USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 955 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 Single : A 1 MET CE :methyl -136:sc= -0.14 (180deg=-0.709) USER MOD Single : A 1 MET N :NH3+ 137:sc= -2.38! (180deg=-4.99!) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0424 USER MOD Single : A 14 SER OG : rot 180:sc= -0.087 USER MOD Single : A 29 THR OG1 : rot -160:sc= -0.857 USER MOD Single : A 30 CYS SG : rot 41:sc= -0.0634 USER MOD Single : A 31 THR OG1 : rot 126:sc= 1.53 USER MOD Single : A 32 THR OG1 : rot 12:sc= 0.405! USER MOD Single : A 35 ASN : amide:sc= -0.231 K(o=-0.23,f=-1.4!) USER MOD Single : A 37 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.742 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -119:sc= -2.63 (180deg=-7.61!) USER MOD Single : A 67 LYS NZ :NH3+ 156:sc= -0.012 (180deg=-0.0145) USER MOD Single : A 68 GLN :FLIP amide:sc= -4.39! C(o=-5!,f=-4.4!) USER MOD Single : A 70 LYS NZ :NH3+ -149:sc= -0.372 (180deg=-2.11!) USER MOD Single : A 71 GLN : amide:sc=-0.00237 X(o=-0.0024,f=0) USER MOD Single : A 73 HIS : no HE2:sc= -4.16! C(o=-4.2!,f=-4.6!) USER MOD Single : A 75 MET CE :methyl -160:sc= -0.153 (180deg=-1.28) USER MOD Single : A 81 MET CE :methyl -167:sc= -5.74! (180deg=-6.56) USER MOD Single : A 82 THR OG1 : rot 130:sc= -1.19 USER MOD Single : A 84 HIS :FLIP no HE2:sc= 0.031 F(o=-1.5,f=0.031) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 80:sc= -3.01! USER MOD Single : A 95 GLN : amide:sc=-0.00585 K(o=-0.0058,f=-1.9!) USER MOD Single : A 96 GLN : amide:sc= -0.0117 X(o=-0.012,f=-0.23) USER MOD Single : A 101 TYR OH : rot 90:sc= -0.951 USER MOD Single : A 104 LYS NZ :NH3+ 139:sc= 0.685 (180deg=-0.184) USER MOD Single : A 120 SER OG : rot 180:sc= -0.024 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 122 TYR OH : rot -71:sc= 0.642 USER MOD Single : A 123 GLN : amide:sc= 0.583 K(o=0.58,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.238 0.303 1.393 1.00 33.32 N ATOM 2 CA MET A 1 2.399 -0.101 0.270 1.00 4.41 C ATOM 3 C MET A 1 2.455 -1.611 0.065 1.00 35.25 C ATOM 4 O MET A 1 3.035 -2.335 0.874 1.00 1.42 O ATOM 5 CB MET A 1 2.842 0.615 -1.007 1.00 41.44 C ATOM 6 CG MET A 1 4.148 0.087 -1.579 1.00 10.34 C ATOM 7 SD MET A 1 4.777 1.104 -2.928 1.00 5.10 S ATOM 8 CE MET A 1 6.537 1.056 -2.596 1.00 11.12 C ATOM 0 H1 MET A 1 3.771 1.159 1.138 1.00 33.32 H new ATOM 0 H2 MET A 1 2.639 0.502 2.220 1.00 33.32 H new ATOM 0 H3 MET A 1 3.903 -0.463 1.623 1.00 33.32 H new ATOM 0 HA MET A 1 1.370 0.179 0.498 1.00 4.41 H new ATOM 0 HB2 MET A 1 2.059 0.516 -1.759 1.00 41.44 H new ATOM 0 HB3 MET A 1 2.951 1.679 -0.798 1.00 41.44 H new ATOM 0 HG2 MET A 1 4.895 0.040 -0.786 1.00 10.34 H new ATOM 0 HG3 MET A 1 3.998 -0.932 -1.937 1.00 10.34 H new ATOM 0 HE1 MET A 1 6.956 2.056 -2.708 1.00 11.12 H new ATOM 0 HE2 MET A 1 6.706 0.704 -1.578 1.00 11.12 H new ATOM 0 HE3 MET A 1 7.022 0.378 -3.299 1.00 11.12 H new ATOM 18 N GLN A 2 1.847 -2.079 -1.020 1.00 32.52 N ATOM 19 CA GLN A 2 1.827 -3.504 -1.329 1.00 33.43 C ATOM 20 C GLN A 2 2.981 -3.877 -2.253 1.00 23.33 C ATOM 21 O GLN A 2 2.785 -4.543 -3.269 1.00 61.53 O ATOM 22 CB GLN A 2 0.495 -3.889 -1.976 1.00 2.30 C ATOM 23 CG GLN A 2 0.146 -3.048 -3.193 1.00 75.35 C ATOM 24 CD GLN A 2 -1.039 -3.600 -3.963 1.00 5.11 C ATOM 25 OE1 GLN A 2 -1.621 -4.617 -3.584 1.00 44.30 O ATOM 26 NE2 GLN A 2 -1.402 -2.930 -5.051 1.00 20.35 N ATOM 0 H GLN A 2 1.362 -1.493 -1.699 1.00 32.52 H new ATOM 0 HA GLN A 2 1.941 -4.054 -0.395 1.00 33.43 H new ATOM 0 HB2 GLN A 2 0.532 -4.938 -2.268 1.00 2.30 H new ATOM 0 HB3 GLN A 2 -0.300 -3.792 -1.237 1.00 2.30 H new ATOM 0 HG2 GLN A 2 -0.075 -2.029 -2.875 1.00 75.35 H new ATOM 0 HG3 GLN A 2 1.011 -2.995 -3.854 1.00 75.35 H new ATOM 0 HE21 GLN A 2 -0.891 -2.092 -5.328 1.00 20.35 H new ATOM 0 HE22 GLN A 2 -2.192 -3.254 -5.609 1.00 20.35 H new ATOM 35 N ARG A 3 4.185 -3.443 -1.893 1.00 33.22 N ATOM 36 CA ARG A 3 5.371 -3.730 -2.691 1.00 34.42 C ATOM 37 C ARG A 3 5.823 -5.174 -2.492 1.00 61.02 C ATOM 38 O ARG A 3 6.628 -5.695 -3.263 1.00 51.33 O ATOM 39 CB ARG A 3 6.505 -2.773 -2.320 1.00 20.53 C ATOM 40 CG ARG A 3 7.315 -3.227 -1.116 1.00 11.31 C ATOM 41 CD ARG A 3 6.470 -3.248 0.148 1.00 74.30 C ATOM 42 NE ARG A 3 5.968 -1.921 0.494 1.00 44.10 N ATOM 43 CZ ARG A 3 6.715 -0.977 1.056 1.00 41.10 C ATOM 44 NH1 ARG A 3 7.990 -1.213 1.334 1.00 51.15 N ATOM 45 NH2 ARG A 3 6.187 0.207 1.341 1.00 32.51 N ATOM 0 H ARG A 3 4.365 -2.891 -1.054 1.00 33.22 H new ATOM 0 HA ARG A 3 5.115 -3.589 -3.741 1.00 34.42 H new ATOM 0 HB2 ARG A 3 7.172 -2.664 -3.176 1.00 20.53 H new ATOM 0 HB3 ARG A 3 6.086 -1.788 -2.115 1.00 20.53 H new ATOM 0 HG2 ARG A 3 7.718 -4.222 -1.302 1.00 11.31 H new ATOM 0 HG3 ARG A 3 8.165 -2.560 -0.976 1.00 11.31 H new ATOM 0 HD2 ARG A 3 5.630 -3.929 0.011 1.00 74.30 H new ATOM 0 HD3 ARG A 3 7.064 -3.637 0.975 1.00 74.30 H new ATOM 0 HE ARG A 3 4.991 -1.707 0.293 1.00 44.10 H new ATOM 0 HH11 ARG A 3 8.400 -2.121 1.116 1.00 51.15 H new ATOM 0 HH12 ARG A 3 8.561 -0.486 1.765 1.00 51.15 H new ATOM 0 HH21 ARG A 3 5.207 0.393 1.129 1.00 32.51 H new ATOM 0 HH22 ARG A 3 6.761 0.931 1.773 1.00 32.51 H new ATOM 59 N GLY A 4 5.300 -5.815 -1.452 1.00 33.25 N ATOM 60 CA GLY A 4 5.662 -7.192 -1.170 1.00 11.02 C ATOM 61 C GLY A 4 4.481 -8.018 -0.700 1.00 12.30 C ATOM 62 O GLY A 4 3.969 -7.810 0.400 1.00 34.35 O ATOM 0 H GLY A 4 4.632 -5.405 -0.799 1.00 33.25 H new ATOM 0 HA2 GLY A 4 6.084 -7.645 -2.068 1.00 11.02 H new ATOM 0 HA3 GLY A 4 6.441 -7.211 -0.408 1.00 11.02 H new ATOM 66 N ILE A 5 4.046 -8.955 -1.536 1.00 4.13 N ATOM 67 CA ILE A 5 2.918 -9.814 -1.199 1.00 52.15 C ATOM 68 C ILE A 5 3.350 -10.960 -0.291 1.00 45.14 C ATOM 69 O ILE A 5 4.396 -11.574 -0.504 1.00 2.11 O ATOM 70 CB ILE A 5 2.258 -10.396 -2.463 1.00 75.31 C ATOM 71 CG1 ILE A 5 1.655 -9.276 -3.313 1.00 44.41 C ATOM 72 CG2 ILE A 5 1.190 -11.412 -2.083 1.00 44.20 C ATOM 73 CD1 ILE A 5 1.276 -9.714 -4.710 1.00 61.13 C ATOM 0 H ILE A 5 4.458 -9.138 -2.451 1.00 4.13 H new ATOM 0 HA ILE A 5 2.194 -9.192 -0.673 1.00 52.15 H new ATOM 0 HB ILE A 5 3.022 -10.903 -3.052 1.00 75.31 H new ATOM 0 HG12 ILE A 5 0.770 -8.886 -2.811 1.00 44.41 H new ATOM 0 HG13 ILE A 5 2.370 -8.456 -3.380 1.00 44.41 H new ATOM 0 HG21 ILE A 5 0.733 -11.814 -2.987 1.00 44.20 H new ATOM 0 HG22 ILE A 5 1.645 -12.223 -1.515 1.00 44.20 H new ATOM 0 HG23 ILE A 5 0.426 -10.927 -1.475 1.00 44.20 H new ATOM 0 HD11 ILE A 5 0.855 -8.869 -5.255 1.00 61.13 H new ATOM 0 HD12 ILE A 5 2.162 -10.076 -5.231 1.00 61.13 H new ATOM 0 HD13 ILE A 5 0.537 -10.513 -4.653 1.00 61.13 H new ATOM 85 N VAL A 6 2.538 -11.245 0.721 1.00 12.54 N ATOM 86 CA VAL A 6 2.835 -12.319 1.661 1.00 74.21 C ATOM 87 C VAL A 6 1.750 -13.390 1.632 1.00 54.22 C ATOM 88 O VAL A 6 0.589 -13.120 1.942 1.00 62.31 O ATOM 89 CB VAL A 6 2.975 -11.785 3.099 1.00 52.13 C ATOM 90 CG1 VAL A 6 3.603 -12.837 4.001 1.00 54.44 C ATOM 91 CG2 VAL A 6 3.792 -10.502 3.113 1.00 62.14 C ATOM 0 H VAL A 6 1.669 -10.747 0.911 1.00 12.54 H new ATOM 0 HA VAL A 6 3.783 -12.757 1.351 1.00 74.21 H new ATOM 0 HB VAL A 6 1.980 -11.560 3.483 1.00 52.13 H new ATOM 0 HG11 VAL A 6 3.694 -12.442 5.013 1.00 54.44 H new ATOM 0 HG12 VAL A 6 2.974 -13.727 4.014 1.00 54.44 H new ATOM 0 HG13 VAL A 6 4.592 -13.097 3.623 1.00 54.44 H new ATOM 0 HG21 VAL A 6 3.881 -10.138 4.137 1.00 62.14 H new ATOM 0 HG22 VAL A 6 4.786 -10.699 2.710 1.00 62.14 H new ATOM 0 HG23 VAL A 6 3.296 -9.748 2.502 1.00 62.14 H new ATOM 101 N TRP A 7 2.135 -14.604 1.258 1.00 60.41 N ATOM 102 CA TRP A 7 1.194 -15.717 1.189 1.00 65.02 C ATOM 103 C TRP A 7 1.363 -16.648 2.385 1.00 44.34 C ATOM 104 O TRP A 7 2.441 -16.728 2.974 1.00 43.21 O ATOM 105 CB TRP A 7 1.390 -16.497 -0.112 1.00 65.21 C ATOM 106 CG TRP A 7 0.932 -15.750 -1.328 1.00 4.22 C ATOM 107 CD1 TRP A 7 0.318 -14.531 -1.357 1.00 51.50 C ATOM 108 CD2 TRP A 7 1.051 -16.174 -2.690 1.00 31.30 C ATOM 109 NE1 TRP A 7 0.047 -14.172 -2.655 1.00 42.55 N ATOM 110 CE2 TRP A 7 0.488 -15.162 -3.492 1.00 72.52 C ATOM 111 CE3 TRP A 7 1.580 -17.309 -3.310 1.00 74.43 C ATOM 112 CZ2 TRP A 7 0.439 -15.255 -4.881 1.00 14.35 C ATOM 113 CZ3 TRP A 7 1.530 -17.400 -4.688 1.00 53.53 C ATOM 114 CH2 TRP A 7 0.963 -16.377 -5.461 1.00 64.13 C ATOM 0 H TRP A 7 3.092 -14.844 0.998 1.00 60.41 H new ATOM 0 HA TRP A 7 0.184 -15.308 1.211 1.00 65.02 H new ATOM 0 HB2 TRP A 7 2.446 -16.745 -0.223 1.00 65.21 H new ATOM 0 HB3 TRP A 7 0.846 -17.440 -0.047 1.00 65.21 H new ATOM 0 HD1 TRP A 7 0.080 -13.936 -0.487 1.00 51.50 H new ATOM 0 HE1 TRP A 7 -0.409 -13.308 -2.948 1.00 42.55 H new ATOM 0 HE3 TRP A 7 2.020 -18.101 -2.723 1.00 74.43 H new ATOM 0 HZ2 TRP A 7 0.002 -14.469 -5.479 1.00 14.35 H new ATOM 0 HZ3 TRP A 7 1.934 -18.274 -5.178 1.00 53.53 H new ATOM 0 HH2 TRP A 7 0.940 -16.477 -6.536 1.00 64.13 H new ATOM 125 N VAL A 8 0.292 -17.350 2.738 1.00 32.34 N ATOM 126 CA VAL A 8 0.322 -18.277 3.864 1.00 45.13 C ATOM 127 C VAL A 8 -0.413 -19.570 3.531 1.00 71.11 C ATOM 128 O VAL A 8 -1.415 -19.561 2.815 1.00 4.21 O ATOM 129 CB VAL A 8 -0.306 -17.651 5.123 1.00 22.31 C ATOM 130 CG1 VAL A 8 -0.357 -18.666 6.255 1.00 62.10 C ATOM 131 CG2 VAL A 8 0.467 -16.410 5.543 1.00 21.22 C ATOM 0 H VAL A 8 -0.608 -17.295 2.261 1.00 32.34 H new ATOM 0 HA VAL A 8 1.370 -18.500 4.063 1.00 45.13 H new ATOM 0 HB VAL A 8 -1.328 -17.352 4.888 1.00 22.31 H new ATOM 0 HG11 VAL A 8 -0.804 -18.206 7.136 1.00 62.10 H new ATOM 0 HG12 VAL A 8 -0.958 -19.523 5.949 1.00 62.10 H new ATOM 0 HG13 VAL A 8 0.654 -18.998 6.492 1.00 62.10 H new ATOM 0 HG21 VAL A 8 0.009 -15.981 6.434 1.00 21.22 H new ATOM 0 HG22 VAL A 8 1.500 -16.681 5.760 1.00 21.22 H new ATOM 0 HG23 VAL A 8 0.446 -15.678 4.736 1.00 21.22 H new ATOM 141 N VAL A 9 0.090 -20.683 4.056 1.00 44.32 N ATOM 142 CA VAL A 9 -0.520 -21.985 3.816 1.00 24.12 C ATOM 143 C VAL A 9 -0.455 -22.860 5.063 1.00 31.00 C ATOM 144 O VAL A 9 0.607 -23.028 5.662 1.00 44.41 O ATOM 145 CB VAL A 9 0.167 -22.721 2.650 1.00 3.32 C ATOM 146 CG1 VAL A 9 1.586 -23.116 3.030 1.00 61.01 C ATOM 147 CG2 VAL A 9 -0.643 -23.941 2.239 1.00 10.32 C ATOM 0 H VAL A 9 0.919 -20.709 4.650 1.00 44.32 H new ATOM 0 HA VAL A 9 -1.563 -21.803 3.557 1.00 24.12 H new ATOM 0 HB VAL A 9 0.220 -22.045 1.797 1.00 3.32 H new ATOM 0 HG11 VAL A 9 2.055 -23.635 2.194 1.00 61.01 H new ATOM 0 HG12 VAL A 9 2.161 -22.222 3.271 1.00 61.01 H new ATOM 0 HG13 VAL A 9 1.560 -23.775 3.898 1.00 61.01 H new ATOM 0 HG21 VAL A 9 -0.143 -24.449 1.414 1.00 10.32 H new ATOM 0 HG22 VAL A 9 -0.730 -24.622 3.085 1.00 10.32 H new ATOM 0 HG23 VAL A 9 -1.638 -23.627 1.922 1.00 10.32 H new ATOM 157 N ASP A 10 -1.598 -23.416 5.449 1.00 53.05 N ATOM 158 CA ASP A 10 -1.672 -24.276 6.624 1.00 11.10 C ATOM 159 C ASP A 10 -2.850 -25.239 6.519 1.00 32.43 C ATOM 160 O ASP A 10 -3.451 -25.388 5.455 1.00 41.20 O ATOM 161 CB ASP A 10 -1.799 -23.431 7.893 1.00 71.51 C ATOM 162 CG ASP A 10 -3.154 -22.761 8.009 1.00 42.33 C ATOM 163 OD1 ASP A 10 -3.829 -22.604 6.970 1.00 64.21 O ATOM 164 OD2 ASP A 10 -3.539 -22.391 9.138 1.00 23.31 O ATOM 0 H ASP A 10 -2.486 -23.286 4.965 1.00 53.05 H new ATOM 0 HA ASP A 10 -0.753 -24.860 6.676 1.00 11.10 H new ATOM 0 HB2 ASP A 10 -1.634 -24.063 8.765 1.00 71.51 H new ATOM 0 HB3 ASP A 10 -1.019 -22.670 7.899 1.00 71.51 H new ATOM 169 N ASP A 11 -3.174 -25.892 7.630 1.00 71.41 N ATOM 170 CA ASP A 11 -4.280 -26.842 7.663 1.00 33.14 C ATOM 171 C ASP A 11 -5.276 -26.478 8.760 1.00 21.25 C ATOM 172 O ASP A 11 -6.297 -27.145 8.932 1.00 43.30 O ATOM 173 CB ASP A 11 -3.755 -28.262 7.884 1.00 13.42 C ATOM 174 CG ASP A 11 -4.375 -29.263 6.929 1.00 4.01 C ATOM 175 OD1 ASP A 11 -4.152 -29.134 5.707 1.00 65.01 O ATOM 176 OD2 ASP A 11 -5.081 -30.176 7.404 1.00 75.22 O ATOM 0 H ASP A 11 -2.687 -25.781 8.519 1.00 71.41 H new ATOM 0 HA ASP A 11 -4.793 -26.798 6.702 1.00 33.14 H new ATOM 0 HB2 ASP A 11 -2.672 -28.269 7.761 1.00 13.42 H new ATOM 0 HB3 ASP A 11 -3.961 -28.567 8.910 1.00 13.42 H new ATOM 181 N ASP A 12 -4.971 -25.418 9.501 1.00 71.22 N ATOM 182 CA ASP A 12 -5.839 -24.965 10.582 1.00 60.43 C ATOM 183 C ASP A 12 -6.552 -23.672 10.201 1.00 50.25 C ATOM 184 O ASP A 12 -6.071 -22.910 9.362 1.00 4.11 O ATOM 185 CB ASP A 12 -5.029 -24.757 11.862 1.00 25.50 C ATOM 186 CG ASP A 12 -5.191 -25.903 12.842 1.00 3.53 C ATOM 187 OD1 ASP A 12 -6.334 -26.370 13.025 1.00 15.03 O ATOM 188 OD2 ASP A 12 -4.174 -26.332 13.426 1.00 42.11 O ATOM 0 H ASP A 12 -4.129 -24.856 9.373 1.00 71.22 H new ATOM 0 HA ASP A 12 -6.590 -25.735 10.758 1.00 60.43 H new ATOM 0 HB2 ASP A 12 -3.975 -24.646 11.608 1.00 25.50 H new ATOM 0 HB3 ASP A 12 -5.341 -23.828 12.339 1.00 25.50 H new ATOM 193 N SER A 13 -7.702 -23.431 10.821 1.00 35.13 N ATOM 194 CA SER A 13 -8.485 -22.232 10.544 1.00 64.25 C ATOM 195 C SER A 13 -7.880 -21.016 11.238 1.00 44.11 C ATOM 196 O SER A 13 -7.633 -19.987 10.609 1.00 54.21 O ATOM 197 CB SER A 13 -9.933 -22.425 10.998 1.00 25.54 C ATOM 198 OG SER A 13 -10.353 -21.357 11.828 1.00 55.50 O ATOM 0 H SER A 13 -8.113 -24.051 11.519 1.00 35.13 H new ATOM 0 HA SER A 13 -8.470 -22.060 9.468 1.00 64.25 H new ATOM 0 HB2 SER A 13 -10.585 -22.491 10.127 1.00 25.54 H new ATOM 0 HB3 SER A 13 -10.026 -23.367 11.538 1.00 25.54 H new ATOM 0 HG SER A 13 -11.282 -21.503 12.104 1.00 55.50 H new ATOM 204 N SER A 14 -7.643 -21.143 12.540 1.00 44.53 N ATOM 205 CA SER A 14 -7.070 -20.053 13.322 1.00 60.31 C ATOM 206 C SER A 14 -5.612 -19.818 12.940 1.00 62.03 C ATOM 207 O SER A 14 -5.171 -18.676 12.804 1.00 21.30 O ATOM 208 CB SER A 14 -7.174 -20.361 14.817 1.00 62.31 C ATOM 209 OG SER A 14 -5.953 -20.879 15.317 1.00 71.22 O ATOM 0 H SER A 14 -7.839 -21.989 13.075 1.00 44.53 H new ATOM 0 HA SER A 14 -7.635 -19.146 13.104 1.00 60.31 H new ATOM 0 HB2 SER A 14 -7.438 -19.454 15.361 1.00 62.31 H new ATOM 0 HB3 SER A 14 -7.975 -21.080 14.989 1.00 62.31 H new ATOM 0 HG SER A 14 -6.045 -21.066 16.275 1.00 71.22 H new ATOM 215 N ILE A 15 -4.869 -20.906 12.768 1.00 60.23 N ATOM 216 CA ILE A 15 -3.461 -20.819 12.400 1.00 32.21 C ATOM 217 C ILE A 15 -3.262 -19.898 11.202 1.00 42.34 C ATOM 218 O ILE A 15 -2.303 -19.127 11.151 1.00 61.32 O ATOM 219 CB ILE A 15 -2.879 -22.206 12.069 1.00 20.24 C ATOM 220 CG1 ILE A 15 -2.784 -23.059 13.336 1.00 14.03 C ATOM 221 CG2 ILE A 15 -1.512 -22.065 11.416 1.00 12.23 C ATOM 222 CD1 ILE A 15 -1.921 -22.444 14.415 1.00 24.43 C ATOM 0 H ILE A 15 -5.218 -21.858 12.878 1.00 60.23 H new ATOM 0 HA ILE A 15 -2.934 -20.409 13.262 1.00 32.21 H new ATOM 0 HB ILE A 15 -3.546 -22.705 11.366 1.00 20.24 H new ATOM 0 HG12 ILE A 15 -3.787 -23.220 13.732 1.00 14.03 H new ATOM 0 HG13 ILE A 15 -2.383 -24.039 13.076 1.00 14.03 H new ATOM 0 HG21 ILE A 15 -1.114 -23.054 11.188 1.00 12.23 H new ATOM 0 HG22 ILE A 15 -1.606 -21.491 10.494 1.00 12.23 H new ATOM 0 HG23 ILE A 15 -0.835 -21.549 12.097 1.00 12.23 H new ATOM 0 HD11 ILE A 15 -1.899 -23.103 15.283 1.00 24.43 H new ATOM 0 HD12 ILE A 15 -0.908 -22.308 14.037 1.00 24.43 H new ATOM 0 HD13 ILE A 15 -2.333 -21.477 14.704 1.00 24.43 H new ATOM 234 N ARG A 16 -4.175 -19.981 10.240 1.00 60.24 N ATOM 235 CA ARG A 16 -4.100 -19.154 9.041 1.00 30.33 C ATOM 236 C ARG A 16 -4.669 -17.763 9.304 1.00 21.03 C ATOM 237 O ARG A 16 -4.329 -16.802 8.614 1.00 22.12 O ATOM 238 CB ARG A 16 -4.858 -19.818 7.890 1.00 50.41 C ATOM 239 CG ARG A 16 -6.295 -19.341 7.752 1.00 22.11 C ATOM 240 CD ARG A 16 -7.174 -20.401 7.106 1.00 4.13 C ATOM 241 NE ARG A 16 -8.359 -19.822 6.480 1.00 41.41 N ATOM 242 CZ ARG A 16 -9.343 -20.546 5.958 1.00 3.12 C ATOM 243 NH1 ARG A 16 -9.283 -21.870 5.988 1.00 32.11 N ATOM 244 NH2 ARG A 16 -10.389 -19.946 5.405 1.00 10.45 N ATOM 0 H ARG A 16 -4.976 -20.613 10.267 1.00 60.24 H new ATOM 0 HA ARG A 16 -3.051 -19.052 8.765 1.00 30.33 H new ATOM 0 HB2 ARG A 16 -4.328 -19.624 6.957 1.00 50.41 H new ATOM 0 HB3 ARG A 16 -4.855 -20.898 8.039 1.00 50.41 H new ATOM 0 HG2 ARG A 16 -6.691 -19.088 8.735 1.00 22.11 H new ATOM 0 HG3 ARG A 16 -6.321 -18.430 7.153 1.00 22.11 H new ATOM 0 HD2 ARG A 16 -6.597 -20.943 6.357 1.00 4.13 H new ATOM 0 HD3 ARG A 16 -7.480 -21.127 7.860 1.00 4.13 H new ATOM 0 HE ARG A 16 -8.436 -18.806 6.441 1.00 41.41 H new ATOM 0 HH11 ARG A 16 -8.480 -22.335 6.412 1.00 32.11 H new ATOM 0 HH12 ARG A 16 -10.040 -22.424 5.587 1.00 32.11 H new ATOM 0 HH21 ARG A 16 -10.438 -18.928 5.380 1.00 10.45 H new ATOM 0 HH22 ARG A 16 -11.144 -20.503 5.005 1.00 10.45 H new ATOM 258 N TRP A 17 -5.536 -17.664 10.305 1.00 31.02 N ATOM 259 CA TRP A 17 -6.153 -16.390 10.659 1.00 63.42 C ATOM 260 C TRP A 17 -5.137 -15.455 11.306 1.00 73.10 C ATOM 261 O TRP A 17 -4.997 -14.300 10.903 1.00 73.31 O ATOM 262 CB TRP A 17 -7.332 -16.617 11.606 1.00 11.21 C ATOM 263 CG TRP A 17 -7.746 -15.381 12.345 1.00 12.53 C ATOM 264 CD1 TRP A 17 -8.628 -14.428 11.920 1.00 4.01 C ATOM 265 CD2 TRP A 17 -7.294 -14.963 13.638 1.00 44.12 C ATOM 266 NE1 TRP A 17 -8.750 -13.443 12.871 1.00 73.34 N ATOM 267 CE2 TRP A 17 -7.943 -13.749 13.934 1.00 0.53 C ATOM 268 CE3 TRP A 17 -6.405 -15.498 14.574 1.00 10.55 C ATOM 269 CZ2 TRP A 17 -7.729 -13.062 15.127 1.00 72.24 C ATOM 270 CZ3 TRP A 17 -6.194 -14.815 15.757 1.00 3.03 C ATOM 271 CH2 TRP A 17 -6.854 -13.608 16.026 1.00 61.55 C ATOM 0 H TRP A 17 -5.828 -18.450 10.886 1.00 31.02 H new ATOM 0 HA TRP A 17 -6.517 -15.923 9.744 1.00 63.42 H new ATOM 0 HB2 TRP A 17 -8.181 -16.992 11.034 1.00 11.21 H new ATOM 0 HB3 TRP A 17 -7.067 -17.391 12.326 1.00 11.21 H new ATOM 0 HD1 TRP A 17 -9.152 -14.446 10.976 1.00 4.01 H new ATOM 0 HE1 TRP A 17 -9.345 -12.618 12.797 1.00 73.34 H new ATOM 0 HE3 TRP A 17 -5.892 -16.428 14.377 1.00 10.55 H new ATOM 0 HZ2 TRP A 17 -8.236 -12.131 15.335 1.00 72.24 H new ATOM 0 HZ3 TRP A 17 -5.508 -15.219 16.487 1.00 3.03 H new ATOM 0 HH2 TRP A 17 -6.668 -13.099 16.961 1.00 61.55 H new ATOM 282 N VAL A 18 -4.430 -15.961 12.312 1.00 51.34 N ATOM 283 CA VAL A 18 -3.426 -15.170 13.014 1.00 71.24 C ATOM 284 C VAL A 18 -2.500 -14.461 12.032 1.00 61.20 C ATOM 285 O VAL A 18 -2.029 -13.354 12.295 1.00 53.44 O ATOM 286 CB VAL A 18 -2.582 -16.046 13.958 1.00 23.21 C ATOM 287 CG1 VAL A 18 -3.477 -16.802 14.929 1.00 44.53 C ATOM 288 CG2 VAL A 18 -1.716 -17.009 13.159 1.00 3.53 C ATOM 0 H VAL A 18 -4.534 -16.915 12.659 1.00 51.34 H new ATOM 0 HA VAL A 18 -3.963 -14.427 13.603 1.00 71.24 H new ATOM 0 HB VAL A 18 -1.925 -15.397 14.537 1.00 23.21 H new ATOM 0 HG11 VAL A 18 -2.863 -17.416 15.588 1.00 44.53 H new ATOM 0 HG12 VAL A 18 -4.050 -16.091 15.525 1.00 44.53 H new ATOM 0 HG13 VAL A 18 -4.161 -17.442 14.371 1.00 44.53 H new ATOM 0 HG21 VAL A 18 -1.126 -17.620 13.842 1.00 3.53 H new ATOM 0 HG22 VAL A 18 -2.353 -17.654 12.553 1.00 3.53 H new ATOM 0 HG23 VAL A 18 -1.048 -16.444 12.509 1.00 3.53 H new ATOM 298 N LEU A 19 -2.242 -15.106 10.900 1.00 60.14 N ATOM 299 CA LEU A 19 -1.372 -14.537 9.876 1.00 24.23 C ATOM 300 C LEU A 19 -2.151 -13.603 8.957 1.00 40.34 C ATOM 301 O LEU A 19 -1.614 -12.611 8.464 1.00 24.34 O ATOM 302 CB LEU A 19 -0.720 -15.652 9.056 1.00 3.22 C ATOM 303 CG LEU A 19 0.567 -16.245 9.632 1.00 14.34 C ATOM 304 CD1 LEU A 19 0.887 -17.573 8.966 1.00 63.42 C ATOM 305 CD2 LEU A 19 1.724 -15.270 9.468 1.00 74.13 C ATOM 0 H LEU A 19 -2.623 -16.023 10.668 1.00 60.14 H new ATOM 0 HA LEU A 19 -0.594 -13.959 10.375 1.00 24.23 H new ATOM 0 HB2 LEU A 19 -1.445 -16.457 8.934 1.00 3.22 H new ATOM 0 HB3 LEU A 19 -0.504 -15.264 8.060 1.00 3.22 H new ATOM 0 HG LEU A 19 0.418 -16.423 10.697 1.00 14.34 H new ATOM 0 HD11 LEU A 19 1.806 -17.980 9.388 1.00 63.42 H new ATOM 0 HD12 LEU A 19 0.068 -18.272 9.137 1.00 63.42 H new ATOM 0 HD13 LEU A 19 1.017 -17.421 7.895 1.00 63.42 H new ATOM 0 HD21 LEU A 19 2.631 -15.709 9.883 1.00 74.13 H new ATOM 0 HD22 LEU A 19 1.875 -15.059 8.409 1.00 74.13 H new ATOM 0 HD23 LEU A 19 1.496 -14.343 9.994 1.00 74.13 H new ATOM 317 N GLU A 20 -3.421 -13.926 8.731 1.00 2.44 N ATOM 318 CA GLU A 20 -4.274 -13.113 7.872 1.00 61.51 C ATOM 319 C GLU A 20 -4.578 -11.767 8.523 1.00 72.32 C ATOM 320 O GLU A 20 -4.421 -10.716 7.902 1.00 53.03 O ATOM 321 CB GLU A 20 -5.579 -13.852 7.567 1.00 11.41 C ATOM 322 CG GLU A 20 -5.971 -13.815 6.100 1.00 40.44 C ATOM 323 CD GLU A 20 -7.286 -14.519 5.829 1.00 14.30 C ATOM 324 OE1 GLU A 20 -7.743 -15.279 6.708 1.00 34.02 O ATOM 325 OE2 GLU A 20 -7.859 -14.310 4.739 1.00 4.10 O ATOM 0 H GLU A 20 -3.881 -14.744 9.130 1.00 2.44 H new ATOM 0 HA GLU A 20 -3.740 -12.932 6.939 1.00 61.51 H new ATOM 0 HB2 GLU A 20 -5.480 -14.891 7.882 1.00 11.41 H new ATOM 0 HB3 GLU A 20 -6.382 -13.414 8.160 1.00 11.41 H new ATOM 0 HG2 GLU A 20 -6.045 -12.778 5.774 1.00 40.44 H new ATOM 0 HG3 GLU A 20 -5.185 -14.281 5.506 1.00 40.44 H new ATOM 332 N ARG A 21 -5.015 -11.809 9.777 1.00 3.44 N ATOM 333 CA ARG A 21 -5.343 -10.593 10.513 1.00 61.15 C ATOM 334 C ARG A 21 -4.150 -9.643 10.552 1.00 2.22 C ATOM 335 O ARG A 21 -4.312 -8.434 10.717 1.00 44.05 O ATOM 336 CB ARG A 21 -5.783 -10.936 11.937 1.00 61.21 C ATOM 337 CG ARG A 21 -4.685 -11.567 12.778 1.00 12.32 C ATOM 338 CD ARG A 21 -5.016 -11.506 14.261 1.00 22.53 C ATOM 339 NE ARG A 21 -4.182 -10.538 14.969 1.00 34.40 N ATOM 340 CZ ARG A 21 -4.486 -10.041 16.163 1.00 61.21 C ATOM 341 NH1 ARG A 21 -5.597 -10.420 16.779 1.00 12.52 N ATOM 342 NH2 ARG A 21 -3.677 -9.164 16.743 1.00 63.11 N ATOM 0 H ARG A 21 -5.150 -12.671 10.305 1.00 3.44 H new ATOM 0 HA ARG A 21 -6.164 -10.096 9.997 1.00 61.15 H new ATOM 0 HB2 ARG A 21 -6.130 -10.028 12.430 1.00 61.21 H new ATOM 0 HB3 ARG A 21 -6.632 -11.618 11.892 1.00 61.21 H new ATOM 0 HG2 ARG A 21 -4.546 -12.605 12.477 1.00 12.32 H new ATOM 0 HG3 ARG A 21 -3.742 -11.053 12.593 1.00 12.32 H new ATOM 0 HD2 ARG A 21 -6.066 -11.241 14.387 1.00 22.53 H new ATOM 0 HD3 ARG A 21 -4.881 -12.493 14.703 1.00 22.53 H new ATOM 0 HE ARG A 21 -3.319 -10.227 14.522 1.00 34.40 H new ATOM 0 HH11 ARG A 21 -6.221 -11.095 16.336 1.00 12.52 H new ATOM 0 HH12 ARG A 21 -5.828 -10.037 17.696 1.00 12.52 H new ATOM 0 HH21 ARG A 21 -2.821 -8.871 16.272 1.00 63.11 H new ATOM 0 HH22 ARG A 21 -3.911 -8.783 17.660 1.00 63.11 H new ATOM 356 N ALA A 22 -2.952 -10.198 10.401 1.00 20.52 N ATOM 357 CA ALA A 22 -1.732 -9.401 10.418 1.00 12.23 C ATOM 358 C ALA A 22 -1.597 -8.577 9.142 1.00 63.51 C ATOM 359 O ALA A 22 -1.546 -7.348 9.187 1.00 41.54 O ATOM 360 CB ALA A 22 -0.517 -10.298 10.601 1.00 32.22 C ATOM 0 H ALA A 22 -2.800 -11.198 10.265 1.00 20.52 H new ATOM 0 HA ALA A 22 -1.790 -8.711 11.260 1.00 12.23 H new ATOM 0 HB1 ALA A 22 0.387 -9.689 10.612 1.00 32.22 H new ATOM 0 HB2 ALA A 22 -0.602 -10.838 11.544 1.00 32.22 H new ATOM 0 HB3 ALA A 22 -0.464 -11.011 9.778 1.00 32.22 H new ATOM 366 N LEU A 23 -1.538 -9.262 8.005 1.00 22.42 N ATOM 367 CA LEU A 23 -1.407 -8.594 6.715 1.00 33.11 C ATOM 368 C LEU A 23 -2.654 -7.775 6.398 1.00 52.14 C ATOM 369 O LEU A 23 -2.564 -6.670 5.863 1.00 23.22 O ATOM 370 CB LEU A 23 -1.163 -9.622 5.609 1.00 40.34 C ATOM 371 CG LEU A 23 -0.028 -10.616 5.855 1.00 43.12 C ATOM 372 CD1 LEU A 23 -0.129 -11.791 4.894 1.00 13.24 C ATOM 373 CD2 LEU A 23 1.323 -9.928 5.718 1.00 72.03 C ATOM 0 H LEU A 23 -1.579 -10.280 7.950 1.00 22.42 H new ATOM 0 HA LEU A 23 -0.554 -7.918 6.768 1.00 33.11 H new ATOM 0 HB2 LEU A 23 -2.084 -10.184 5.453 1.00 40.34 H new ATOM 0 HB3 LEU A 23 -0.956 -9.087 4.682 1.00 40.34 H new ATOM 0 HG LEU A 23 -0.119 -10.996 6.872 1.00 43.12 H new ATOM 0 HD11 LEU A 23 0.687 -12.488 5.084 1.00 13.24 H new ATOM 0 HD12 LEU A 23 -1.082 -12.300 5.040 1.00 13.24 H new ATOM 0 HD13 LEU A 23 -0.065 -11.428 3.868 1.00 13.24 H new ATOM 0 HD21 LEU A 23 2.119 -10.651 5.896 1.00 72.03 H new ATOM 0 HD22 LEU A 23 1.423 -9.519 4.713 1.00 72.03 H new ATOM 0 HD23 LEU A 23 1.396 -9.121 6.447 1.00 72.03 H new ATOM 385 N ALA A 24 -3.817 -8.324 6.732 1.00 15.55 N ATOM 386 CA ALA A 24 -5.082 -7.642 6.487 1.00 13.01 C ATOM 387 C ALA A 24 -5.054 -6.219 7.035 1.00 75.12 C ATOM 388 O ALA A 24 -5.673 -5.315 6.474 1.00 30.52 O ATOM 389 CB ALA A 24 -6.232 -8.425 7.104 1.00 0.31 C ATOM 0 H ALA A 24 -3.910 -9.239 7.173 1.00 15.55 H new ATOM 0 HA ALA A 24 -5.233 -7.585 5.409 1.00 13.01 H new ATOM 0 HB1 ALA A 24 -7.170 -7.904 6.913 1.00 0.31 H new ATOM 0 HB2 ALA A 24 -6.273 -9.420 6.662 1.00 0.31 H new ATOM 0 HB3 ALA A 24 -6.077 -8.512 8.179 1.00 0.31 H new ATOM 395 N GLY A 25 -4.333 -6.027 8.135 1.00 21.21 N ATOM 396 CA GLY A 25 -4.239 -4.712 8.741 1.00 50.34 C ATOM 397 C GLY A 25 -3.136 -3.870 8.130 1.00 10.13 C ATOM 398 O GLY A 25 -3.167 -2.642 8.210 1.00 61.34 O ATOM 0 H GLY A 25 -3.812 -6.759 8.618 1.00 21.21 H new ATOM 0 HA2 GLY A 25 -5.192 -4.194 8.629 1.00 50.34 H new ATOM 0 HA3 GLY A 25 -4.059 -4.820 9.811 1.00 50.34 H new ATOM 402 N ALA A 26 -2.158 -4.531 7.521 1.00 65.32 N ATOM 403 CA ALA A 26 -1.040 -3.836 6.894 1.00 11.25 C ATOM 404 C ALA A 26 -1.305 -3.594 5.412 1.00 31.24 C ATOM 405 O ALA A 26 -2.340 -3.997 4.883 1.00 61.20 O ATOM 406 CB ALA A 26 0.246 -4.628 7.080 1.00 14.05 C ATOM 0 H ALA A 26 -2.117 -5.548 7.448 1.00 65.32 H new ATOM 0 HA ALA A 26 -0.930 -2.866 7.379 1.00 11.25 H new ATOM 0 HB1 ALA A 26 1.072 -4.097 6.607 1.00 14.05 H new ATOM 0 HB2 ALA A 26 0.451 -4.744 8.144 1.00 14.05 H new ATOM 0 HB3 ALA A 26 0.137 -5.611 6.622 1.00 14.05 H new ATOM 412 N GLY A 27 -0.363 -2.932 4.747 1.00 23.44 N ATOM 413 CA GLY A 27 -0.514 -2.648 3.332 1.00 13.25 C ATOM 414 C GLY A 27 0.078 -3.733 2.456 1.00 61.40 C ATOM 415 O GLY A 27 0.736 -3.444 1.456 1.00 63.02 O ATOM 0 H GLY A 27 0.502 -2.587 5.163 1.00 23.44 H new ATOM 0 HA2 GLY A 27 -1.573 -2.534 3.099 1.00 13.25 H new ATOM 0 HA3 GLY A 27 -0.033 -1.697 3.102 1.00 13.25 H new ATOM 419 N LEU A 28 -0.153 -4.986 2.831 1.00 34.43 N ATOM 420 CA LEU A 28 0.364 -6.120 2.073 1.00 73.22 C ATOM 421 C LEU A 28 -0.734 -7.147 1.812 1.00 42.12 C ATOM 422 O LEU A 28 -1.522 -7.470 2.701 1.00 22.04 O ATOM 423 CB LEU A 28 1.523 -6.776 2.825 1.00 30.10 C ATOM 424 CG LEU A 28 2.151 -5.947 3.946 1.00 51.44 C ATOM 425 CD1 LEU A 28 3.121 -6.792 4.756 1.00 45.22 C ATOM 426 CD2 LEU A 28 2.854 -4.724 3.374 1.00 11.12 C ATOM 0 H LEU A 28 -0.695 -5.243 3.656 1.00 34.43 H new ATOM 0 HA LEU A 28 0.725 -5.749 1.114 1.00 73.22 H new ATOM 0 HB2 LEU A 28 1.169 -7.715 3.250 1.00 30.10 H new ATOM 0 HB3 LEU A 28 2.302 -7.026 2.105 1.00 30.10 H new ATOM 0 HG LEU A 28 1.356 -5.607 4.610 1.00 51.44 H new ATOM 0 HD11 LEU A 28 3.558 -6.185 5.549 1.00 45.22 H new ATOM 0 HD12 LEU A 28 2.589 -7.635 5.196 1.00 45.22 H new ATOM 0 HD13 LEU A 28 3.913 -7.162 4.105 1.00 45.22 H new ATOM 0 HD21 LEU A 28 3.295 -4.145 4.185 1.00 11.12 H new ATOM 0 HD22 LEU A 28 3.638 -5.043 2.688 1.00 11.12 H new ATOM 0 HD23 LEU A 28 2.132 -4.107 2.839 1.00 11.12 H new ATOM 438 N THR A 29 -0.779 -7.659 0.586 1.00 42.13 N ATOM 439 CA THR A 29 -1.778 -8.650 0.207 1.00 