A 112 -20.235 19.986 -0.282 1.00 74.22 C ATOM 1690 CG GLN A 112 -20.308 21.484 -0.036 1.00 74.15 C ATOM 1691 CD GLN A 112 -21.732 21.987 0.088 1.00 71.22 C ATOM 1692 OE1 GLN A 112 -22.491 21.534 0.945 1.00 3.11 O ATOM 1693 NE2 GLN A 112 -22.103 22.930 -0.771 1.00 35.13 N ATOM 0 H GLN A 112 -17.933 19.321 0.333 1.00 71.11 H new ATOM 0 HA GLN A 112 -20.314 19.701 1.846 1.00 74.51 H new ATOM 0 HB2 GLN A 112 -19.470 19.786 -1.032 1.00 74.22 H new ATOM 0 HB3 GLN A 112 -21.184 19.648 -0.698 1.00 74.22 H new ATOM 0 HG2 GLN A 112 -19.761 21.726 0.875 1.00 74.15 H new ATOM 0 HG3 GLN A 112 -19.812 22.007 -0.854 1.00 74.15 H new ATOM 0 HE21 GLN A 112 -21.441 23.277 -1.465 1.00 35.13 H new ATOM 0 HE22 GLN A 112 -23.050 23.308 -0.736 1.00 35.13 H new ATOM 1702 N MET A 113 -19.855 16.809 0.444 1.00 42.11 N ATOM 1703 CA MET A 113 -20.385 15.455 0.319 1.00 74.44 C ATOM 1704 C MET A 113 -20.160 14.664 1.604 1.00 11.23 C ATOM 1705 O MET A 113 -20.511 13.488 1.689 1.00 45.15 O ATOM 1706 CB MET A 113 -19.729 14.734 -0.860 1.00 51.22 C ATOM 1707 CG MET A 113 -20.387 15.032 -2.197 1.00 54.42 C ATOM 1708 SD MET A 113 -20.986 13.544 -3.022 1.00 62.10 S ATOM 1709 CE MET A 113 -19.453 12.870 -3.658 1.00 4.11 C ATOM 0 H MET A 113 -18.881 16.909 0.157 1.00 42.11 H new ATOM 0 HA MET A 113 -21.458 15.526 0.139 1.00 74.44 H new ATOM 0 HB2 MET A 113 -18.678 15.019 -0.910 1.00 51.22 H new ATOM 0 HB3 MET A 113 -19.760 13.659 -0.681 1.00 51.22 H new ATOM 0 HG2 MET A 113 -21.220 15.718 -2.043 1.00 54.42 H new ATOM 0 HG3 MET A 113 -19.672 15.539 -2.845 1.00 54.42 H new ATOM 0 HE1 MET A 113 -19.591 12.569 -4.696 1.00 4.11 H new ATOM 0 HE2 MET A 113 -18.671 13.627 -3.601 1.00 4.11 H new ATOM 0 HE3 MET A 113 -19.163 12.003 -3.064 1.00 4.11 H new ATOM 1719 N GLY A 114 -19.574 15.318 2.602 1.00 62.35 N ATOM 1720 CA GLY A 114 -19.312 14.659 3.869 1.00 44.13 C ATOM 1721 C GLY A 114 -18.152 13.686 3.788 1.00 24.21 C ATOM 1722 O GLY A 114 -18.041 12.771 4.604 1.00 33.15 O ATOM 0 H GLY A 114 -19.276 16.292 2.556 1.00 62.35 H new ATOM 0 HA2 GLY A 114 -19.099 15.411 4.629 1.00 44.13 H new ATOM 0 HA3 GLY A 114 -20.207 14.126 4.190 1.00 44.13 H new ATOM 1726 N LEU A 115 -17.285 13.883 2.800 1.00 31.42 N ATOM 1727 CA LEU A 115 -16.127 13.015 2.613 1.00 14.14 C ATOM 1728 C LEU A 115 -14.983 13.430 3.533 1.00 41.33 C ATOM 1729 O LEU A 115 -14.132 12.613 3.887 1.00 61.41 O ATOM 1730 CB LEU A 115 -15.666 13.053 1.156 1.00 61.44 C ATOM 1731 CG LEU A 115 -16.771 13.148 0.104 1.00 1.24 C ATOM 1732 CD1 LEU A 115 -16.186 13.052 -1.296 1.00 41.14 C ATOM 1733 CD2 LEU A 115 -17.812 12.059 0.324 1.00 75.44 C ATOM 0 H LEU A 115 -17.362 14.636 2.116 1.00 31.42 H new ATOM 0 HA LEU A 115 -16.422 11.997 2.866 1.00 14.14 H new ATOM 0 HB2 LEU A 115 -14.998 13.905 1.030 1.00 61.44 H new ATOM 0 HB3 LEU A 115 -15.080 12.156 0.958 1.00 61.44 H new ATOM 0 HG LEU A 115 -17.260 14.117 0.206 1.00 1.24 H new ATOM 0 HD11 LEU A 115 -16.988 13.122 -2.031 1.00 41.14 H new ATOM 0 HD12 LEU A 115 -15.479 13.867 -1.452 1.00 41.14 H new ATOM 0 HD13 LEU A 115 -15.671 12.098 -1.410 1.00 41.14 H new ATOM 0 HD21 LEU A 115 -18.591 12.142 -0.434 1.00 75.44 H new ATOM 0 HD22 LEU A 115 -17.337 11.081 0.250 1.00 75.44 H new ATOM 0 HD23 LEU A 115 -18.255 12.173 1.313 1.00 75.44 H new