13.34 C ATOM 440 C THR A 29 -1.793 -9.818 1.187 1.00 42.22 C ATOM 441 O THR A 29 -0.819 -10.051 1.904 1.00 11.32 O ATOM 442 CB THR A 29 -1.525 -9.189 -1.213 1.00 54.22 C ATOM 443 OG1 THR A 29 -1.228 -8.106 -2.102 1.00 74.33 O ATOM 444 CG2 THR A 29 -2.736 -9.954 -1.725 1.00 73.40 C ATOM 0 H THR A 29 -0.134 -7.403 -0.162 1.00 42.13 H new ATOM 0 HA THR A 29 -2.745 -8.148 0.229 1.00 13.34 H new ATOM 0 HB THR A 29 -0.675 -9.870 -1.173 1.00 54.22 H new ATOM 0 HG1 THR A 29 -1.380 -8.391 -3.027 1.00 74.33 H new ATOM 0 HG21 THR A 29 -2.534 -10.325 -2.730 1.00 73.40 H new ATOM 0 HG22 THR A 29 -2.942 -10.794 -1.062 1.00 73.40 H new ATOM 0 HG23 THR A 29 -3.601 -9.291 -1.750 1.00 73.40 H new ATOM 452 N CYS A 30 -2.901 -10.549 1.211 1.00 32.33 N ATOM 453 CA CYS A 30 -3.042 -11.694 2.104 1.00 61.53 C ATOM 454 C CYS A 30 -3.708 -12.864 1.387 1.00 54.04 C ATOM 455 O CYS A 30 -4.883 -12.795 1.021 1.00 25.52 O ATOM 456 CB CYS A 30 -3.856 -11.307 3.339 1.00 22.54 C ATOM 457 SG CYS A 30 -5.402 -10.448 2.965 1.00 32.44 S ATOM 0 H CYS A 30 -3.715 -10.370 0.623 1.00 32.33 H new ATOM 0 HA CYS A 30 -2.045 -12.004 2.418 1.00 61.53 H new ATOM 0 HB2 CYS A 30 -4.082 -12.208 3.909 1.00 22.54 H new ATOM 0 HB3 CYS A 30 -3.245 -10.670 3.979 1.00 22.54 H new ATOM 0 HG CYS A 30 -5.973 -11.009 1.941 1.00 32.44 H new ATOM 463 N THR A 31 -2.951 -13.938 1.186 1.00 2.01 N ATOM 464 CA THR A 31 -3.466 -15.122 0.510 1.00 15.40 C ATOM 465 C THR A 31 -3.256 -16.373 1.355 1.00 44.12 C ATOM 466 O THR A 31 -2.124 -16.813 1.561 1.00 41.05 O ATOM 467 CB THR A 31 -2.795 -15.323 -0.861 1.00 43.34 C ATOM 468 OG1 THR A 31 -2.708 -14.072 -1.552 1.00 43.55 O ATOM 469 CG2 THR A 31 -3.574 -16.320 -1.705 1.00 31.43 C ATOM 0 H THR A 31 -1.978 -14.012 1.482 1.00 2.01 H new ATOM 0 HA THR A 31 -4.534 -14.962 0.363 1.00 15.40 H new ATOM 0 HB THR A 31 -1.792 -15.717 -0.695 1.00 43.34 H new ATOM 0 HG1 THR A 31 -1.780 -13.911 -1.821 1.00 43.55 H new ATOM 0 HG21 THR A 31 -3.080 -16.445 -2.669 1.00 31.43 H new ATOM 0 HG22 THR A 31 -3.613 -17.280 -1.190 1.00 31.43 H new ATOM 0 HG23 THR A 31 -4.587 -15.950 -1.862 1.00 31.43 H new ATOM 477 N THR A 32 -4.353 -16.944 1.843 1.00 63.05 N ATOM 478 CA THR A 32 -4.288 -18.145 2.666 1.00 42.04 C ATOM 479 C THR A 32 -4.700 -19.379 1.871 1.00 1.11 C ATOM 480 O THR A 32 -5.759 -19.400 1.243 1.00 65.21 O ATOM 481 CB THR A 32 -5.190 -18.024 3.908 1.00 3.34 C ATOM 482 OG1 THR A 32 -6.565 -18.148 3.530 1.00 50.24 O ATOM 483 CG2 THR A 32 -4.970 -16.691 4.609 1.00 64.42 C ATOM 0 H THR A 32 -5.297 -16.594 1.682 1.00 63.05 H new ATOM 0 HA THR A 32 -3.252 -18.252 2.988 1.00 42.04 H new ATOM 0 HB THR A 32 -4.930 -18.827 4.598 1.00 3.34 H new ATOM 0 HG1 THR A 32 -6.623 -18.468 2.605 1.00 50.24 H new ATOM 0 HG21 THR A 32 -5.618 -16.628 5.483 1.00 64.42 H new ATOM 0 HG22 THR A 32 -3.929 -16.612 4.922 1.00 64.42 H new ATOM 0 HG23 THR A 32 -5.205 -15.876 3.924 1.00 64.42 H new ATOM 491 N PHE A 33 -3.858 -20.406 1.903 1.00 24.34 N ATOM 492 CA PHE A 33 -4.135 -21.645 1.186 1.00 43.05 C ATOM 493 C PHE A 33 -4.454 -22.777 2.157 1.00 21.15 C ATOM 494 O PHE A 33 -4.574 -22.559 3.362 1.00 3.44 O ATOM 495 CB PHE A 33 -2.940 -22.030 0.311 1.00 71.44 C ATOM 496 CG PHE A 33 -2.683 -21.066 -0.812 1.00 33.10 C ATOM 497 CD1 PHE A 33 -1.938 -19.917 -0.599 1.00 74.33 C ATOM 498 CD2 PHE A 33 -3.186 -21.309 -2.080 1.00 13.30 C ATOM 499 CE1 PHE A 33 -1.702 -19.028 -1.630 1.00 65.04 C ATOM 500 CE2 PHE A 33 -2.952 -20.423 -3.115 1.00 72.22 C ATOM 501 CZ PHE A 33 -2.208 -19.282 -2.890 1.00 41.11 C ATOM 0 H PHE A 33 -2.978 -20.405 2.418 1.00 24.34 H new ATOM 0 HA PHE A 33 -5.005 -21.480 0.550 1.00 43.05 H new ATOM 0 HB2 PHE A 33 -2.049 -22.094 0.935 1.00 71.44 H new ATOM 0 HB3 PHE A 33 -3.110 -23.023 -0.105 1.00 71.44 H new ATOM 0 HD1 PHE A 33 -1.538 -19.714 0.383 1.00 74.33 H new ATOM 0 HD2 PHE A 33 -3.767 -22.201 -2.262 1.00 13.30 H new ATOM 0 HE1 PHE A 33 -1.122 -18.135 -1.451 1.00 65.04 H new ATOM 0 HE2 PHE A 33 -3.351 -20.623 -4.099 1.00 72.22 H new ATOM 0 HZ PHE A 33 -2.022 -18.589 -3.698 1.00 41.11 H new ATOM 511 N GLU A 34 -4.591 -23.987 1.623 1.00 3.23 N ATOM 512 CA GLU A 34 -4.898 -25.153 2.443 1.00 5.13 C ATOM 513 C GLU A 34 -4.211 -26.400 1.894 1.00 23.11 C ATOM 514 O GLU A 34 -4.611 -27.524 2.193 1.00 70.20 O ATOM 515 CB GLU A 34 -6.410 -25.376 2.506 1.00 20.12 C ATOM 516 CG GLU A 34 -6.994 -25.953 1.228 1.00 62.33 C ATOM 517 CD GLU A 34 -8.487 -25.720 1.111 1.00 55.41 C ATOM 518 OE1 GLU A 34 -8.896 -24.545 0.998 1.00 14.10 O ATOM 519 OE2 GLU A 34 -9.247 -26.710 1.133 1.00 71.43 O ATOM 0 H GLU A 34 -4.494 -24.185 0.627 1.00 3.23 H new ATOM 0 HA GLU A 34 -4.524 -24.966 3.450 1.00 5.13 H new ATOM 0 HB2 GLU A 34 -6.635 -26.048 3.334 1.00 20.12 H new ATOM 0 HB3 GLU A 34 -6.900 -24.427 2.723 1.00 20.12 H new ATOM 0 HG2 GLU A 34 -6.492 -25.506 0.370 1.00 62.33 H new ATOM 0 HG3 GLU A 34 -6.793 -27.024 1.193 1.00 62.33 H new ATOM 526 N ASN A 35 -3.174 -26.191 1.089 1.00 73.54 N ATOM 527 CA ASN A 35 -2.432 -27.298 0.496 1.00 21.21 C ATOM 528 C ASN A 35 -1.145 -26.802 -0.157 1.00 74.31 C ATOM 529 O ASN A 35 -1.179 -26.000 -1.089 1.00 52.01 O ATOM 530 CB ASN A 35 -3.296 -28.023 -0.538 1.00 65.21 C ATOM 531 CG ASN A 35 -3.598 -29.454 -0.137 1.00 70.25 C ATOM 532 OD1 ASN A 35 -2.833 -30.080 0.596 1.00 21.22 O ATOM 533 ND2 ASN A 35 -4.719 -29.979 -0.619 1.00 42.03 N ATOM 0 H ASN A 35 -2.829 -25.266 0.833 1.00 73.54 H new ATOM 0 HA ASN A 35 -2.169 -27.995 1.292 1.00 21.21 H new ATOM 0 HB2 ASN A 35 -4.232 -27.480 -0.670 1.00 65.21 H new ATOM 0 HB3 ASN A 35 -2.786 -28.018 -1.501 1.00 65.21 H new ATOM 0 HD21 ASN A 35 -4.975 -30.938 -0.385 1.00 42.03 H new ATOM 0 HD22 ASN A 35 -5.324 -29.423 -1.224 1.00 42.03 H new ATOM 540 N GLY A 36 -0.011 -27.287 0.339 1.00 10.03 N ATOM 541 CA GLY A 36 1.271 -26.883 -0.208 1.00 52.40 C ATOM 542 C GLY A 36 1.334 -27.041 -1.714 1.00 61.12 C ATOM 543 O GLY A 36 1.790 -26.143 -2.421 1.00 21.23 O ATOM 0 H GLY A 36 0.043 -27.953 1.110 1.00 10.03 H new ATOM 0 HA2 GLY A 36 1.462 -25.842 0.053 1.00 52.40 H new ATOM 0 HA3 GLY A 36 2.062 -27.477 0.250 1.00 52.40 H new ATOM 547 N ASN A 37 0.877 -28.188 -2.207 1.00 13.32 N ATOM 548 CA ASN A 37 0.886 -28.462 -3.639 1.00 55.11 C ATOM 549 C ASN A 37 0.075 -27.416 -4.398 1.00 42.43 C ATOM 550 O ASN A 37 0.249 -27.237 -5.603 1.00 74.13 O ATOM 551 CB ASN A 37 0.324 -29.858 -3.916 1.00 15.22 C ATOM 552 CG ASN A 37 -0.100 -30.035 -5.361 1.00 45.33 C ATOM 553 OD1 ASN A 37 -1.288 -30.003 -5.680 1.00 52.02 O ATOM 554 ND2 ASN A 37 0.875 -30.223 -6.244 1.00 13.41 N ATOM 0 H ASN A 37 0.496 -28.942 -1.636 1.00 13.32 H new ATOM 0 HA ASN A 37 1.919 -28.418 -3.985 1.00 55.11 H new ATOM 0 HB2 ASN A 37 1.077 -30.606 -3.667 1.00 15.22 H new ATOM 0 HB3 ASN A 37 -0.531 -30.038 -3.265 1.00 15.22 H new ATOM 0 HD21 ASN A 37 0.652 -30.348 -7.231 1.00 13.41 H new ATOM 0 HD22 ASN A 37 1.847 -30.242 -5.934 1.00 13.41 H new ATOM 561 N GLU A 38 -0.809 -26.727 -3.684 1.00 12.24 N ATOM 562 CA GLU A 38 -1.646 -25.698 -4.291 1.00 31.54 C ATOM 563 C GLU A 38 -0.953 -24.340 -4.252 1.00 4.31 C ATOM 564 O GLU A 38 -1.353 -23.406 -4.947 1.00 0.22 O ATOM 565 CB GLU A 38 -2.994 -25.616 -3.571 1.00 21.10 C ATOM 566 CG GLU A 38 -4.183 -25.532 -4.513 1.00 61.33 C ATOM 567 CD GLU A 38 -5.494 -25.865 -3.829 1.00 34.21 C ATOM 568 OE1 GLU A 38 -5.513 -26.809 -3.011 1.00 73.45 O ATOM 569 OE2 GLU A 38 -6.501 -25.183 -4.110 1.00 53.44 O ATOM 0 H GLU A 38 -0.964 -26.862 -2.685 1.00 12.24 H new ATOM 0 HA GLU A 38 -1.814 -25.971 -5.333 1.00 31.54 H new ATOM 0 HB2 GLU A 38 -3.109 -26.491 -2.932 1.00 21.10 H new ATOM 0 HB3 GLU A 38 -2.995 -24.743 -2.919 1.00 21.10 H new ATOM 0 HG2 GLU A 38 -4.241 -24.527 -4.931 1.00 61.33 H new ATOM 0 HG3 GLU A 38 -4.029 -26.216 -5.348 1.00 61.33 H new ATOM 576 N VAL A 39 0.090 -24.237 -3.434 1.00 30.14 N ATOM 577 CA VAL A 39 0.840 -22.994 -3.304 1.00 3.25 C ATOM 578 C VAL A 39 1.967 -22.922 -4.328 1.00 22.32 C ATOM 579 O VAL A 39 2.212 -21.874 -4.926 1.00 54.32 O ATOM 580 CB VAL A 39 1.435 -22.842 -1.891 1.00 20.32 C ATOM 581 CG1 VAL A 39 1.852 -21.401 -1.638 1.00 72.35 C ATOM 582 CG2 VAL A 39 0.438 -23.309 -0.841 1.00 24.42 C ATOM 0 H VAL A 39 0.434 -25.000 -2.851 1.00 30.14 H new ATOM 0 HA VAL A 39 0.137 -22.181 -3.484 1.00 3.25 H new ATOM 0 HB VAL A 39 2.324 -23.469 -1.821 1.00 20.32 H new ATOM 0 HG11 VAL A 39 2.270 -21.314 -0.635 1.00 72.35 H new ATOM 0 HG12 VAL A 39 2.603 -21.106 -2.371 1.00 72.35 H new ATOM 0 HG13 VAL A 39 0.983 -20.750 -1.727 1.00 72.35 H new ATOM 0 HG21 VAL A 39 0.874 -23.195 0.151 1.00 24.42 H new ATOM 0 HG22 VAL A 39 -0.470 -22.710 -0.909 1.00 24.42 H new ATOM 0 HG23 VAL A 39 0.194 -24.358 -1.012 1.00 24.42 H new ATOM 592 N LEU A 40 2.651 -24.044 -4.526 1.00 0.21 N ATOM 593 CA LEU A 40 3.753 -24.110 -5.479 1.00 42.43 C ATOM 594 C LEU A 40 3.328 -23.571 -6.842 1.00 32.05 C ATOM 595 O LEU A 40 4.066 -22.824 -7.483 1.00 21.12 O ATOM 596 CB LEU A 40 4.247 -25.551 -5.619 1.00 50.44 C ATOM 597 CG LEU A 40 4.847 -25.926 -6.975 1.00 53.20 C ATOM 598 CD1 LEU A 40 5.986 -24.984 -7.334 1.00 33.01 C ATOM 599 CD2 LEU A 40 5.329 -27.369 -6.964 1.00 21.02 C ATOM 0 H LEU A 40 2.462 -24.920 -4.039 1.00 0.21 H new ATOM 0 HA LEU A 40 4.565 -23.489 -5.101 1.00 42.43 H new ATOM 0 HB2 LEU A 40 4.997 -25.733 -4.849 1.00 50.44 H new ATOM 0 HB3 LEU A 40 3.412 -26.222 -5.416 1.00 50.44 H new ATOM 0 HG LEU A 40 4.070 -25.829 -7.734 1.00 53.20 H new ATOM 0 HD11 LEU A 40 6.400 -25.266 -8.302 1.00 33.01 H new ATOM 0 HD12 LEU A 40 5.611 -23.962 -7.384 1.00 33.01 H new ATOM 0 HD13 LEU A 40 6.764 -25.048 -6.574 1.00 33.01 H new ATOM 0 HD21 LEU A 40 5.753 -27.618 -7.937 1.00 21.02 H new ATOM 0 HD22 LEU A 40 6.091 -27.492 -6.194 1.00 21.02 H new ATOM 0 HD23 LEU A 40 4.489 -28.031 -6.753 1.00 21.02 H new ATOM 611 N ALA A 41 2.132 -23.954 -7.276 1.00 53.01 N ATOM 612 CA ALA A 41 1.606 -23.506 -8.560 1.00 20.22 C ATOM 613 C ALA A 41 1.168 -22.047 -8.495 1.00 33.12 C ATOM 614 O ALA A 41 1.124 -21.356 -9.512 1.00 72.54 O ATOM 615 CB ALA A 41 0.445 -24.389 -8.992 1.00 33.44 C ATOM 0 H ALA A 41 1.509 -24.573 -6.758 1.00 53.01 H new ATOM 0 HA ALA A 41 2.403 -23.586 -9.299 1.00 20.22 H new ATOM 0 HB1 ALA A 41 0.062 -24.043 -9.952 1.00 33.44 H new ATOM 0 HB2 ALA A 41 0.788 -25.419 -9.088 1.00 33.44 H new ATOM 0 HB3 ALA A 41 -0.348 -24.338 -8.246 1.00 33.44 H new ATOM 621 N ALA A 42 0.844 -21.584 -7.292 1.00 34.52 N ATOM 622 CA ALA A 42 0.410 -20.207 -7.094 1.00 50.04 C ATOM 623 C ALA A 42 1.526 -19.226 -7.438 1.00 14.34 C ATOM 624 O ALA A 42 1.280 -18.170 -8.023 1.00 73.22 O ATOM 625 CB ALA A 42 -0.055 -20.000 -5.660 1.00 63.34 C ATOM 0 H ALA A 42 0.874 -22.143 -6.439 1.00 34.52 H new ATOM 0 HA ALA A 42 -0.427 -20.015 -7.766 1.00 50.04 H new ATOM 0 HB1 ALA A 42 -0.376 -18.967 -5.527 1.00 63.34 H new ATOM 0 HB2 ALA A 42 -0.889 -20.669 -5.448 1.00 63.34 H new ATOM 0 HB3 ALA A 42 0.766 -20.215 -4.977 1.00 63.34 H new ATOM 631 N LEU A 43 2.752 -19.579 -7.069 1.00 70.34 N ATOM 632 CA LEU A 43 3.907 -18.729 -7.338 1.00 15.10 C ATOM 633 C LEU A 43 4.047 -18.458 -8.832 1.00 44.14 C ATOM 634 O LEU A 43 4.421 -17.359 -9.242 1.00 30.15 O ATOM 635 CB LEU A 43 5.182 -19.383 -6.804 1.00 71.43 C ATOM 636 CG LEU A 43 5.047 -20.134 -5.479 1.00 2.01 C ATOM 637 CD1 LEU A 43 6.418 -20.478 -4.919 1.00 24.53 C ATOM 638 CD2 LEU A 43 4.252 -19.309 -4.477 1.00 73.35 C ATOM 0 H LEU A 43 2.972 -20.448 -6.583 1.00 70.34 H new ATOM 0 HA LEU A 43 3.754 -17.778 -6.828 1.00 15.10 H new ATOM 0 HB2 LEU A 43 5.552 -20.079 -7.557 1.00 71.43 H new ATOM 0 HB3 LEU A 43 5.941 -18.609 -6.684 1.00 71.43 H new ATOM 0 HG LEU A 43 4.508 -21.063 -5.663 1.00 2.01 H new ATOM 0 HD11 LEU A 43 6.302 -21.012 -3.976 1.00 24.53 H new ATOM 0 HD12 LEU A 43 6.954 -21.108 -5.629 1.00 24.53 H new ATOM 0 HD13 LEU A 43 6.982 -19.561 -4.750 1.00 24.53 H new ATOM 0 HD21 LEU A 43 4.166 -19.859 -3.540 1.00 73.35 H new ATOM 0 HD22 LEU A 43 4.763 -18.363 -4.297 1.00 73.35 H new ATOM 0 HD23 LEU A 43 3.257 -19.113 -4.875 1.00 73.35 H new ATOM 650 N ALA A 44 3.744 -19.467 -9.643 1.00 13.34 N ATOM 651 CA ALA A 44 3.832 -19.336 -11.092 1.00 4.13 C ATOM 652 C ALA A 44 2.817 -18.325 -11.615 1.00 23.42 C ATOM 653 O ALA A 44 2.873 -17.920 -12.776 1.00 14.33 O ATOM 654 CB ALA A 44 3.625 -20.688 -11.757 1.00 72.33 C ATOM 0 H ALA A 44 3.435 -20.384 -9.321 1.00 13.34 H new ATOM 0 HA ALA A 44 4.829 -18.971 -11.339 1.00 4.13 H new ATOM 0 HB1 ALA A 44 3.693 -20.576 -12.839 1.00 72.33 H new ATOM 0 HB2 ALA A 44 4.392 -21.383 -11.415 1.00 72.33 H new ATOM 0 HB3 ALA A 44 2.641 -21.076 -11.494 1.00 72.33 H new ATOM 660 N SER A 45 1.890 -17.923 -10.751 1.00 64.21 N ATOM 661 CA SER A 45 0.860 -16.963 -11.128 1.00 34.11 C ATOM 662 C SER A 45 1.422 -15.545 -11.154 1.00 74.03 C ATOM 663 O SER A 45 1.594 -14.952 -12.220 1.00 25.44 O ATOM 664 CB SER A 45 -0.318 -17.039 -10.155 1.00 32.15 C ATOM 665 OG SER A 45 -1.409 -16.258 -10.612 1.00 21.32 O ATOM 0 H SER A 45 1.832 -18.247 -9.786 1.00 64.21 H new ATOM 0 HA SER A 45 0.512 -17.215 -12.130 1.00 34.11 H new ATOM 0 HB2 SER A 45 -0.632 -18.076 -10.040 1.00 32.15 H new ATOM 0 HB3 SER A 45 -0.004 -16.690 -9.171 1.00 32.15 H new ATOM 0 HG SER A 45 -2.149 -16.325 -9.973 1.00 21.32 H new ATOM 671 N LYS A 46 1.705 -15.006 -9.974 1.00 3.25 N ATOM 672 CA LYS A 46 2.249 -13.658 -9.858 1.00 41.12 C ATOM 673 C LYS A 46 3.562 -13.666 -9.082 1.00 42.50 C ATOM 674 O LYS A 46 4.279 -12.665 -9.043 1.00 52.32 O ATOM 675 CB LYS A 46 1.241 -12.737 -9.167 1.00 43.41 C ATOM 676 CG LYS A 46 0.732 -13.277 -7.842 1.00 42.00 C ATOM 677 CD LYS A 46 -0.564 -12.602 -7.425 1.00 42.05 C ATOM 678 CE LYS A 46 -0.341 -11.141 -7.066 1.00 22.14 C ATOM 679 NZ LYS A 46 -0.918 -10.224 -8.087 1.00 44.11 N ATOM 0 H LYS A 46 1.567 -15.482 -9.083 1.00 3.25 H new ATOM 0 HA LYS A 46 2.444 -13.284 -10.863 1.00 41.12 H new ATOM 0 HB2 LYS A 46 1.705 -11.765 -8.999 1.00 43.41 H new ATOM 0 HB3 LYS A 46 0.394 -12.575 -9.833 1.00 43.41 H new ATOM 0 HG2 LYS A 46 0.573 -14.352 -7.923 1.00 42.00 H new ATOM 0 HG3 LYS A 46 1.487 -13.124 -7.071 1.00 42.00 H new ATOM 0 HD2 LYS A 46 -1.289 -12.672 -8.236 1.00 42.05 H new ATOM 0 HD3 LYS A 46 -0.990 -13.127 -6.570 1.00 42.05 H new ATOM 0 HE2 LYS A 46 -0.791 -10.933 -6.095 1.00 22.14 H new ATOM 0 HE3 LYS A 46 0.728 -10.950 -6.969 1.00 22.14 H new ATOM 0 HZ1 LYS A 46 -0.745 -9.238 -7.805 1.00 44.11 H new ATOM 0 HZ2 LYS A 46 -0.471 -10.405 -9.008 1.00 44.11 H new ATOM 0 HZ3 LYS A 46 -1.942 -10.388 -8.162 1.00 44.11 H new ATOM 693 N THR A 47 3.873 -14.801 -8.465 1.00 65.54 N ATOM 694 CA THR A 47 5.100 -14.939 -7.691 1.00 23.42 C ATOM 695 C THR A 47 5.152 -13.921 -6.558 1.00 24.14 C ATOM 696 O THR A 47 5.411 -12.736 -6.767 1.00 42.21 O ATOM 697 CB THR A 47 6.347 -14.767 -8.578 1.00 44.04 C ATOM 698 OG1 THR A 47 5.960 -14.671 -9.954 1.00 25.43 O ATOM 699 CG2 THR A 47 7.307 -15.933 -8.396 1.00 73.41 C ATOM 0 H THR A 47 3.292 -15.639 -8.486 1.00 65.54 H new ATOM 0 HA THR A 47 5.098 -15.945 -7.272 1.00 23.42 H new ATOM 0 HB THR A 47 6.854 -13.850 -8.279 1.00 44.04 H new ATOM 0 HG1 THR A 47 6.758 -14.560 -10.511 1.00 25.43 H new ATOM 0 HG21 THR A 47 8.180 -15.789 -9.033 1.00 73.41 H new ATOM 0 HG22 THR A 47 7.623 -15.985 -7.354 1.00 73.41 H new ATOM 0 HG23 THR A 47 6.807 -16.862 -8.671 1.00 73.41 H new ATOM 707 N PRO A 48 4.902 -14.391 -5.327 1.00 34.23 N ATOM 708 CA PRO A 48 4.915 -13.537 -4.135 1.00 64.32 C ATOM 709 C PRO A 48 6.321 -13.067 -3.776 1.00 15.35 C ATOM 710 O PRO A 48 7.297 -13.448 -4.421 1.00 2.20 O ATOM 711 CB PRO A 48 4.360 -14.449 -3.039 1.00 31.54 C ATOM 712 CG PRO A 48 4.669 -15.831 -3.502 1.00 64.03 C ATOM 713 CD PRO A 48 4.586 -15.793 -5.003 1.00 53.41 C ATOM 0 HA PRO A 48 4.338 -12.624 -4.281 1.00 64.32 H new ATOM 0 HB2 PRO A 48 4.827 -14.240 -2.077 1.00 31.54 H new ATOM 0 HB3 PRO A 48 3.287 -14.305 -2.910 1.00 31.54 H new ATOM 0 HG2 PRO A 48 5.661 -16.140 -3.174 1.00 64.03 H new ATOM 0 HG3 PRO A 48 3.959 -16.548 -3.090 1.00 64.03 H new ATOM 0 HD2 PRO A 48 5.296 -16.481 -5.462 1.00 53.41 H new ATOM 0 HD3 PRO A 48 3.594 -16.074 -5.358 1.00 53.41 H new ATOM 721 N ASP A 49 6.415 -12.237 -2.742 1.00 62.51 N ATOM 722 CA ASP A 49 7.702 -11.716 -2.296 1.00 12.04 C ATOM 723 C ASP A 49 8.180 -12.447 -1.044 1.00 54.55 C ATOM 724 O ASP A 49 9.325 -12.291 -0.621 1.00 41.32 O ATOM 725 CB ASP A 49 7.599 -10.216 -2.017 1.00 42.52 C ATOM 726 CG ASP A 49 7.476 -9.398 -3.288 1.00 63.00 C ATOM 727 OD1 ASP A 49 6.360 -9.330 -3.845 1.00 2.15 O ATOM 728 OD2 ASP A 49 8.496 -8.826 -3.726 1.00 1.33 O ATOM 0 H ASP A 49 5.616 -11.911 -2.198 1.00 62.51 H new ATOM 0 HA ASP A 49 8.429 -11.881 -3.091 1.00 12.04 H new ATOM 0 HB2 ASP A 49 6.734 -10.026 -1.381 1.00 42.52 H new ATOM 0 HB3 ASP A 49 8.480 -9.891 -1.463 1.00 42.52 H new ATOM 733 N VAL A 50 7.293 -13.244 -0.456 1.00 4.40 N ATOM 734 CA VAL A 50 7.624 -13.998 0.747 1.00 62.42 C ATOM 735 C VAL A 50 6.473 -14.910 1.157 1.00 24.14 C ATOM 736 O VAL A 50 5.306 -14.520 1.099 1.00 5.01 O ATOM 737 CB VAL A 50 7.967 -13.062 1.921 1.00 52.14 C ATOM 738 CG1 VAL A 50 6.726 -12.316 2.389 1.00 63.34 C ATOM 739 CG2 VAL A 50 8.590 -13.848 3.064 1.00 13.24 C ATOM 0 H VAL A 50 6.341 -13.384 -0.793 1.00 4.40 H new ATOM 0 HA VAL A 50 8.498 -14.604 0.510 1.00 62.42 H new ATOM 0 HB VAL A 50 8.695 -12.327 1.577 1.00 52.14 H new ATOM 0 HG11 VAL A 50 6.987 -11.660 3.219 1.00 63.34 H new ATOM 0 HG12 VAL A 50 6.328 -11.721 1.567 1.00 63.34 H new ATOM 0 HG13 VAL A 50 5.973 -13.032 2.717 1.00 63.34 H new ATOM 0 HG21 VAL A 50 8.826 -13.171 3.885 1.00 13.24 H new ATOM 0 HG22 VAL A 50 7.887 -14.606 3.410 1.00 13.24 H new ATOM 0 HG23 VAL A 50 9.504 -14.331 2.718 1.00 13.24 H new ATOM 749 N LEU A 51 6.809 -16.126 1.573 1.00 20.23 N ATOM 750 CA LEU A 51 5.803 -17.095 1.995 1.00 23.21 C ATOM 751 C LEU A 51 5.999 -17.481 3.458 1.00 55.20 C ATOM 752 O LEU A 51 7.055 -17.232 4.041 1.00 33.21 O ATOM 753 CB LEU A 51 5.868 -18.344 1.114 1.00 43.33 C ATOM 754 CG LEU A 51 4.550 -18.787 0.479 1.00 15.40 C ATOM 755 CD1 LEU A 51 4.787 -19.327 -0.923 1.00 33.04 C ATOM 756 CD2 LEU A 51 3.865 -19.832 1.347 1.00 74.20 C ATOM 0 H LEU A 51 7.770 -16.465 1.627 1.00 20.23 H new ATOM 0 HA LEU A 51 4.822 -16.633 1.888 1.00 23.21 H new ATOM 0 HB2 LEU A 51 6.590 -18.165 0.317 1.00 43.33 H new ATOM 0 HB3 LEU A 51 6.254 -19.168 1.714 1.00 43.33 H new ATOM 0 HG LEU A 51 3.895 -17.919 0.405 1.00 15.40 H new ATOM 0 HD11 LEU A 51 3.837 -19.637 -1.359 1.00 33.04 H new ATOM 0 HD12 LEU A 51 5.233 -18.549 -1.542 1.00 33.04 H new ATOM 0 HD13 LEU A 51 5.461 -20.183 -0.874 1.00 33.04 H new ATOM 0 HD21 LEU A 51 2.928 -20.136 0.880 1.00 74.20 H new ATOM 0 HD22 LEU A 51 4.516 -20.700 1.453 1.00 74.20 H new ATOM 0 HD23 LEU A 51 3.659 -19.410 2.331 1.00 74.20 H new ATOM 768 N LEU A 52 4.975 -18.091 4.045 1.00 20.10 N ATOM 769 CA LEU A 52 5.034 -18.514 5.440 1.00 43.10 C ATOM 770 C LEU A 52 4.420 -19.899 5.616 1.00 64.24 C ATOM 771 O LEU A 52 3.356 -20.046 6.216 1.00 12.30 O ATOM 772 CB LEU A 52 4.307 -17.505 6.331 1.00 44.24 C ATOM 773 CG LEU A 52 5.079 -16.228 6.666 1.00 54.32 C ATOM 774 CD1 LEU A 52 5.060 -15.268 5.486 1.00 24.01 C ATOM 775 CD2 LEU A 52 4.497 -15.563 7.905 1.00 22.32 C ATOM 0 H LEU A 52 4.094 -18.304 3.577 1.00 20.10 H new ATOM 0 HA LEU A 52 6.082 -18.561 5.735 1.00 43.10 H new ATOM 0 HB2 LEU A 52 3.374 -17.224 5.842 1.00 44.24 H new ATOM 0 HB3 LEU A 52 4.041 -18.000 7.265 1.00 44.24 H new ATOM 0 HG LEU A 52 6.115 -16.496 6.874 1.00 54.32 H new ATOM 0 HD11 LEU A 52 5.614 -14.365 5.743 1.00 24.01 H new ATOM 0 HD12 LEU A 52 5.523 -15.745 4.622 1.00 24.01 H new ATOM 0 HD13 LEU A 52 4.029 -15.006 5.247 1.00 24.01 H new ATOM 0 HD21 LEU A 52 5.058 -14.656 8.129 1.00 22.32 H new ATOM 0 HD22 LEU A 52 3.453 -15.308 7.725 1.00 22.32 H new ATOM 0 HD23 LEU A 52 4.562 -16.248 8.750 1.00 22.32 H new ATOM 787 N SER A 53 5.100 -20.913 5.089 1.00 30.14 N ATOM 788 CA SER A 53 4.621 -22.287 5.187 1.00 53.24 C ATOM 789 C SER A 53 4.289 -22.645 6.632 1.00 73.42 C ATOM 790 O SER A 53 4.951 -22.190 7.564 1.00 45.10 O ATOM 791 CB SER A 53 5.670 -23.255 4.637 1.00 72.41 C ATOM 792 OG SER A 53 5.295 -24.601 4.874 1.00 70.32 O ATOM 0 H SER A 53 5.984 -20.809 4.590 1.00 30.14 H new ATOM 0 HA SER A 53 3.711 -22.372 4.592 1.00 53.24 H new ATOM 0 HB2 SER A 53 5.794 -23.092 3.566 1.00 72.41 H new ATOM 0 HB3 SER A 53 6.634 -23.055 5.104 1.00 72.41 H new ATOM 0 HG SER A 53 5.981 -25.200 4.512 1.00 70.32 H new ATOM 798 N ASP A 54 3.258 -23.465 6.810 1.00 42.45 N ATOM 799 CA ASP A 54 2.837 -23.886 8.141 1.00 63.34 C ATOM 800 C ASP A 54 2.856 -25.407 8.260 1.00 5.02 C ATOM 801 O ASP A 54 1.960 -26.090 7.764 1.00 51.42 O ATOM 802 CB ASP A 54 1.436 -23.356 8.448 1.00 40.24 C ATOM 803 CG ASP A 54 1.026 -23.602 9.886 1.00 3.44 C ATOM 804 OD1 ASP A 54 1.579 -22.931 10.783 1.00 22.20 O ATOM 805 OD2 ASP A 54 0.153 -24.465 10.116 1.00 64.01 O ATOM 0 H ASP A 54 2.699 -23.851 6.049 1.00 42.45 H new ATOM 0 HA ASP A 54 3.539 -23.473 8.865 1.00 63.34 H new ATOM 0 HB2 ASP A 54 1.402 -22.286 8.242 1.00 40.24 H new ATOM 0 HB3 ASP A 54 0.717 -23.832 7.782 1.00 40.24 H new ATOM 810 N ILE A 55 3.884 -25.930 8.920 1.00 31.54 N ATOM 811 CA ILE A 55 4.019 -27.370 9.105 1.00 62.03 C ATOM 812 C ILE A 55 3.170 -27.857 10.274 1.00 54.13 C ATOM 813 O ILE A 55 3.530 -27.671 11.436 1.00 12.51 O ATOM 814 CB ILE A 55 5.486 -27.771 9.349 1.00 41.11 C ATOM 815 CG1 ILE A 55 6.413 -26.993 8.413 1.00 51.52 C ATOM 816 CG2 ILE A 55 5.665 -29.269 9.155 1.00 61.21 C ATOM 817 CD1 ILE A 55 7.878 -27.314 8.608 1.00 30.22 C ATOM 0 H ILE A 55 4.635 -25.379 9.335 1.00 31.54 H new ATOM 0 HA ILE A 55 3.670 -27.840 8.185 1.00 62.03 H new ATOM 0 HB ILE A 55 5.748 -27.524 10.378 1.00 41.11 H new ATOM 0 HG12 ILE A 55 6.137 -27.208 7.381 1.00 51.52 H new ATOM 0 HG13 ILE A 55 6.260 -25.925 8.568 1.00 51.52 H new ATOM 0 HG21 ILE A 55 6.707 -29.537 9.331 1.00 61.21 H new ATOM 0 HG22 ILE A 55 5.029 -29.806 9.859 1.00 61.21 H new ATOM 0 HG23 ILE A 55 5.388 -29.540 8.136 1.00 61.21 H new ATOM 0 HD11 ILE A 55 8.475 -26.726 7.911 1.00 30.22 H new ATOM 0 HD12 ILE A 55 8.170 -27.073 9.630 1.00 30.22 H new ATOM 0 HD13 ILE A 55 8.046 -28.375 8.424 1.00 30.22 H new ATOM 829 N ARG A 56 2.041 -28.483 9.957 1.00 11.02 N ATOM 830 CA ARG A 56 1.140 -28.998 10.981 1.00 12.32 C ATOM 831 C ARG A 56 0.108 -29.943 10.372 1.00 11.43 C ATOM 832 O ARG A 56 -0.996 -30.091 10.895 1.00 73.42 O ATOM 833 CB ARG A 56 0.432 -27.844 11.695 1.00 62.22 C ATOM 834 CG ARG A 56 1.108 -27.422 12.989 1.00 65.21 C ATOM 835 CD ARG A 56 1.567 -25.973 12.931 1.00 33.44 C ATOM 836 NE ARG A 56 2.442 -25.631 14.049 1.00 22.42 N ATOM 837 CZ ARG A 56 2.017 -25.490 15.299 1.00 15.05 C ATOM 838 NH1 ARG A 56 0.734 -25.661 15.590 1.00 2.40 N ATOM 839 NH2 ARG A 56 2.874 -25.178 16.262 1.00 4.34 N ATOM 0 H ARG A 56 1.729 -28.646 9.000 1.00 11.02 H new ATOM 0 HA ARG A 56 1.734 -29.555 11.706 1.00 12.32 H new ATOM 0 HB2 ARG A 56 0.385 -26.987 11.023 1.00 62.22 H new ATOM 0 HB3 ARG A 56 -0.595 -28.137 11.911 1.00 62.22 H new ATOM 0 HG2 ARG A 56 0.417 -27.553 13.821 1.00 65.21 H new ATOM 0 HG3 ARG A 56 1.964 -28.069 13.181 1.00 65.21 H new ATOM 0 HD2 ARG A 56 2.092 -25.796 11.992 1.00 33.44 H new ATOM 0 HD3 ARG A 56 0.697 -25.317 12.938 1.00 33.44 H new ATOM 0 HE ARG A 56 3.435 -25.493 13.859 1.00 22.42 H new ATOM 0 HH11 ARG A 56 0.071 -25.901 14.853 1.00 2.40 H new ATOM 0 HH12 ARG A 56 0.410 -25.552 16.551 1.00 2.40 H new ATOM 0 HH21 ARG A 56 3.861 -25.046 16.043 1.00 4.34 H new ATOM 0 HH22 ARG A 56 2.546 -25.070 17.222 1.00 4.34 H new ATOM 853 N MET A 57 0.476 -30.578 9.265 1.00 61.04 N ATOM 854 CA MET A 57 -0.418 -31.509 8.585 1.00 4.12 C ATOM 855 C MET A 57 0.348 -32.730 8.085 1.00 74.00 C ATOM 856 O MET A 57 1.445 -32.623 7.537 1.00 21.24 O ATOM 857 CB MET A 57 -1.117 -30.816 7.414 1.00 4.42 C ATOM 858 CG MET A 57 -0.213 -30.593 6.213 1.00 44.24 C ATOM 859 SD MET A 57 -0.941 -29.484 4.992 1.00 71.05 S ATOM 860 CE MET A 57 0.263 -28.158 4.977 1.00 63.44 C ATOM 0 H MET A 57 1.387 -30.466 8.819 1.00 61.04 H new ATOM 0 HA MET A 57 -1.169 -31.841 9.301 1.00 4.12 H new ATOM 0 HB2 MET A 57 -1.974 -31.415 7.107 1.00 4.42 H new ATOM 0 HB3 MET A 57 -1.504 -29.854 7.750 1.00 4.42 H new ATOM 0 HG2 MET A 57 0.738 -30.181 6.551 1.00 44.24 H new ATOM 0 HG3 MET A 57 0.004 -31.552 5.743 1.00 44.24 H new ATOM 0 HE1 MET A 57 -0.048 -27.392 4.267 1.00 63.44 H new ATOM 0 HE2 MET A 57 0.336 -27.721 5.973 1.00 63.44 H new ATOM 0 HE3 MET A 57 1.235 -28.553 4.682 1.00 63.44 H new ATOM 870 N PRO A 58 -0.243 -33.919 8.276 1.00 1.05 N ATOM 871 CA PRO A 58 0.366 -35.183 7.851 1.00 0.15 C ATOM 872 C PRO A 58 0.394 -35.331 6.334 1.00 24.31 C ATOM 873 O PRO A 58 1.031 -36.240 5.801 1.00 14.53 O ATOM 874 CB PRO A 58 -0.545 -36.243 8.475 1.00 21.05 C ATOM 875 CG PRO A 58 -1.861 -35.564 8.636 1.00 33.22 C ATOM 876 CD PRO A 58 -1.551 -34.121 8.922 1.00 2.02 C ATOM 0 HA PRO A 58 1.408 -35.259 8.163 1.00 0.15 H new ATOM 0 HB2 PRO A 58 -0.628 -37.121 7.834 1.00 21.05 H new ATOM 0 HB3 PRO A 58 -0.156 -36.585 9.434 1.00 21.05 H new ATOM 0 HG2 PRO A 58 -2.464 -35.662 7.733 1.00 33.22 H new ATOM 0 HG3 PRO A 58 -2.433 -36.009 9.450 1.00 33.22 H new ATOM 0 HD2 PRO A 58 -2.310 -33.457 8.508 1.00 2.02 H new ATOM 0 HD3 PRO A 58 -1.505 -33.924 9.993 1.00 2.02 H new ATOM 884 N GLY A 59 -0.299 -34.432 5.643 1.00 54.02 N ATOM 885 CA GLY A 59 -0.340 -34.481 4.193 1.00 42.20 C ATOM 886 C GLY A 59 1.042 -34.432 3.572 1.00 3.25 C ATOM 887 O GLY A 59 1.712 -35.457 3.450 1.00 35.31 O ATOM 0 H GLY A 59 -0.833 -33.670 6.061 1.00 54.02 H new ATOM 0 HA2 GLY A 59 -0.845 -35.394 3.878 1.00 42.20 H new ATOM 0 HA3 GLY A 59 -0.932 -33.645 3.821 1.00 42.20 H new ATOM 891 N MET A 60 1.470 -33.237 3.178 1.00 2.13 N ATOM 892 CA MET A 60 2.782 -33.059 2.566 1.00 30.04 C ATOM 893 C MET A 60 3.827 -32.694 3.616 1.00 14.12 C ATOM 894 O MET A 60 4.893 -32.173 3.289 1.00 23.32 O ATOM 895 CB MET A 60 2.723 -31.974 1.490 1.00 41.24 C ATOM 896 CG MET A 60 3.842 -32.073 0.466 1.00 41.45 C ATOM 897 SD MET A 60 3.227 -32.240 -1.221 1.00 42.02 S ATOM 898 CE MET A 60 2.131 -30.827 -1.324 1.00 21.23 C ATOM 0 H MET A 60 0.928 -32.378 3.271 1.00 2.13 H new ATOM 0 HA MET A 60 3.071 -34.003 2.104 1.00 30.04 H new ATOM 0 HB2 MET A 60 1.764 -32.036 0.975 1.00 41.24 H new ATOM 0 HB3 MET A 60 2.765 -30.996 1.969 1.00 41.24 H new ATOM 0 HG2 MET A 60 4.470 -31.185 0.533 1.00 41.45 H new ATOM 0 HG3 MET A 60 4.473 -32.929 0.705 1.00 41.45 H new ATOM 0 HE1 MET A 60 1.114 -31.169 -1.516 1.00 21.23 H new ATOM 0 HE2 MET A 60 2.158 -30.277 -0.384 1.00 21.23 H new ATOM 0 HE3 MET A 60 2.454 -30.175 -2.135 1.00 21.23 H new ATOM 908 N ASP A 61 3.513 -32.970 4.877 1.00 11.43 N ATOM 909 CA ASP A 61 4.425 -32.671 5.975 1.00 2.30 C ATOM 910 C ASP A 61 4.500 -31.168 6.225 1.00 0.34 C ATOM 911 O ASP A 61 4.029 -30.675 7.249 1.00 0.53 O ATOM 912 CB ASP A 61 5.820 -33.220 5.671 1.00 10.22 C ATOM 913 CG ASP A 61 6.308 -34.182 6.736 1.00 72.41 C ATOM 914 OD1 ASP A 61 6.374 -33.778 7.915 1.00 31.04 O ATOM 915 OD2 ASP A 61 6.624 -35.340 6.390 1.00 45.04 O ATOM 0 H ASP A 61 2.634 -33.400 5.164 1.00 11.43 H new ATOM 0 HA ASP A 61 4.042 -33.152 6.875 1.00 2.30 H new ATOM 0 HB2 ASP A 61 5.805 -33.727 4.706 1.00 10.22 H new ATOM 0 HB3 ASP A 61 6.523 -32.391 5.585 1.00 10.22 H new ATOM 920 N GLY A 62 5.097 -30.445 5.283 1.00 51.44 N ATOM 921 CA GLY A 62 5.224 -29.006 5.420 1.00 12.44 C ATOM 922 C GLY A 62 6.421 -28.455 4.671 1.00 11.32 C ATOM 923 O GLY A 62 6.287 -27.537 3.861 1.00 51.13 O ATOM 0 H GLY A 62 5.495 -30.830 4.427 1.00 51.44 H new ATOM 0 HA2 GLY A 62 4.317 -28.528 5.051 1.00 12.44 H new ATOM 0 HA3 GLY A 62 5.312 -28.751 6.476 1.00 12.44 H new ATOM 927 N LEU A 63 7.595 -29.014 4.943 1.00 51.34 N ATOM 928 CA LEU A 63 8.822 -28.572 4.289 1.00 1.32 C ATOM 929 C LEU A 63 8.982 -29.235 2.925 1.00 51.01 C ATOM 930 O LEU A 63 9.786 -28.799 2.102 1.00 1.41 O ATOM 931 CB LEU A 63 10.034 -28.888 5.168 1.00 74.32 C ATOM 932 CG LEU A 63 9.957 -30.184 5.975 1.00 33.44 C ATOM 933 CD1 LEU A 63 9.573 -31.351 5.078 1.00 54.51 C ATOM 934 CD2 LEU A 63 11.282 -30.459 6.671 1.00 11.43 C ATOM 0 H LEU A 63 7.723 -29.774 5.611 1.00 51.34 H new ATOM 0 HA LEU A 63 8.758 -27.494 4.143 1.00 1.32 H new ATOM 0 HB2 LEU A 63 10.918 -28.932 4.532 1.00 74.32 H new ATOM 0 HB3 LEU A 63 10.181 -28.060 5.861 1.00 74.32 H new ATOM 0 HG LEU A 63 9.186 -30.069 6.737 1.00 33.44 H new ATOM 0 HD11 LEU A 63 9.523 -32.264 5.671 1.00 54.51 H new ATOM 0 HD12 LEU A 63 8.600 -31.158 4.627 1.00 54.51 H new ATOM 0 HD13 LEU A 63 10.320 -31.468 4.293 1.00 54.51 H new ATOM 0 HD21 LEU A 63 11.208 -31.385 7.241 1.00 11.43 H new ATOM 0 HD22 LEU A 63 12.072 -30.553 5.926 1.00 11.43 H new ATOM 0 HD23 LEU A 63 11.516 -29.636 7.346 1.00 11.43 H new ATOM 946 N ALA A 64 8.209 -30.290 2.692 1.00 73.53 N ATOM 947 CA ALA A 64 8.261 -31.011 1.426 1.00 64.22 C ATOM 948 C ALA A 64 8.258 -30.047 0.245 1.00 41.25 C ATOM 949 O ALA A 64 9.099 -30.142 -0.650 1.00 70.35 O ATOM 950 CB ALA A 64 7.093 -31.981 1.321 1.00 4.34 C ATOM 0 H ALA A 64 7.539 -30.665 3.364 1.00 73.53 H new ATOM 0 HA ALA A 64 9.192 -31.577 1.397 1.00 64.22 H new ATOM 0 HB1 ALA A 64 7.145 -32.512 0.371 1.00 4.34 H new ATOM 0 HB2 ALA A 64 7.141 -32.698 2.140 1.00 4.34 H new ATOM 0 HB3 ALA A 64 6.155 -31.428 1.377 1.00 4.34 H new ATOM 956 N LEU A 65 7.307 -29.119 0.247 1.00 4.01 N ATOM 957 CA LEU A 65 7.194 -28.137 -0.825 1.00 42.44 C ATOM 958 C LEU A 65 8.211 -27.014 -0.645 1.00 13.31 C ATOM 959 O LEU A 65 8.592 -26.346 -1.607 1.00 53.13 O ATOM 960 CB LEU A 65 5.779 -27.557 -0.866 1.00 20.32 C ATOM 961 CG LEU A 65 5.583 -26.215 -0.160 1.00 51.25 C ATOM 962 CD1 LEU A 65 4.192 -25.666 -0.435 1.00 54.22 C ATOM 963 CD2 LEU A 65 5.815 -26.360 1.336 1.00 1.14 C ATOM 0 H LEU A 65 6.603 -29.026 0.979 1.00 4.01 H new ATOM 0 HA LEU A 65 7.401 -28.642 -1.769 1.00 42.44 H new ATOM 0 HB2 LEU A 65 5.485 -27.442 -1.909 1.00 20.32 H new ATOM 0 HB3 LEU A 65 5.098 -28.282 -0.421 1.00 20.32 H new ATOM 0 HG LEU A 65 6.314 -25.509 -0.553 1.00 51.25 H new ATOM 0 HD11 LEU A 65 4.070 -24.711 0.075 1.00 54.22 H new ATOM 0 HD12 LEU A 65 4.063 -25.523 -1.508 1.00 54.22 H new ATOM 0 HD13 LEU A 65 3.444 -26.370 -0.070 1.00 54.22 H new ATOM 0 HD21 LEU A 65 5.671 -25.395 1.822 1.00 1.14 H new ATOM 0 HD22 LEU A 65 5.108 -27.081 1.746 1.00 1.14 H new ATOM 0 HD23 LEU A 65 6.832 -26.708 1.514 1.00 1.14 H new ATOM 975 N LEU A 66 8.648 -26.812 0.593 1.00 32.12 N ATOM 976 CA LEU A 66 9.623 -25.771 0.900 1.00 32.23 C ATOM 977 C LEU A 66 10.989 -26.116 0.317 1.00 25.15 C ATOM 978 O LEU A 66 11.794 -25.231 0.028 1.00 45.24 O ATOM 979 CB LEU A 66 9.735 -25.580 2.414 1.00 74.21 C ATOM 980 CG LEU A 66 9.870 -24.137 2.900 1.00 11.12 C ATOM 981 CD1 LEU A 66 10.833 -23.363 2.013 1.00 1.05 C ATOM 982 CD2 LEU A 66 8.509 -23.456 2.935 1.00 45.14 C ATOM 0 H LEU A 66 8.343 -27.355 1.401 1.00 32.12 H new ATOM 0 HA LEU A 66 9.280 -24.841 0.447 1.00 32.23 H new ATOM 0 HB2 LEU A 66 8.854 -26.019 2.882 1.00 74.21 H new ATOM 0 HB3 LEU A 66 10.598 -26.144 2.768 1.00 74.21 H new ATOM 0 HG LEU A 66 10.273 -24.151 3.913 1.00 11.12 H new ATOM 0 HD11 LEU A 66 10.916 -22.338 2.374 1.00 1.05 H new ATOM 0 HD12 LEU A 66 11.814 -23.838 2.039 1.00 1.05 H new ATOM 0 HD13 LEU A 66 10.460 -23.358 0.989 1.00 1.05 H new ATOM 0 HD21 LEU A 66 8.625 -22.430 3.283 1.00 45.14 H new ATOM 0 HD22 LEU A 66 8.078 -23.453 1.934 1.00 45.14 H new ATOM 0 HD23 LEU A 66 7.849 -23.997 3.613 1.00 45.14 H new ATOM 994 N LYS A 67 11.245 -27.409 0.146 1.00 13.22 N ATOM 995 CA LYS A 67 12.512 -27.872 -0.406 1.00 22.44 C ATOM 996 C LYS A 67 12.657 -27.450 -1.864 1.00 65.42 C ATOM 997 O LYS A 67 13.767 -27.221 -2.345 1.00 53.30 O ATOM 998 CB LYS A 67 12.615 -29.395 -0.291 1.00 43.04 C ATOM 999 CG LYS A 67 12.740 -29.891 1.139 1.00 54.40 C ATOM 1000 CD LYS A 67 14.040 -29.431 1.777 1.00 31.51 C ATOM 1001 CE LYS A 67 15.249 -29.990 1.043 1.00 60.33 C ATOM 1002 NZ LYS A 67 15.914 -28.956 0.202 1.00 21.43 N ATOM 0 H LYS A 67 10.591 -28.155 0.382 1.00 13.22 H new ATOM 0 HA LYS A 67 13.319 -27.415 0.167 1.00 22.44 H new ATOM 0 HB2 LYS A 67 11.733 -29.846 -0.747 1.00 43.04 H new ATOM 0 HB3 LYS A 67 13.479 -29.736 -0.862 1.00 43.04 H new ATOM 0 HG2 LYS A 67 11.897 -29.527 1.726 1.00 54.40 H new ATOM 0 HG3 LYS A 67 12.692 -30.980 1.153 1.00 54.40 H new ATOM 0 HD2 LYS A 67 14.083 -28.342 1.774 1.00 31.51 H new ATOM 0 HD3 LYS A 67 14.067 -29.748 2.819 1.00 31.51 H new ATOM 0 HE2 LYS A 67 15.963 -30.384 1.766 1.00 60.33 H new ATOM 0 HE3 LYS A 67 14.938 -30.825 0.415 1.00 60.33 H new ATOM 0 HZ1 LYS A 67 16.909 -29.219 0.051 1.00 21.43 H new ATOM 0 HZ2 LYS A 67 15.430 -28.891 -0.716 1.00 21.43 H new ATOM 0 HZ3 LYS A 67 15.869 -28.035 0.683 1.00 21.43 H new ATOM 1016 N GLN A 68 11.530 -27.350 -2.561 1.00 44.54 N ATOM 1017 CA GLN A 68 11.534 -26.954 -3.965 1.00 33.21 C ATOM 1018 C GLN A 68 11.495 -25.436 -4.103 1.00 2.22 C ATOM 1019 O GLN A 68 11.917 -24.885 -5.120 1.00 0.41 O ATOM 1020 CB GLN A 68 10.341 -27.575 -4.694 1.00 51.12 C ATOM 1021 CG GLN A 68 9.096 -26.702 -4.678 1.00 24.03 C ATOM 1022 CD GLN A 68 7.815 -27.512 -4.679 1.00 22.44 C ATOM 1023 OE1 GLN A 68 6.821 -27.050 -3.930 1.00 33.51 O flip ATOM 1024 NE2 GLN A 68 7.720 -28.543 -5.345 1.00 1.54 N flip ATOM 0 H GLN A 68 10.604 -27.537 -2.178 1.00 44.54 H new ATOM 0 HA GLN A 68 12.457 -27.317 -4.417 1.00 33.21 H new ATOM 0 HB2 GLN A 68 10.622 -27.774 -5.728 1.00 51.12 H new ATOM 0 HB3 GLN A 68 10.107 -28.536 -4.236 1.00 51.12 H new ATOM 0 HG2 GLN A 68 9.116 -26.063 -3.795 1.00 24.03 H new ATOM 0 HG3 GLN A 68 9.107 -26.045 -5.548 1.00 24.03 H new ATOM 0 HE21 GLN A 68 8.509 -28.862 -5.907 1.00 1.54 H new ATOM 0 HE22 GLN A 68 6.852 -29.078 -5.335 1.00 1.54 H new ATOM 1033 N ILE A 69 10.987 -24.766 -3.074 1.00 73.01 N ATOM 1034 CA ILE A 69 10.894 -23.311 -3.081 1.00 61.40 C ATOM 1035 C ILE A 69 12.278 -22.673 -3.131 1.00 51.32 C ATOM 1036 O ILE A 69 12.447 -21.571 -3.653 1.00 51.54 O ATOM 1037 CB ILE A 69 10.145 -22.789 -1.841 1.00 73.11 C ATOM 1038 CG1 ILE A 69 8.656 -23.127 -1.938 1.00 54.03 C ATOM 1039 CG2 ILE A 69 10.344 -21.288 -1.695 1.00 3.11 C ATOM 1040 CD1 ILE A 69 7.907 -22.941 -0.637 1.00 5.11 C ATOM 0 H ILE A 69 10.634 -25.207 -2.225 1.00 73.01 H new ATOM 0 HA ILE A 69 10.336 -23.034 -3.975 1.00 61.40 H new ATOM 0 HB ILE A 69 10.553 -23.278 -0.956 1.00 73.11 H new ATOM 0 HG12 ILE A 69 8.199 -22.500 -2.704 1.00 54.03 H new ATOM 0 HG13 ILE A 69 8.547 -24.161 -2.266 1.00 54.03 H new ATOM 0 HG21 ILE A 69 9.809 -20.934 -0.814 1.00 3.11 H new ATOM 0 HG22 ILE A 69 11.407 -21.071 -1.585 1.00 3.11 H new ATOM 0 HG23 ILE A 69 9.960 -20.782 -2.581 1.00 3.11 H new ATOM 0 HD11 ILE A 69 6.858 -23.199 -0.781 1.00 5.11 H new ATOM 0 HD12 ILE A 69 8.338 -23.588 0.127 1.00 5.11 H new ATOM 0 HD13 ILE A 69 7.984 -21.902 -0.318 1.00 5.11 H new ATOM 1052 N LYS A 70 13.267 -23.373 -2.586 1.00 72.02 N ATOM 1053 CA LYS A 70 14.638 -22.877 -2.571 1.00 30.43 C ATOM 1054 C LYS A 70 15.332 -23.156 -3.900 1.00 43.00 C ATOM 1055 O LYS A 70 16.263 -22.448 -4.284 1.00 72.11 O ATOM 1056 CB LYS A 70 15.423 -23.525 -1.428 1.00 1.44 C ATOM 1057 CG LYS A 70 14.898 -23.165 -0.049 1.00 15.03 C ATOM 1058 CD LYS A 70 15.187 -21.714 0.297 1.00 10.04 C ATOM 1059 CE LYS A 70 14.080 -21.113 1.150 1.00 2.02 C ATOM 1060 NZ LYS A 70 14.181 -19.629 1.224 1.00 31.14 N ATOM 0 H LYS A 70 13.145 -24.286 -2.149 1.00 72.02 H new ATOM 0 HA LYS A 70 14.606 -21.798 -2.417 1.00 30.43 H new ATOM 0 HB2 LYS A 70 15.394 -24.608 -1.547 1.00 1.44 H new ATOM 0 HB3 LYS A 70 16.468 -23.224 -1.500 1.00 1.44 H new ATOM 0 HG2 LYS A 70 13.823 -23.342 -0.010 1.00 15.03 H new ATOM 0 HG3 LYS A 70 15.355 -23.816 0.697 1.00 15.03 H new ATOM 0 HD2 LYS A 70 16.135 -21.648 0.830 1.00 10.04 H new ATOM 0 HD3 LYS A 70 15.296 -21.135 -0.620 1.00 10.04 H new ATOM 0 HE2 LYS A 70 13.111 -21.391 0.736 1.00 2.02 H new ATOM 0 HE3 LYS A 70 14.129 -21.531 2.155 1.00 2.02 H new ATOM 0 HZ1 LYS A 70 13.816 -19.302 2.141 1.00 31.14 H new ATOM 0 HZ2 LYS A 70 15.176 -19.343 1.125 1.00 31.14 H new ATOM 0 HZ3 LYS A 70 13.621 -19.204 0.457 1.00 31.14 H new ATOM 1074 N GLN A 71 14.873 -24.190 -4.597 1.00 55.24 N ATOM 1075 CA GLN A 71 15.450 -24.560 -5.884 1.00 71.11 C ATOM 1076 C GLN A 71 14.748 -23.832 -7.026 1.00 33.34 C ATOM 1077 O GLN A 71 15.315 -23.655 -8.104 1.00 1.34 O ATOM 1078 CB GLN A 71 15.355 -26.073 -6.093 1.00 43.50 C ATOM 1079 CG GLN A 71 16.398 -26.620 -7.054 1.00 24.45 C ATOM 1080 CD GLN A 71 17.752 -26.811 -6.398 1.00 60.51 C ATOM 1081 OE1 GLN A 71 18.714 -26.114 -6.720 1.00 3.34 O ATOM 1082 NE2 GLN A 71 17.833 -27.760 -5.473 1.00 24.42 N ATOM 0 H GLN A 71 14.104 -24.786 -4.292 1.00 55.24 H new ATOM 0 HA GLN A 71 16.499 -24.265 -5.881 1.00 71.11 H new ATOM 0 HB2 GLN A 71 15.463 -26.572 -5.130 1.00 43.50 H new ATOM 0 HB3 GLN A 71 14.362 -26.318 -6.470 1.00 43.50 H new ATOM 0 HG2 GLN A 71 16.054 -27.574 -7.453 1.00 24.45 H new ATOM 0 HG3 GLN A 71 16.501 -25.939 -7.899 1.00 24.45 H new ATOM 0 HE21 GLN A 71 17.010 -28.314 -5.237 1.00 24.42 H new ATOM 0 HE22 GLN A 71 18.719 -27.935 -4.998 1.00 24.42 H new ATOM 1091 N ARG A 72 13.510 -23.413 -6.781 1.00 63.53 N ATOM 1092 CA ARG A 72 12.730 -22.706 -7.790 1.00 20.25 C ATOM 1093 C ARG A 72 12.764 -21.200 -7.546 1.00 23.32 C ATOM 1094 O ARG A 72 12.938 -20.414 -8.477 1.00 41.23 O ATOM 1095 CB ARG A 72 11.283 -23.202 -7.785 1.00 53.41 C ATOM 1096 CG ARG A 72 10.615 -23.143 -9.149 1.00 72.32 C ATOM 1097 CD ARG A 72 10.302 -21.712 -9.556 1.00 10.45 C ATOM 1098 NE ARG A 72 11.040 -21.308 -10.749 1.00 41.23 N ATOM 1099 CZ ARG A 72 10.741 -21.725 -11.974 1.00 53.35 C ATOM 1100 NH1 ARG A 72 9.723 -22.553 -12.166 1.00 44.04 N ATOM 1101 NH2 ARG A 72 11.460 -21.313 -13.011 1.00 15.31 N ATOM 0 H ARG A 72 13.026 -23.551 -5.894 1.00 63.53 H new ATOM 0 HA ARG A 72 13.173 -22.909 -8.765 1.00 20.25 H new ATOM 0 HB2 ARG A 72 11.261 -24.230 -7.423 1.00 53.41 H new ATOM 0 HB3 ARG A 72 10.705 -22.604 -7.080 1.00 53.41 H new ATOM 0 HG2 ARG A 72 11.266 -23.600 -9.894 1.00 72.32 H new ATOM 0 HG3 ARG A 72 9.694 -23.726 -9.130 1.00 72.32 H new ATOM 0 HD2 ARG A 72 9.232 -21.614 -9.741 1.00 10.45 H new ATOM 0 HD3 ARG A 72 10.546 -21.040 -8.734 1.00 10.45 H new ATOM 0 HE ARG A 72 11.828 -20.671 -10.636 1.00 41.23 H new ATOM 0 HH11 ARG A 72 9.168 -22.871 -11.372 1.00 44.04 H new ATOM 0 HH12 ARG A 72 9.495 -22.872 -13.108 1.00 44.04 H new ATOM 0 HH21 ARG A 72 12.243 -20.675 -12.868 1.00 15.31 H new ATOM 0 HH22 ARG A 72 11.229 -21.634 -13.951 1.00 15.31 H new ATOM 1115 N HIS A 73 12.597 -20.806 -6.288 1.00 13.35 N ATOM 1116 CA HIS A 73 12.608 -19.394 -5.921 1.00 44.11 C ATOM 1117 C HIS A 73 13.656 -19.120 -4.846 1.00 63.25 C ATOM 1118 O HIS A 73 13.345 -18.974 -3.664 1.00 51.24 O ATOM 1119 CB HIS A 73 11.228 -18.962 -5.425 1.00 71.43 C ATOM 1120 CG HIS A 73 10.103 -19.450 -6.286 1.00 21.34 C ATOM 1121 ND1 HIS A 73 9.641 -18.757 -7.384 1.00 55.01 N ATOM 1122 CD2 HIS A 73 9.349 -20.571 -6.205 1.00 35.12 C ATOM 1123 CE1 HIS A 73 8.649 -19.429 -7.941 1.00 31.33 C ATOM 1124 NE2 HIS A 73 8.452 -20.534 -7.244 1.00 62.34 N ATOM 0 H HIS A 73 12.452 -21.444 -5.505 1.00 13.35 H new ATOM 0 HA HIS A 73 12.863 -18.816 -6.809 1.00 44.11 H new ATOM 0 HB2 HIS A 73 11.084 -19.331 -4.409 1.00 71.43 H new ATOM 0 HB3 HIS A 73 11.192 -17.874 -5.377 1.00 71.43 H new ATOM 0 HD1 HIS A 73 10.008 -17.865 -7.715 1.00 55.01 H new ATOM 0 HD2 HIS A 73 9.437 -21.350 -5.462 1.00 35.12 H new ATOM 0 HE1 HIS A 73 8.094 -19.127 -8.817 1.00 31.33 H new ATOM 1132 N PRO A 74 14.929 -19.050 -5.264 1.00 70.14 N ATOM 1133 CA PRO A 74 16.048 -18.794 -4.353 1.00 64.02 C ATOM 1134 C PRO A 74 16.043 -17.367 -3.815 1.00 64.24 C ATOM 1135 O PRO A 74 16.341 -17.134 -2.644 1.00 72.52 O ATOM 1136 CB PRO A 74 17.281 -19.031 -5.230 1.00 14.22 C ATOM 1137 CG PRO A 74 16.811 -18.776 -6.620 1.00 72.14 C ATOM 1138 CD PRO A 74 15.373 -19.215 -6.659 1.00 0.33 C ATOM 0 HA PRO A 74 16.008 -19.431 -3.469 1.00 64.02 H new ATOM 0 HB2 PRO A 74 18.095 -18.360 -4.958 1.00 14.22 H new ATOM 0 HB3 PRO A 74 17.656 -20.048 -5.119 1.00 14.22 H new ATOM 0 HG2 PRO A 74 16.904 -17.720 -6.876 1.00 72.14 H new ATOM 0 HG3 PRO A 74 17.408 -19.333 -7.342 1.00 72.14 H new ATOM 0 HD2 PRO A 74 14.784 -18.604 -7.343 1.00 0.33 H new ATOM 0 HD3 PRO A 74 15.277 -20.248 -6.992 1.00 0.33 H new ATOM 1146 N MET A 75 15.703 -16.416 -4.679 1.00 4.44 N ATOM 1147 CA MET A 75 15.658 -15.011 -4.289 1.00 23.15 C ATOM 1148 C MET A 75 14.390 -14.707 -3.497 1.00 23.21 C ATOM 1149 O MET A 75 14.200 -13.590 -3.015 1.00 52.54 O ATOM 1150 CB MET A 75 15.729 -14.114 -5.526 1.00 14.45 C ATOM 1151 CG MET A 75 14.660 -14.421 -6.561 1.00 75.53 C ATOM 1152 SD MET A 75 13.740 -12.955 -7.067 1.00 60.43 S ATOM 1153 CE MET A 75 12.811 -12.607 -5.576 1.00 71.12 C ATOM 0 H MET A 75 15.455 -16.592 -5.653 1.00 4.44 H new ATOM 0 HA MET A 75 16.519 -14.808 -3.653 1.00 23.15 H new ATOM 0 HB2 MET A 75 15.635 -13.073 -5.216 1.00 14.45 H new ATOM 0 HB3 MET A 75 16.711 -14.222 -5.987 1.00 14.45 H new ATOM 0 HG2 MET A 75 15.127 -14.872 -7.437 1.00 75.53 H new ATOM 0 HG3 MET A 75 13.967 -15.157 -6.154 1.00 75.53 H new ATOM 0 HE1 MET A 75 11.955 -11.977 -5.819 1.00 71.12 H new ATOM 0 HE2 MET A 75 12.461 -13.542 -5.139 1.00 71.12 H new ATOM 0 HE3 MET A 75 13.451 -12.090 -4.861 1.00 71.12 H new ATOM 1163 N LEU A 76 13.526 -15.707 -3.366 1.00 60.40 N ATOM 1164 CA LEU A 76 12.275 -15.547 -2.633 1.00 3.15 C ATOM 1165 C LEU A 76 12.428 -16.011 -1.188 1.00 31.14 C ATOM 1166 O LEU A 76 12.657 -17.188 -0.909 1.00 33.31 O ATOM 1167 CB LEU A 76 11.155 -16.332 -3.317 1.00 23.40 C ATOM 1168 CG LEU A 76 9.798 -16.319 -2.612 1.00 43.54 C ATOM 1169 CD1 LEU A 76 9.128 -14.963 -2.772 1.00 12.10 C ATOM 1170 CD2 LEU A 76 8.905 -17.425 -3.154 1.00 53.33 C ATOM 0 H LEU A 76 13.669 -16.638 -3.758 1.00 60.40 H new ATOM 0 HA LEU A 76 12.017 -14.488 -2.630 1.00 3.15 H new ATOM 0 HB2 LEU A 76 11.023 -15.935 -4.323 1.00 23.40 H new ATOM 0 HB3 LEU A 76 11.477 -17.368 -3.423 1.00 23.40 H new ATOM 0 HG LEU A 76 9.959 -16.499 -1.549 1.00 43.54 H new ATOM 0 HD11 LEU A 76 8.164 -14.972 -2.264 1.00 12.10 H new ATOM 0 HD12 LEU A 76 9.761 -14.191 -2.335 1.00 12.10 H new ATOM 0 HD13 LEU A 76 8.979 -14.754 -3.831 1.00 12.10 H new ATOM 0 HD21 LEU A 76 7.944 -17.401 -2.641 1.00 53.33 H new ATOM 0 HD22 LEU A 76 8.750 -17.277 -4.223 1.00 53.33 H new ATOM 0 HD23 LEU A 76 9.381 -18.391 -2.987 1.00 53.33 H new ATOM 1182 N PRO A 77 12.297 -15.066 -0.245 1.00 54.11 N ATOM 1183 CA PRO A 77 12.413 -15.355 1.187 1.00 3.33 C ATOM 1184 C PRO A 77 11.241 -16.177 1.710 1.00 32.52 C ATOM 1185 O PRO A 77 10.097 -15.977 1.301 1.00 2.11 O ATOM 1186 CB PRO A 77 12.420 -13.965 1.830 1.00 64.41 C ATOM 1187 CG PRO A 77 11.702 -13.095 0.858 1.00 53.22 C ATOM 1188 CD PRO A 77 12.023 -13.642 -0.505 1.00 65.42 C ATOM 0 HA PRO A 77 13.299 -15.949 1.412 1.00 3.33 H new ATOM 0 HB2 PRO A 77 11.919 -13.974 2.798 1.00 64.41 H new ATOM 0 HB3 PRO A 77 13.437 -13.613 2.000 1.00 64.41 H new ATOM 0 HG2 PRO A 77 10.628 -13.110 1.041 1.00 53.22 H new ATOM 0 HG3 PRO A 77 12.027 -12.058 0.949 1.00 53.22 H new ATOM 0 HD2 PRO A 77 11.190 -13.513 -1.196 1.00 65.42 H new ATOM 0 HD3 PRO A 77 12.885 -13.141 -0.946 1.00 65.42 H new ATOM 1196 N VAL A 78 11.532 -17.104 2.618 1.00 61.34 N ATOM 1197 CA VAL A 78 10.501 -17.957 3.198 1.00 43.32 C ATOM 1198 C VAL A 78 10.701 -18.115 4.701 1.00 61.01 C ATOM 1199 O VAL A 78 11.792 -17.877 5.221 1.00 72.34 O ATOM 1200 CB VAL A 78 10.491 -19.351 2.543 1.00 43.43 C ATOM 1201 CG1 VAL A 78 9.206 -20.090 2.880 1.00 32.34 C ATOM 1202 CG2 VAL A 78 10.668 -19.232 1.036 1.00 21.24 C ATOM 0 H VAL A 78 12.473 -17.283 2.968 1.00 61.34 H new ATOM 0 HA VAL A 78 9.544 -17.469 3.011 1.00 43.32 H new ATOM 0 HB VAL A 78 11.327 -19.926 2.940 1.00 43.43 H new ATOM 0 HG11 VAL A 78 9.217 -21.073 2.409 1.00 32.34 H new ATOM 0 HG12 VAL A 78 9.126 -20.207 3.961 1.00 32.34 H new ATOM 0 HG13 VAL A 78 8.352 -19.521 2.513 1.00 32.34 H new ATOM 0 HG21 VAL A 78 10.659 -20.226 0.589 1.00 21.24 H new ATOM 0 HG22 VAL A 78 9.854 -18.639 0.620 1.00 21.24 H new ATOM 0 HG23 VAL A 78 11.619 -18.745 0.819 1.00 21.24 H new ATOM 1212 N ILE A 79 9.641 -18.518 5.394 1.00 65.33 N ATOM 1213 CA ILE A 79 9.701 -18.710 6.837 1.00 21.14 C ATOM 1214 C ILE A 79 8.992 -19.995 7.251 1.00 65.50 C ATOM 1215 O ILE A 79 7.836 -20.222 6.892 1.00 4.43 O ATOM 1216 CB ILE A 79 9.069 -17.524 7.589 1.00 2.05 C ATOM 1217 CG1 ILE A 79 9.539 -16.200 6.984 1.00 10.53 C ATOM 1218 CG2 ILE A 79 9.417 -17.589 9.069 1.00 33.32 C ATOM 1219 CD1 ILE A 79 8.841 -14.989 7.563 1.00 34.14 C ATOM 0 H ILE A 79 8.731 -18.718 4.979 1.00 65.33 H new ATOM 0 HA ILE A 79 10.756 -18.778 7.102 1.00 21.14 H new ATOM 0 HB ILE A 79 7.985 -17.584 7.487 1.00 2.05 H new ATOM 0 HG12 ILE A 79 10.613 -16.099 7.140 1.00 10.53 H new ATOM 0 HG13 ILE A 79 9.375 -16.223 5.907 1.00 10.53 H new ATOM 0 HG21 ILE A 79 8.963 -16.744 9.587 1.00 33.32 H new ATOM 0 HG22 ILE A 79 9.038 -18.520 9.491 1.00 33.32 H new ATOM 0 HG23 ILE A 79 10.500 -17.550 9.190 1.00 33.32 H new ATOM 0 HD11 ILE A 79 9.224 -14.086 7.087 1.00 34.14 H new ATOM 0 HD12 ILE A 79 7.769 -15.067 7.383 1.00 34.14 H new ATOM 0 HD13 ILE A 79 9.026 -14.941 8.636 1.00 34.14 H new ATOM 1231 N ILE A 80 9.693 -20.833 8.008 1.00 35.05 N ATOM 1232 CA ILE A 80 9.129 -22.094 8.474 1.00 61.45 C ATOM 1233 C ILE A 80 8.389 -21.912 9.794 1.00 74.00 C ATOM 1234 O ILE A 80 8.849 -21.195 10.682 1.00 43.14 O ATOM 1235 CB ILE A 80 10.221 -23.166 8.654 1.00 55.04 C ATOM 1236 CG1 ILE A 80 10.677 -23.694 7.292 1.00 33.41 C ATOM 1237 CG2 ILE A 80 9.708 -24.303 9.524 1.00 34.24 C ATOM 1238 CD1 ILE A 80 9.734 -24.714 6.693 1.00 72.21 C ATOM 0 H ILE A 80 10.652 -20.662 8.311 1.00 35.05 H new ATOM 0 HA ILE A 80 8.426 -22.426 7.710 1.00 61.45 H new ATOM 0 HB ILE A 80 11.078 -22.712 9.152 1.00 55.04 H new ATOM 0 HG12 ILE A 80 10.779 -22.856 6.602 1.00 33.41 H new ATOM 0 HG13 ILE A 80 11.665 -24.142 7.397 1.00 33.41 H new ATOM 0 HG21 ILE A 80 10.491 -25.052 9.642 1.00 34.24 H new ATOM 0 HG22 ILE A 80 9.427 -23.914 10.503 1.00 34.24 H new ATOM 0 HG23 ILE A 80 8.838 -24.759 9.052 1.00 34.24 H new ATOM 0 HD11 ILE A 80 10.120 -25.044 5.729 1.00 72.21 H new ATOM 0 HD12 ILE A 80 9.651 -25.570 7.363 1.00 72.21 H new ATOM 0 HD13 ILE A 80 8.751 -24.264 6.555 1.00 72.21 H new ATOM 1250 N MET A 81 7.239 -22.568 9.917 1.00 41.41 N ATOM 1251 CA MET A 81 6.436 -22.480 11.131 1.00 71.21 C ATOM 1252 C MET A 81 6.186 -23.866 11.718 1.00 12.43 C ATOM 1253 O MET A 81 5.643 -24.746 11.050 1.00 63.40 O ATOM 1254 CB MET A 81 5.103 -21.790 10.837 1.00 13.44 C ATOM 1255 CG MET A 81 5.183 -20.272 10.875 1.00 21.12 C ATOM 1256 SD MET A 81 4.168 -19.491 9.606 1.00 44.02 S ATOM 1257 CE MET A 81 2.669 -20.463 9.725 1.00 60.41 C ATOM 0 H MET A 81 6.843 -23.166 9.191 1.00 41.41 H new ATOM 0 HA MET A 81 6.989 -21.889 11.861 1.00 71.21 H new ATOM 0 HB2 MET A 81 4.750 -22.103 9.854 1.00 13.44 H new ATOM 0 HB3 MET A 81 4.362 -22.125 11.563 1.00 13.44 H new ATOM 0 HG2 MET A 81 4.865 -19.920 11.856 1.00 21.12 H new ATOM 0 HG3 MET A 81 6.220 -19.963 10.746 1.00 21.12 H new ATOM 0 HE1 MET A 81 2.035 -20.262 8.861 1.00 60.41 H new ATOM 0 HE2 MET A 81 2.923 -21.523 9.749 1.00 60.41 H new ATOM 0 HE3 MET A 81 2.135 -20.197 10.637 1.00 60.41 H new ATOM 1267 N THR A 82 6.585 -24.053 12.973 1.00 51.25 N ATOM 1268 CA THR A 82 6.405 -25.331 13.649 1.00 63.10 C ATOM 1269 C THR A 82 6.974 -25.290 15.063 1.00 52.32 C ATOM 1270 O THR A 82 6.260 -25.530 16.036 1.00 1.01 O ATOM 1271 CB THR A 82 7.078 -26.478 12.871 1.00 51.21 C ATOM 1272 OG1 THR A 82 7.237 -27.619 13.721 1.00 75.44 O ATOM 1273 CG2 THR A 82 8.434 -26.046 12.335 1.00 4.42 C ATOM 0 H THR A 82 7.035 -23.335 13.541 1.00 51.25 H new ATOM 0 HA THR A 82 5.332 -25.515 13.697 1.00 63.10 H new ATOM 0 HB THR A 82 6.439 -26.740 12.028 1.00 51.21 H new ATOM 0 HG1 THR A 82 6.888 -28.415 13.268 1.00 75.44 H new ATOM 0 HG21 THR A 82 8.890 -26.872 11.790 1.00 4.42 H new ATOM 0 HG22 THR A 82 8.306 -25.196 11.665 1.00 4.42 H new ATOM 0 HG23 THR A 82 9.079 -25.760 13.166 1.00 4.42 H new ATOM 1281 N ALA A 83 8.263 -24.983 15.169 1.00 55.24 N ATOM 1282 CA ALA A 83 8.926 -24.907 16.464 1.00 31.13 C ATOM 1283 C ALA A 83 9.221 -26.299 17.012 1.00 62.40 C ATOM 1284 O ALA A 83 10.381 -26.687 17.157 1.00 30.15 O ATOM 1285 CB ALA A 83 8.073 -24.121 17.449 1.00 40.42 C ATOM 0 H ALA A 83 8.868 -24.783 14.373 1.00 55.24 H new ATOM 0 HA ALA A 83 9.875 -24.389 16.328 1.00 31.13 H new ATOM 0 HB1 ALA A 83 8.581 -24.072 18.412 1.00 40.42 H new ATOM 0 HB2 ALA A 83 7.917 -23.111 17.070 1.00 40.42 H new ATOM 0 HB3 ALA A 83 7.109 -24.616 17.571 1.00 40.42 H new ATOM 1291 N HIS A 84 8.165 -27.047 17.315 1.00 70.51 N ATOM 1292 CA HIS A 84 8.312 -28.398 17.847 1.00 13.41 C ATOM 1293 C HIS A 84 8.431 -29.417 16.718 1.00 41.41 C ATOM 1294 O HIS A 84 7.781 -29.288 15.681 1.00 54.41 O ATOM 1295 CB HIS A 84 7.123 -28.748 18.742 1.00 14.31 C ATOM 1296 CG HIS A 84 5.864 -29.032 17.982 1.00 51.22 C ATOM 1297 ND1 HIS A 84 5.321 -28.415 16.906 1.00 35.04 N flip ATOM 1298 CD2 HIS A 84 5.004 -30.059 18.307 1.00 12.24 C flip ATOM 1299 CE1 HIS A 84 4.155 -29.074 16.604 1.00 13.31 C flip ATOM 1300 NE2 HIS A 84 3.987 -30.063 17.464 1.00 31.42 N flip ATOM 0 H HIS A 84 7.199 -26.741 17.202 1.00 70.51 H new ATOM 0 HA HIS A 84 9.226 -28.431 18.440 1.00 13.41 H new ATOM 0 HB2 HIS A 84 7.377 -29.619 19.346 1.00 14.31 H new ATOM 0 HB3 HIS A 84 6.943 -27.923 19.432 1.00 14.31 H new ATOM 0 HD1 HIS A 84 5.706 -27.610 16.412 1.00 35.04 H new ATOM 0 HD2 HIS A 84 5.140 -30.752 19.124 1.00 12.24 H new ATOM 0 HE1 HIS A 84 3.484 -28.825 15.795 1.00 13.31 H new ATOM 1308 N SER A 85 9.267 -30.429 16.927 1.00 41.24 N ATOM 1309 CA SER A 85 9.475 -31.467 15.924 1.00 22.44 C ATOM 1310 C SER A 85 9.633 -30.858 14.535 1.00 44.42 C ATOM 1311 O SER A 85 8.724 -30.925 13.708 1.00 14.21 O ATOM 1312 CB SER A 85 8.306 -32.454 15.931 1.00 54.42 C ATOM 1313 OG SER A 85 8.707 -33.724 15.449 1.00 24.33 O ATOM 0 H SER A 85 9.811 -30.552 17.781 1.00 41.24 H new ATOM 0 HA SER A 85 10.393 -32.000 16.174 1.00 22.44 H new ATOM 0 HB2 SER A 85 7.916 -32.553 16.944 1.00 54.42 H new ATOM 0 HB3 SER A 85 7.496 -32.067 15.314 1.00 54.42 H new ATOM 0 HG SER A 85 7.942 -34.336 15.465 1.00 24.33 H new ATOM 1319 N ASP A 86 10.795 -30.263 14.286 1.00 52.33 N ATOM 1320 CA ASP A 86 11.074 -29.641 12.996 1.00 24.24 C ATOM 1321 C ASP A 86 12.334 -28.784 13.068 1.00 23.12 C ATOM 1322 O ASP A 86 13.293 -29.008 12.328 1.00 2.40 O ATOM 1323 CB ASP A 86 9.887 -28.788 12.549 1.00 14.44 C ATOM 1324 CG ASP A 86 9.118 -29.419 11.405 1.00 10.12 C ATOM 1325 OD1 ASP A 86 9.725 -29.651 10.339 1.00 42.34 O ATOM 1326 OD2 ASP A 86 7.910 -29.682 11.577 1.00 55.13 O ATOM 0 H ASP A 86 11.558 -30.198 14.960 1.00 52.33 H new ATOM 0 HA ASP A 86 11.236 -30.434 12.266 1.00 24.24 H new ATOM 0 HB2 ASP A 86 9.215 -28.635 13.394 1.00 14.44 H new ATOM 0 HB3 ASP A 86 10.245 -27.805 12.244 1.00 14.44 H new ATOM 1331 N LEU A 87 12.325 -27.802 13.963 1.00 62.12 N ATOM 1332 CA LEU A 87 13.467 -26.910 14.131 1.00 41.20 C ATOM 1333 C LEU A 87 14.774 -27.695 14.147 1.00 24.51 C ATOM 1334 O LEU A 87 15.753 -27.305 13.509 1.00 34.35 O ATOM 1335 CB LEU A 87 13.325 -26.107 15.425 1.00 4.31 C ATOM 1336 CG LEU A 87 12.724 -24.708 15.285 1.00 41.14 C ATOM 1337 CD1 LEU A 87 11.489 -24.745 14.399 1.00 55.43 C ATOM 1338 CD2 LEU A 87 12.385 -24.133 16.652 1.00 21.22 C ATOM 0 H LEU A 87 11.540 -27.603 14.583 1.00 62.12 H new ATOM 0 HA LEU A 87 13.488 -26.223 13.285 1.00 41.20 H new ATOM 0 HB2 LEU A 87 12.707 -26.678 16.117 1.00 4.31 H new ATOM 0 HB3 LEU A 87 14.311 -26.013 15.881 1.00 4.31 H new ATOM 0 HG LEU A 87 13.464 -24.061 14.815 1.00 41.14 H new ATOM 0 HD11 LEU A 87 11.074 -23.741 14.311 1.00 55.43 H new ATOM 0 HD12 LEU A 87 11.762 -25.113 13.410 1.00 55.43 H new ATOM 0 HD13 LEU A 87 10.744 -25.407 14.840 1.00 55.43 H new ATOM 0 HD21 LEU A 87 11.958 -23.137 16.532 1.00 21.22 H new ATOM 0 HD22 LEU A 87 11.662 -24.780 17.150 1.00 21.22 H new ATOM 0 HD23 LEU A 87 13.291 -24.070 17.255 1.00 21.22 H new ATOM 1350 N ASP A 88 14.783 -28.805 14.878 1.00 12.31 N ATOM 1351 CA ASP A 88 15.969 -29.648 14.975 1.00 51.34 C ATOM 1352 C ASP A 88 16.602 -29.854 13.602 1.00 31.42 C ATOM 1353 O ASP A 88 17.817 -29.737 13.444 1.00 54.20 O ATOM 1354 CB ASP A 88 15.611 -31.000 15.594 1.00 53.33 C ATOM 1355 CG ASP A 88 15.791 -31.013 17.099 1.00 63.21 C ATOM 1356 OD1 ASP A 88 14.903 -30.495 17.808 1.00 22.01 O ATOM 1357 OD2 ASP A 88 16.820 -31.543 17.568 1.00 42.22 O ATOM 0 H ASP A 88 13.982 -29.142 15.412 1.00 12.31 H new ATOM 0 HA ASP A 88 16.692 -29.144 15.617 1.00 51.34 H new ATOM 0 HB2 ASP A 88 14.577 -31.244 15.353 1.00 53.33 H new ATOM 0 HB3 ASP A 88 16.234 -31.776 15.150 1.00 53.33 H new ATOM 1362 N ALA A 89 15.770 -30.164 12.613 1.00 10.00 N ATOM 1363 CA ALA A 89 16.248 -30.386 11.254 1.00 20.21 C ATOM 1364 C ALA A 89 16.293 -29.080 10.468 1.00 64.53 C ATOM 1365 O ALA A 89 17.287 -28.776 9.809 1.00 4.34 O ATOM 1366 CB ALA A 89 15.366 -31.402 10.544 1.00 73.03 C ATOM 0 H ALA A 89 14.762 -30.267 12.728 1.00 10.00 H new ATOM 0 HA ALA A 89 17.263 -30.780 11.312 1.00 20.21 H new ATOM 0 HB1 ALA A 89 15.734 -31.558 9.530 1.00 73.03 H new ATOM 0 HB2 ALA A 89 15.389 -32.346 11.088 1.00 73.03 H new ATOM 0 HB3 ALA A 89 14.342 -31.030 10.505 1.00 73.03 H new ATOM 1372 N ALA A 90 15.211 -28.313 10.540 1.00 34.44 N ATOM 1373 CA ALA A 90 15.128 -27.040 9.836 1.00 11.22 C ATOM 1374 C ALA A 90 16.375 -26.196 10.079 1.00 34.15 C ATOM 1375 O ALA A 90 16.816 -25.455 9.201 1.00 0.12 O ATOM 1376 CB ALA A 90 13.882 -26.280 10.265 1.00 13.51 C ATOM 0 H ALA A 90 14.379 -28.551 11.079 1.00 34.44 H new ATOM 0 HA ALA A 90 15.064 -27.247 8.768 1.00 11.22 H new ATOM 0 HB1 ALA A 90 13.833 -25.331 9.731 1.00 13.51 H new ATOM 0 HB2 ALA A 90 12.997 -26.873 10.034 1.00 13.51 H new ATOM 0 HB3 ALA A 90 13.922 -26.091 11.338 1.00 13.51 H new ATOM 1382 N VAL A 91 16.938 -26.313 11.278 1.00 42.03 N ATOM 1383 CA VAL A 91 18.135 -25.561 11.636 1.00 32.14 C ATOM 1384 C VAL A 91 19.212 -25.699 10.566 1.00 12.22 C ATOM 1385 O VAL A 91 19.698 -24.704 10.028 1.00 12.14 O ATOM 1386 CB VAL A 91 18.707 -26.028 12.988 1.00 30.00 C ATOM 1387 CG1 VAL A 91 20.138 -25.542 13.159 1.00 41.03 C ATOM 1388 CG2 VAL A 91 17.830 -25.544 14.133 1.00 5.51 C ATOM 0 H VAL A 91 16.585 -26.921 12.017 1.00 42.03 H new ATOM 0 HA VAL A 91 17.839 -24.515 11.716 1.00 32.14 H new ATOM 0 HB VAL A 91 18.715 -27.118 13.003 1.00 30.00 H new ATOM 0 HG11 VAL A 91 20.525 -25.882 14.120 1.00 41.03 H new ATOM 0 HG12 VAL A 91 20.757 -25.943 12.356 1.00 41.03 H new ATOM 0 HG13 VAL A 91 20.159 -24.453 13.124 1.00 41.03 H new ATOM 0 HG21 VAL A 91 18.249 -25.883 15.081 1.00 5.51 H new ATOM 0 HG22 VAL A 91 17.788 -24.455 14.124 1.00 5.51 H new ATOM 0 HG23 VAL A 91 16.824 -25.947 14.016 1.00 5.51 H new ATOM 1398 N SER A 92 19.580 -26.939 10.261 1.00 2.03 N ATOM 1399 CA SER A 92 20.603 -27.208 9.257 1.00 53.40 C ATOM 1400 C SER A 92 19.988 -27.283 7.863 1.00 41.14 C ATOM 1401 O SER A 92 20.518 -26.716 6.908 1.00 54.25 O ATOM 1402 CB SER A 92 21.331 -28.514 9.577 1.00 60.41 C ATOM 1403 OG SER A 92 22.395 -28.741 8.668 1.00 34.14 O ATOM 0 H SER A 92 19.185 -27.773 10.695 1.00 2.03 H new ATOM 0 HA SER A 92 21.320 -26.388 9.275 1.00 53.40 H new ATOM 0 HB2 SER A 92 21.720 -28.477 10.595 1.00 60.41 H new ATOM 0 HB3 SER A 92 20.628 -29.346 9.534 1.00 60.41 H new ATOM 0 HG SER A 92 22.845 -29.581 8.895 1.00 34.14 H new ATOM 1409 N ALA A 93 18.867 -27.988 7.755 1.00 54.15 N ATOM 1410 CA ALA A 93 18.178 -28.137 6.479 1.00 52.44 C ATOM 1411 C ALA A 93 17.775 -26.780 5.911 1.00 51.12 C ATOM 1412 O ALA A 93 18.242 -26.379 4.845 1.00 42.34 O ATOM 1413 CB ALA A 93 16.955 -29.028 6.640 1.00 42.24 C ATOM 0 H ALA A 93 18.416 -28.465 8.536 1.00 54.15 H new ATOM 0 HA ALA A 93 18.866 -28.606 5.776 1.00 52.44 H new ATOM 0 HB1 ALA A 93 16.450 -29.130 5.679 1.00 42.24 H new ATOM 0 HB2 ALA A 93 17.265 -30.011 6.994 1.00 42.24 H new ATOM 0 HB3 ALA A 93 16.272 -28.581 7.363 1.00 42.24 H new ATOM 1419 N TYR A 94 16.905 -26.078 6.629 1.00 62.23 N ATOM 1420 CA TYR A 94 16.437 -24.767 6.194 1.00 31.44 C ATOM 1421 C TYR A 94 17.610 -23.822 5.953 1.00 70.43 C ATOM 1422 O TYR A 94 17.483 -22.830 5.237 1.00 41.51 O ATOM 1423 CB TYR A 94 15.492 -24.169 7.238 1.00 51.24 C ATOM 1424 CG TYR A 94 14.480 -23.207 6.657 1.00 71.21 C ATOM 1425 CD1 TYR A 94 13.782 -23.519 5.496 1.00 4.53 C ATOM 1426 CD2 TYR A 94 14.220 -21.987 7.270 1.00 65.33 C ATOM 1427 CE1 TYR A 94 12.858 -22.643 4.962 1.00 54.50 C ATOM 1428 CE2 TYR A 94 13.296 -21.106 6.743 1.00 2.32 C ATOM 1429 CZ TYR A 94 12.618 -21.438 5.589 1.00 12.40 C ATOM 1430 OH TYR A 94 11.696 -20.563 5.061 1.00 43.13 O ATOM 0 H TYR A 94 16.510 -26.395 7.514 1.00 62.23 H new ATOM 0 HA TYR A 94 15.898 -24.894 5.255 1.00 31.44 H new ATOM 0 HB2 TYR A 94 14.964 -24.977 7.744 1.00 51.24 H new ATOM 0 HB3 TYR A 94 16.081 -23.651 7.995 1.00 51.24 H new ATOM 0 HD1 TYR A 94 13.966 -24.462 5.003 1.00 4.53 H new ATOM 0 HD2 TYR A 94 14.749 -21.723 8.174 1.00 65.33 H new ATOM 0 HE1 TYR A 94 12.326 -22.900 4.058 1.00 54.50 H new ATOM 0 HE2 TYR A 94 13.106 -20.162 7.232 1.00 2.32 H new ATOM 0 HH TYR A 94 10.793 -20.848 5.313 1.00 43.13 H new ATOM 1440 N GLN A 95 18.751 -24.140 6.555 1.00 23.42 N ATOM 1441 CA GLN A 95 19.948 -23.320 6.406 1.00 74.21 C ATOM 1442 C GLN A 95 20.520 -23.444 4.998 1.00 43.02 C ATOM 1443 O GLN A 95 21.552 -22.851 4.684 1.00 71.14 O ATOM 1444 CB GLN A 95 21.003 -23.728 7.436 1.00 55.40 C ATOM 1445 CG GLN A 95 21.140 -22.745 8.588 1.00 54.14 C ATOM 1446 CD GLN A 95 21.957 -21.523 8.218 1.00 40.21 C ATOM 1447 OE1 GLN A 95 21.644 -20.820 7.256 1.00 25.41 O ATOM 1448 NE2 GLN A 95 23.011 -21.262 8.982 1.00 23.11 N ATOM 0 H GLN A 95 18.872 -24.959 7.150 1.00 23.42 H new ATOM 0 HA GLN A 95 19.669 -22.280 6.575 1.00 74.21 H new ATOM 0 HB2 GLN A 95 20.749 -24.710 7.835 1.00 55.40 H new ATOM 0 HB3 GLN A 95 21.967 -23.827 6.937 1.00 55.40 H new ATOM 0 HG2 GLN A 95 20.148 -22.430 8.912 1.00 54.14 H new ATOM 0 HG3 GLN A 95 21.607 -23.247 9.435 1.00 54.14 H new ATOM 0 HE21 GLN A 95 23.234 -21.871 9.769 1.00 23.11 H new ATOM 0 HE22 GLN A 95 23.598 -20.452 8.782 1.00 23.11 H new ATOM 1457 N GLN A 96 19.844 -24.218 4.155 1.00 20.12 N ATOM 1458 CA GLN A 96 20.287 -24.420 2.781 1.00 42.12 C ATOM 1459 C GLN A 96 19.992 -23.191 1.928 1.00 41.33 C ATOM 1460 O GLN A 96 19.802 -23.294 0.717 1.00 63.24 O ATOM 1461 CB GLN A 96 19.605 -25.649 2.178 1.00 23.41 C ATOM 1462 CG GLN A 96 20.200 -26.967 2.648 1.00 3.22 C ATOM 1463 CD GLN A 96 21.328 -27.449 1.757 1.00 74.22 C ATOM 1464 OE1 GLN A 96 21.176 -27.540 0.538 1.00 14.32 O ATOM 1465 NE2 GLN A 96 22.468 -27.762 2.361 1.00 41.11 N ATOM 0 H GLN A 96 18.988 -24.715 4.400 1.00 20.12 H new ATOM 0 HA GLN A 96 21.365 -24.581 2.794 1.00 42.12 H new ATOM 0 HB2 GLN A 96 18.545 -25.627 2.432 1.00 23.41 H new ATOM 0 HB3 GLN A 96 19.674 -25.596 1.091 1.00 23.41 H new ATOM 0 HG2 GLN A 96 20.571 -26.851 3.666 1.00 3.22 H new ATOM 0 HG3 GLN A 96 19.417 -27.725 2.678 1.00 3.22 H new ATOM 0 HE21 GLN A 96 22.550 -27.672 3.374 1.00 41.11 H new ATOM 0 HE22 GLN A 96 23.262 -28.093 1.812 1.00 41.11 H new ATOM 1474 N GLY A 97 19.955 -22.026 2.569 1.00 75.33 N ATOM 1475 CA GLY A 97 19.681 -20.794 1.853 1.00 44.11 C ATOM 1476 C GLY A 97 18.305 -20.237 2.161 1.00 64.33 C ATOM 1477 O GLY A 97 17.665 -19.636 1.299 1.00 0.53 O ATOM 0 H GLY A 97 20.110 -21.914 3.571 1.00 75.33 H new ATOM 0 HA2 GLY A 97 20.436 -20.052 2.112 1.00 44.11 H new ATOM 0 HA3 GLY A 97 19.765 -20.974 0.781 1.00 44.11 H new ATOM 1481 N ALA A 98 17.849 -20.440 3.392 1.00 11.13 N ATOM 1482 CA ALA A 98 16.540 -19.954 3.812 1.00 43.45 C ATOM 1483 C ALA A 98 16.671 -18.902 4.908 1.00 50.10 C ATOM 1484 O ALA A 98 17.641 -18.899 5.667 1.00 53.55 O ATOM 1485 CB ALA A 98 15.675 -21.111 4.288 1.00 50.10 C ATOM 0 H ALA A 98 18.366 -20.938 4.116 1.00 11.13 H new ATOM 0 HA ALA A 98 16.060 -19.487 2.952 1.00 43.45 H new ATOM 0 HB1 ALA A 98 14.701 -20.733 4.598 1.00 50.10 H new ATOM 0 HB2 ALA A 98 15.545 -21.826 3.476 1.00 50.10 H new ATOM 0 HB3 ALA A 98 16.159 -21.604 5.131 1.00 50.10 H new ATOM 1491 N PHE A 99 15.689 -18.010 4.986 1.00 41.34 N ATOM 1492 CA PHE A 99 15.695 -16.951 5.989 1.00 65.33 C ATOM 1493 C PHE A 99 15.274 -17.492 7.352 1.00 0.51 C ATOM 1494 O PHE A 99 14.507 -18.451 7.442 1.00 44.42 O ATOM 1495 CB PHE A 99 14.762 -15.814 5.567 1.00 21.53 C ATOM 1496 CG PHE A 99 14.416 -14.876 6.688 1.00 63.11 C ATOM 1497 CD1 PHE A 99 15.259 -13.827 7.015 1.00 4.54 C ATOM 1498 CD2 PHE A 99 13.248 -15.044 7.414 1.00 23.03 C ATOM 1499 CE1 PHE A 99 14.944 -12.961 8.046 1.00 40.12 C ATOM 1500 CE2 PHE A 99 12.928 -14.181 8.445 1.00 35.43 C ATOM 1501 CZ PHE A 99 13.777 -13.139 8.762 1.00 31.44 C ATOM 0 H PHE A 99 14.879 -17.999 4.367 1.00 41.34 H new ATOM 0 HA PHE A 99 16.711 -16.565 6.069 1.00 65.33 H new ATOM 0 HB2 PHE A 99 15.232 -15.248 4.763 1.00 21.53 H new ATOM 0 HB3 PHE A 99 13.843 -16.239 5.163 1.00 21.53 H new ATOM 0 HD1 PHE A 99 16.173 -13.684 6.458 1.00 4.54 H new ATOM 0 HD2 PHE A 99 12.581 -15.858 7.172 1.00 23.03 H new ATOM 0 HE1 PHE A 99 15.610 -12.147 8.291 1.00 40.12 H new ATOM 0 HE2 PHE A 99 12.014 -14.322 9.003 1.00 35.43 H new ATOM 0 HZ PHE A 99 13.529 -12.465 9.568 1.00 31.44 H new ATOM 1511 N ASP A 100 15.781 -16.869 8.411 1.00 61.34 N ATOM 1512 CA ASP A 100 15.458 -17.286 9.770 1.00 33.22 C ATOM 1513 C ASP A 100 13.971 -17.600 9.903 1.00 13.22 C ATOM 1514 O ASP A 100 13.129 -16.704 9.837 1.00 53.03 O ATOM 1515 CB ASP A 100 15.853 -16.197 10.768 1.00 2.32 C ATOM 1516 CG ASP A 100 15.819 -16.686 12.203 1.00 45.13 C ATOM 1517 OD1 ASP A 100 16.310 -17.805 12.460 1.00 24.20 O ATOM 1518 OD2 ASP A 100 15.303 -15.949 13.068 1.00 20.04 O ATOM 0 H ASP A 100 16.417 -16.074 8.354 1.00 61.34 H new ATOM 0 HA ASP A 100 16.023 -18.192 9.990 1.00 33.22 H new ATOM 0 HB2 ASP A 100 16.855 -15.839 10.533 1.00 2.32 H new ATOM 0 HB3 ASP A 100 15.178 -15.348 10.661 1.00 2.32 H new ATOM 1523 N TYR A 101 13.655 -18.876 10.090 1.00 22.43 N ATOM 1524 CA TYR A 101 12.270 -19.309 10.229 1.00 14.11 C ATOM 1525 C TYR A 101 11.641 -18.725 11.491 1.00 74.44 C ATOM 1526 O TYR A 101 12.279 -17.970 12.225 1.00 53.43 O ATOM 1527 CB TYR A 101 12.191 -20.836 10.266 1.00 23.02 C ATOM 1528 CG TYR A 101 13.194 -21.471 11.203 1.00 70.21 C ATOM 1529 CD1 TYR A 101 13.248 -21.109 12.543 1.00 32.24 C ATOM 1530 CD2 TYR A 101 14.088 -22.432 10.748 1.00 70.34 C ATOM 1531 CE1 TYR A 101 14.163 -21.686 13.403 1.00 74.21 C ATOM 1532 CE2 TYR A 101 15.005 -23.016 11.600 1.00 0.42 C ATOM 1533 CZ TYR A 101 15.039 -22.639 12.927 1.00 73.23 C ATOM 1534 OH TYR A 101 15.952 -23.217 13.779 1.00 53.02 O ATOM 0 H TYR A 101 14.340 -19.630 10.149 1.00 22.43 H new ATOM 0 HA TYR A 101 11.714 -18.945 9.365 1.00 14.11 H new ATOM 0 HB2 TYR A 101 11.186 -21.132 10.567 1.00 23.02 H new ATOM 0 HB3 TYR A 101 12.350 -21.224 9.260 1.00 23.02 H new ATOM 0 HD1 TYR A 101 12.563 -20.364 12.919 1.00 32.24 H new ATOM 0 HD2 TYR A 101 14.066 -22.728 9.710 1.00 70.34 H new ATOM 0 HE1 TYR A 101 14.192 -21.392 14.442 1.00 74.21 H new ATOM 0 HE2 TYR A 101 15.691 -23.763 11.230 1.00 0.42 H new ATOM 0 HH TYR A 101 15.559 -24.017 14.186 1.00 53.02 H new ATOM 1544 N LEU A 102 10.385 -19.082 11.737 1.00 52.14 N ATOM 1545 CA LEU A 102 9.667 -18.595 12.910 1.00 61.42 C ATOM 1546 C LEU A 102 8.840 -19.709 13.543 1.00 73.52 C ATOM 1547 O LEU A 102 7.898 -20.232 12.947 1.00 73.04 O ATOM 1548 CB LEU A 102 8.760 -17.425 12.528 1.00 54.33 C ATOM 1549 CG LEU A 102 7.632 -17.102 13.508 1.00 35.12 C ATOM 1550 CD1 LEU A 102 8.191 -16.486 14.781 1.00 33.44 C ATOM 1551 CD2 LEU A 102 6.616 -16.170 12.864 1.00 15.13 C ATOM 0 H LEU A 102 9.843 -19.707 11.140 1.00 52.14 H new ATOM 0 HA LEU A 102 10.402 -18.254 13.639 1.00 61.42 H new ATOM 0 HB2 LEU A 102 9.379 -16.535 12.411 1.00 54.33 H new ATOM 0 HB3 LEU A 102 8.319 -17.637 11.554 1.00 54.33 H new ATOM 0 HG LEU A 102 7.127 -18.032 13.770 1.00 35.12 H new ATOM 0 HD11 LEU A 102 7.374 -16.263 15.467 1.00 33.44 H new ATOM 0 HD12 LEU A 102 8.879 -17.187 15.253 1.00 33.44 H new ATOM 0 HD13 LEU A 102 8.722 -15.566 14.537 1.00 33.44 H new ATOM 0 HD21 LEU A 102 5.820 -15.951 13.576 1.00 15.13 H new ATOM 0 HD22 LEU A 102 7.107 -15.242 12.572 1.00 15.13 H new ATOM 0 HD23 LEU A 102 6.191 -16.649 11.982 1.00 15.13 H new ATOM 1563 N PRO A 103 9.197 -20.082 14.781 1.00 53.40 N ATOM 1564 CA PRO A 103 8.498 -21.135 15.523 1.00 22.32 C ATOM 1565 C PRO A 103 7.096 -20.713 15.949 1.00 43.32 C ATOM 1566 O PRO A 103 6.867 -19.558 16.309 1.00 51.23 O ATOM 1567 CB PRO A 103 9.387 -21.353 16.751 1.00 73.15 C ATOM 1568 CG PRO A 103 10.104 -20.060 16.933 1.00 22.30 C ATOM 1569 CD PRO A 103 10.309 -19.502 15.552 1.00 64.00 C ATOM 0 HA PRO A 103 8.353 -22.031 14.919 1.00 22.32 H new ATOM 0 HB2 PRO A 103 8.793 -21.604 17.630 1.00 73.15 H new ATOM 0 HB3 PRO A 103 10.086 -22.175 16.593 1.00 73.15 H new ATOM 0 HG2 PRO A 103 9.522 -19.374 17.548 1.00 22.30 H new ATOM 0 HG3 PRO A 103 11.058 -20.211 17.439 1.00 22.30 H new ATOM 0 HD2 PRO A 103 10.274 -18.413 15.550 1.00 64.00 H new ATOM 0 HD3 PRO A 103 11.276 -19.791 15.141 1.00 64.00 H new ATOM 1577 N LYS A 104 6.161 -21.655 15.906 1.00 73.13 N ATOM 1578 CA LYS A 104 4.781 -21.382 16.288 1.00 15.24 C ATOM 1579 C LYS A 104 4.451 -22.025 17.631 1.00 33.35 C ATOM 1580 O LYS A 104 4.919 -23.117 17.956 1.00 42.22 O ATOM 1581 CB LYS A 104 3.820 -21.897 15.214 1.00 21.53 C ATOM 1582 CG LYS A 104 2.848 -20.844 14.711 1.00 21.32 C ATOM 1583 CD LYS A 104 2.520 -21.045 13.241 1.00 4.21 C ATOM 1584 CE LYS A 104 1.038 -20.844 12.968 1.00 34.32 C ATOM 1585 NZ LYS A 104 0.609 -19.443 13.233 1.00 44.23 N ATOM 0 H LYS A 104 6.334 -22.616 15.610 1.00 73.13 H new ATOM 0 HA LYS A 104 4.664 -20.302 16.383 1.00 15.24 H new ATOM 0 HB2 LYS A 104 4.399 -22.276 14.372 1.00 21.53 H new ATOM 0 HB3 LYS A 104 3.255 -22.738 15.617 1.00 21.53 H new ATOM 0 HG2 LYS A 104 1.931 -20.884 15.298 1.00 21.32 H new ATOM 0 HG3 LYS A 104 3.277 -19.852 14.857 1.00 21.32 H new ATOM 0 HD2 LYS A 104 3.100 -20.346 12.639 1.00 4.21 H new ATOM 0 HD3 LYS A 104 2.814 -22.049 12.935 1.00 4.21 H new ATOM 0 HE2 LYS A 104 0.822 -21.100 11.931 1.00 34.32 H new ATOM 0 HE3 LYS A 104 0.459 -21.525 13.591 1.00 34.32 H new ATOM 0 HZ1 LYS A 104 -0.049 -19.135 12.489 1.00 44.23 H new ATOM 0 HZ2 LYS A 104 0.135 -19.394 14.157 1.00 44.23 H new ATOM 0 HZ3 LYS A 104 1.442 -18.820 13.238 1.00 44.23 H new ATOM 1599 N PRO A 105 3.624 -21.336 18.432 1.00 61.01 N ATOM 1600 CA PRO A 105 3.061 -20.036 18.057 1.00 52.32 C ATOM 1601 C PRO A 105 4.114 -18.933 18.031 1.00 20.24 C ATOM 1602 O PRO A 105 5.288 -19.176 18.314 1.00 53.55 O ATOM 1603 CB PRO A 105 2.030 -19.765 19.156 1.00 61.33 C ATOM 1604 CG PRO A 105 2.513 -20.546 20.329 1.00 63.43 C ATOM 1605 CD PRO A 105 3.176 -21.773 19.765 1.00 43.30 C ATOM 0 HA PRO A 105 2.639 -20.050 17.052 1.00 52.32 H new ATOM 0 HB2 PRO A 105 1.968 -18.702 19.387 1.00 61.33 H new ATOM 0 HB3 PRO A 105 1.033 -20.084 18.851 1.00 61.33 H new ATOM 0 HG2 PRO A 105 3.215 -19.962 20.924 1.00 63.43 H new ATOM 0 HG3 PRO A 105 1.686 -20.816 20.985 1.00 63.43 H new ATOM 0 HD2 PRO A 105 4.013 -22.098 20.384 1.00 43.30 H new ATOM 0 HD3 PRO A 105 2.482 -22.611 19.701 1.00 43.30 H new ATOM 1613 N PHE A 106 3.687 -17.721 17.692 1.00 23.31 N ATOM 1614 CA PHE A 106 4.594 -16.581 17.629 1.00 23.25 C ATOM 1615 C PHE A 106 3.843 -15.275 17.868 1.00 52.34 C ATOM 1616 O PHE A 106 2.613 -15.235 17.816 1.00 4.11 O ATOM 1617 CB PHE A 106 5.299 -16.537 16.272 1.00 22.12 C ATOM 1618 CG PHE A 106 4.353 -16.460 15.108 1.00 45.52 C ATOM 1619 CD1 PHE A 106 3.665 -15.289 14.834 1.00 1.32 C ATOM 1620 CD2 PHE A 106 4.153 -17.558 14.287 1.00 14.22 C ATOM 1621 CE1 PHE A 106 2.794 -15.214 13.763 1.00 3.23 C ATOM 1622 CE2 PHE A 106 3.284 -17.489 13.215 1.00 54.32 C ATOM 1623 CZ PHE A 106 2.603 -16.316 12.953 1.00 13.32 C ATOM 0 H PHE A 106 2.719 -17.503 17.457 1.00 23.31 H new ATOM 0 HA PHE A 106 5.341 -16.699 18.414 1.00 23.25 H new ATOM 0 HB2 PHE A 106 5.966 -15.675 16.246 1.00 22.12 H new ATOM 0 HB3 PHE A 106 5.922 -17.425 16.166 1.00 22.12 H new ATOM 0 HD1 PHE A 106 3.811 -14.424 15.465 1.00 1.32 H new ATOM 0 HD2 PHE A 106 4.682 -18.478 14.487 1.00 14.22 H new ATOM 0 HE1 PHE A 106 2.264 -14.295 13.560 1.00 3.23 H new ATOM 0 HE2 PHE A 106 3.137 -18.352 12.582 1.00 54.32 H new ATOM 0 HZ PHE A 106 1.922 -16.261 12.116 1.00 13.32 H new ATOM 1633 N ASP A 107 4.591 -14.208 18.129 1.00 73.41 N ATOM 1634 CA ASP A 107 3.997 -12.899 18.375 1.00 74.42 C ATOM 1635 C ASP A 107 3.748 -12.161 17.064 1.00 41.54 C ATOM 1636 O ASP A 107 4.689 -11.801 16.355 1.00 55.13 O ATOM 1637 CB ASP A 107 4.904 -12.066 19.280 1.00 5.43 C ATOM 1638 CG ASP A 107 4.935 -12.584 20.705 1.00 53.42 C ATOM 1639 OD1 ASP A 107 3.853 -12.889 21.248 1.00 54.22 O ATOM 1640 OD2 ASP A 107 6.041 -12.683 21.277 1.00 15.11 O ATOM 0 H ASP A 107 5.610 -14.224 18.176 1.00 73.41 H new ATOM 0 HA ASP A 107 3.040 -13.049 18.874 1.00 74.42 H new ATOM 0 HB2 ASP A 107 5.916 -12.066 18.875 1.00 5.43 H new ATOM 0 HB3 ASP A 107 4.561 -11.031 19.280 1.00 5.43 H new ATOM 1645 N ILE A 108 2.477 -11.939 16.747 1.00 12.43 N ATOM 1646 CA ILE A 108 2.105 -11.243 15.521 1.00 3.25 C ATOM 1647 C ILE A 108 2.935 -9.977 15.335 1.00 64.34 C ATOM 1648 O ILE A 108 3.409 -9.690 14.235 1.00 11.11 O ATOM 1649 CB ILE A 108 0.611 -10.869 15.517 1.00 4.42 C ATOM 1650 CG1 ILE A 108 -0.240 -12.082 15.138 1.00 64.25 C ATOM 1651 CG2 ILE A 108 0.357 -9.715 14.558 1.00 70.51 C ATOM 1652 CD1 ILE A 108 -1.636 -12.047 15.719 1.00 25.11 C ATOM 0 H ILE A 108 1.687 -12.231 17.322 1.00 12.43 H new ATOM 0 HA ILE A 108 2.302 -11.928 14.697 1.00 3.25 H new ATOM 0 HB ILE A 108 0.328 -10.551 16.520 1.00 4.42 H new ATOM 0 HG12 ILE A 108 -0.309 -12.142 14.052 1.00 64.25 H new ATOM 0 HG13 ILE A 108 0.263 -12.988 15.476 1.00 64.25 H new ATOM 0 HG21 ILE A 108 -0.703 -9.462 14.566 1.00 70.51 H new ATOM 0 HG22 ILE A 108 0.939 -8.848 14.870 1.00 70.51 H new ATOM 0 HG23 ILE A 108 0.653 -10.007 13.550 1.00 70.51 H new ATOM 0 HD11 ILE A 108 -2.182 -12.938 15.409 1.00 25.11 H new ATOM 0 HD12 ILE A 108 -1.577 -12.018 16.807 1.00 25.11 H new ATOM 0 HD13 ILE A 108 -2.157 -11.159 15.361 1.00 25.11 H new ATOM 1664 N ASP A 109 3.109 -9.225 16.416 1.00 61.41 N ATOM 1665 CA ASP A 109 3.885 -7.991 16.373 1.00 70.45 C ATOM 1666 C ASP A 109 5.254 -8.232 15.743 1.00 13.14 C ATOM 1667 O ASP A 109 5.749 -7.405 14.978 1.00 31.41 O ATOM 1668 CB ASP A 109 4.051 -7.418 17.781 1.00 73.32 C ATOM 1669 CG ASP A 109 2.866 -6.574 18.205 1.00 14.53 C ATOM 1670 OD1 ASP A 109 1.930 -6.412 17.393 1.00 23.24 O ATOM 1671 OD2 ASP A 109 2.873 -6.074 19.350 1.00 70.32 O ATOM 0 H ASP A 109 2.723 -9.448 17.333 1.00 61.41 H new ATOM 0 HA ASP A 109 3.344 -7.272 15.759 1.00 70.45 H new ATOM 0 HB2 ASP A 109 4.183 -8.236 18.490 1.00 73.32 H new ATOM 0 HB3 ASP A 109 4.957 -6.813 17.820 1.00 73.32 H new ATOM 1676 N GLU A 110 5.859 -9.369 16.073 1.00 44.42 N ATOM 1677 CA GLU A 110 7.172 -9.716 15.541 1.00 50.10 C ATOM 1678 C GLU A 110 7.053 -10.292 14.133 1.00 45.53 C ATOM 1679 O GLU A 110 7.961 -10.149 13.314 1.00 23.32 O ATOM 1680 CB GLU A 110 7.868 -10.723 16.459 1.00 64.05 C ATOM 1681 CG GLU A 110 8.903 -10.095 17.378 1.00 75.12 C ATOM 1682 CD GLU A 110 10.318 -10.525 17.044 1.00 52.13 C ATOM 1683 OE1 GLU A 110 10.799 -10.177 15.945 1.00 1.41 O ATOM 1684 OE2 GLU A 110 10.944 -11.209 17.880 1.00 74.33 O ATOM 0 H GLU A 110 5.462 -10.064 16.705 1.00 44.42 H new ATOM 0 HA GLU A 110 7.769 -8.805 15.493 1.00 50.10 H new ATOM 0 HB2 GLU A 110 7.117 -11.230 17.065 1.00 64.05 H new ATOM 0 HB3 GLU A 110 8.352 -11.485 15.848 1.00 64.05 H new ATOM 0 HG2 GLU A 110 8.832 -9.009 17.311 1.00 75.12 H new ATOM 0 HG3 GLU A 110 8.679 -10.366 18.410 1.00 75.12 H new ATOM 1691 N ALA A 111 5.928 -10.942 13.859 1.00 73.52 N ATOM 1692 CA ALA A 111 5.689 -11.539 12.550 1.00 11.52 C ATOM 1693 C ALA A 111 5.540 -10.465 11.477 1.00 64.40 C ATOM 1694 O ALA A 111 6.264 -10.465 10.481 1.00 1.31 O ATOM 1695 CB ALA A 111 4.451 -12.422 12.591 1.00 70.24 C ATOM 0 H ALA A 111 5.167 -11.069 14.526 1.00 73.52 H new ATOM 0 HA ALA A 111 6.552 -12.154 12.295 1.00 11.52 H new ATOM 0 HB1 ALA A 111 4.285 -12.861 11.607 1.00 70.24 H new ATOM 0 HB2 ALA A 111 4.595 -13.216 13.323 1.00 70.24 H new ATOM 0 HB3 ALA A 111 3.585 -11.822 12.872 1.00 70.24 H new ATOM 1701 N VAL A 112 4.597 -9.553 11.686 1.00 50.50 N ATOM 1702 CA VAL A 112 4.354 -8.473 10.736 1.00 33.33 C ATOM 1703 C VAL A 112 5.646 -7.738 10.397 1.00 74.30 C ATOM 1704 O VAL A 112 5.834 -7.281 9.270 1.00 13.43 O ATOM 1705 CB VAL A 112 3.330 -7.462 11.286 1.00 71.32 C ATOM 1706 CG1 VAL A 112 3.374 -6.169 10.486 1.00 30.20 C ATOM 1707 CG2 VAL A 112 1.931 -8.060 11.272 1.00 62.12 C ATOM 0 H VAL A 112 3.988 -9.540 12.504 1.00 50.50 H new ATOM 0 HA VAL A 112 3.952 -8.931 9.832 1.00 33.33 H new ATOM 0 HB VAL A 112 3.591 -7.231 12.319 1.00 71.32 H new ATOM 0 HG11 VAL A 112 2.644 -5.467 10.889 1.00 30.20 H new ATOM 0 HG12 VAL A 112 4.371 -5.734 10.552 1.00 30.20 H new ATOM 0 HG13 VAL A 112 3.138 -6.379 9.443 1.00 30.20 H new ATOM 0 HG21 VAL A 112 1.220 -7.332 11.664 1.00 62.12 H new ATOM 0 HG22 VAL A 112 1.657 -8.321 10.250 1.00 62.12 H new ATOM 0 HG23 VAL A 112 1.912 -8.956 11.892 1.00 62.12 H new ATOM 1717 N ALA A 113 6.534 -7.629 11.380 1.00 74.42 N ATOM 1718 CA ALA A 113 7.810 -6.952 11.185 1.00 75.22 C ATOM 1719 C ALA A 113 8.845 -7.895 10.582 1.00 61.30 C ATOM 1720 O ALA A 113 9.786 -7.458 9.918 1.00 70.22 O ATOM 1721 CB ALA A 113 8.313 -6.386 12.504 1.00 4.21 C ATOM 0 H ALA A 113 6.393 -8.001 12.319 1.00 74.42 H new ATOM 0 HA ALA A 113 7.655 -6.131 10.485 1.00 75.22 H new ATOM 0 HB1 ALA A 113 9.267 -5.883 12.344 1.00 4.21 H new ATOM 0 HB2 ALA A 113 7.587 -5.672 12.894 1.00 4.21 H new ATOM 0 HB3 ALA A 113 8.446 -7.196 13.221 1.00 4.21 H new ATOM 1727 N LEU A 114 8.667 -9.190 10.818 1.00 70.54 N ATOM 1728 CA LEU A 114 9.587 -10.196 10.298 1.00 20.30 C ATOM 1729 C LEU A 114 9.516 -10.265 8.776 1.00 51.21 C ATOM 1730 O LEU A 114 10.542 -10.331 8.098 1.00 14.43 O ATOM 1731 CB LEU A 114 9.267 -11.567 10.897 1.00 13.11 C ATOM 1732 CG LEU A 114 10.153 -12.724 10.437 1.00 64.43 C ATOM 1733 CD1 LEU A 114 11.510 -12.662 11.121 1.00 63.23 C ATOM 1734 CD2 LEU A 114 9.475 -14.058 10.713 1.00 24.44 C ATOM 0 H LEU A 114 7.894 -9.568 11.366 1.00 70.54 H new ATOM 0 HA LEU A 114 10.599 -9.908 10.583 1.00 20.30 H new ATOM 0 HB2 LEU A 114 9.336 -11.492 11.982 1.00 13.11 H new ATOM 0 HB3 LEU A 114 8.232 -11.812 10.660 1.00 13.11 H new ATOM 0 HG LEU A 114 10.307 -12.633 9.362 1.00 64.43 H new ATOM 0 HD11 LEU A 114 12.127 -13.494 10.781 1.00 63.23 H new ATOM 0 HD12 LEU A 114 12.000 -11.721 10.872 1.00 63.23 H new ATOM 0 HD13 LEU A 114 11.376 -12.727 12.201 1.00 63.23 H new ATOM 0 HD21 LEU A 114 10.121 -14.870 10.379 1.00 24.44 H new ATOM 0 HD22 LEU A 114 9.290 -14.158 11.783 1.00 24.44 H new ATOM 0 HD23 LEU A 114 8.528 -14.103 10.175 1.00 24.44 H new ATOM 1746 N VAL A 115 8.298 -10.247 8.244 1.00 12.30 N ATOM 1747 CA VAL A 115 8.092 -10.303 6.802 1.00 64.33 C ATOM 1748 C VAL A 115 8.665 -9.068 6.116 1.00 1.22 C ATOM 1749 O VAL A 115 9.250 -9.160 5.038 1.00 62.13 O ATOM 1750 CB VAL A 115 6.597 -10.424 6.452 1.00 63.31 C ATOM 1751 CG1 VAL A 115 5.807 -9.289 7.085 1.00 41.04 C ATOM 1752 CG2 VAL A 115 6.403 -10.444 4.943 1.00 4.13 C ATOM 0 H VAL A 115 7.439 -10.194 8.791 1.00 12.30 H new ATOM 0 HA VAL A 115 8.614 -11.190 6.443 1.00 64.33 H new ATOM 0 HB VAL A 115 6.222 -11.365 6.856 1.00 63.31 H new ATOM 0 HG11 VAL A 115 4.753 -9.391 6.827 1.00 41.04 H new ATOM 0 HG12 VAL A 115 5.920 -9.327 8.168 1.00 41.04 H new ATOM 0 HG13 VAL A 115 6.181 -8.335 6.714 1.00 41.04 H new ATOM 0 HG21 VAL A 115 5.341 -10.530 4.714 1.00 4.13 H new ATOM 0 HG22 VAL A 115 6.793 -9.521 4.514 1.00 4.13 H new ATOM 0 HG23 VAL A 115 6.936 -11.295 4.519 1.00 4.13 H new ATOM 1762 N GLU A 116 8.492 -7.912 6.750 1.00 24.33 N ATOM 1763 CA GLU A 116 8.992 -6.658 6.200 1.00 3.34 C ATOM 1764 C GLU A 116 10.504 -6.717 5.997 1.00 55.20 C ATOM 1765 O GLU A 116 11.051 -6.032 5.133 1.00 63.34 O ATOM 1766 CB GLU A 116 8.636 -5.492 7.125 1.00 3.13 C ATOM 1767 CG GLU A 116 7.777 -4.429 6.462 1.00 43.23 C ATOM 1768 CD GLU A 116 8.442 -3.819 5.243 1.00 1.40 C ATOM 1769 OE1 GLU A 116 9.262 -2.893 5.415 1.00 50.31 O ATOM 1770 OE2 GLU A 116 8.142 -4.268 4.117 1.00 50.10 O ATOM 0 H GLU A 116 8.010 -7.818 7.644 1.00 24.33 H new ATOM 0 HA GLU A 116 8.518 -6.502 5.231 1.00 3.34 H new ATOM 0 HB2 GLU A 116 8.110 -5.879 7.998 1.00 3.13 H new ATOM 0 HB3 GLU A 116 9.556 -5.031 7.485 1.00 3.13 H new ATOM 0 HG2 GLU A 116 6.823 -4.868 6.169 1.00 43.23 H new ATOM 0 HG3 GLU A 116 7.558 -3.642 7.184 1.00 43.23 H new ATOM 1777 N ARG A 117 11.171 -7.539 6.800 1.00 40.02 N ATOM 1778 CA ARG A 117 12.619 -7.687 6.710 1.00 53.52 C ATOM 1779 C ARG A 117 13.008 -8.482 5.467 1.00 51.51 C ATOM 1780 O ARG A 117 14.107 -8.324 4.936 1.00 53.41 O ATOM 1781 CB ARG A 117 13.161 -8.379 7.962 1.00 51.24 C ATOM 1782 CG ARG A 117 14.584 -8.891 7.806 1.00 14.14 C ATOM 1783 CD ARG A 117 15.375 -8.736 9.096 1.00 42.15 C ATOM 1784 NE ARG A 117 15.725 -7.343 9.359 1.00 43.33 N ATOM 1785 CZ ARG A 117 16.679 -6.688 8.705 1.00 74.42 C ATOM 1786 NH1 ARG A 117 17.373 -7.298 7.754 1.00 51.13 N ATOM 1787 NH2 ARG A 117 16.939 -5.421 9.001 1.00 33.54 N ATOM 0 H ARG A 117 10.732 -8.113 7.520 1.00 40.02 H new ATOM 0 HA ARG A 117 13.057 -6.692 6.635 1.00 53.52 H new ATOM 0 HB2 ARG A 117 13.125 -7.680 8.798 1.00 51.24 H new ATOM 0 HB3 ARG A 117 12.509 -9.215 8.216 1.00 51.24 H new ATOM 0 HG2 ARG A 117 14.564 -9.941 7.514 1.00 14.14 H new ATOM 0 HG3 ARG A 117 15.082 -8.346 7.004 1.00 14.14 H new ATOM 0 HD2 ARG A 117 14.790 -9.126 9.929 1.00 42.15 H new ATOM 0 HD3 ARG A 117 16.285 -9.334 9.037 1.00 42.15 H new ATOM 0 HE ARG A 117 15.209 -6.845 10.084 1.00 43.33 H new ATOM 0 HH11 ARG A 117 17.175 -8.272 7.523 1.00 51.13 H new ATOM 0 HH12 ARG A 117 18.105 -6.794 7.253 1.00 51.13 H new ATOM 0 HH21 ARG A 117 16.407 -4.948 9.731 1.00 33.54 H new ATOM 0 HH22 ARG A 117 17.671 -4.920 8.498 1.00 33.54 H new ATOM 1801 N ALA A 118 12.099 -9.336 5.009 1.00 22.40 N ATOM 1802 CA ALA A 118 12.347 -10.155 3.828 1.00 14.34 C ATOM 1803 C ALA A 118 12.098 -9.362 2.549 1.00 23.44 C ATOM 1804 O ALA A 118 12.786 -9.554 1.546 1.00 1.02 O ATOM 1805 CB ALA A 118 11.474 -11.401 3.858 1.00 50.24 C ATOM 0 H ALA A 118 11.184 -9.479 5.437 1.00 22.40 H new ATOM 0 HA ALA A 118 13.394 -10.458 3.838 1.00 14.34 H new ATOM 0 HB1 ALA A 118 11.669 -12.003 2.971 1.00 50.24 H new ATOM 0 HB2 ALA A 118 11.703 -11.984 4.750 1.00 50.24 H new ATOM 0 HB3 ALA A 118 10.424 -11.109 3.875 1.00 50.24 H new ATOM 1811 N ILE A 119 11.112 -8.473 2.592 1.00 73.41 N ATOM 1812 CA ILE A 119 10.774 -7.652 1.436 1.00 73.30 C ATOM 1813 C ILE A 119 11.673 -6.424 1.352 1.00 1.34 C ATOM 1814 O ILE A 119 12.256 -6.139 0.307 1.00 45.33 O ATOM 1815 CB ILE A 119 9.303 -7.196 1.480 1.00 23.20 C ATOM 1816 CG1 ILE A 119 8.369 -8.406 1.419 1.00 61.45 C ATOM 1817 CG2 ILE A 119 9.012 -6.237 0.336 1.00 51.40 C ATOM 1818 CD1 ILE A 119 6.979 -8.124 1.944 1.00 50.12 C ATOM 0 H ILE A 119 10.533 -8.303 3.414 1.00 73.41 H new ATOM 0 HA ILE A 119 10.927 -8.272 0.553 1.00 73.30 H new ATOM 0 HB ILE A 119 9.128 -6.673 2.420 1.00 23.20 H new ATOM 0 HG12 ILE A 119 8.296 -8.747 0.386 1.00 61.45 H new ATOM 0 HG13 ILE A 119 8.807 -9.222 1.994 1.00 61.45 H new ATOM 0 HG21 ILE A 119 7.969 -5.924 0.380 1.00 51.40 H new ATOM 0 HG22 ILE A 119 9.658 -5.363 0.421 1.00 51.40 H new ATOM 0 HG23 ILE A 119 9.201 -6.736 -0.614 1.00 51.40 H new ATOM 0 HD11 ILE A 119 6.372 -9.026 1.870 1.00 50.12 H new ATOM 0 HD12 ILE A 119 7.040 -7.812 2.987 1.00 50.12 H new ATOM 0 HD13 ILE A 119 6.521 -7.330 1.354 1.00 50.12 H new ATOM 1830 N SER A 120 11.782 -5.700 2.462 1.00 31.22 N ATOM 1831 CA SER A 120 12.609 -4.500 2.514 1.00 21.54 C ATOM 1832 C SER A 120 14.047 -4.814 2.111 1.00 54.34 C ATOM 1833 O SER A 120 14.779 -3.938 1.648 1.00 32.13 O ATOM 1834 CB SER A 120 12.582 -3.898 3.920 1.00 1.33 C ATOM 1835 OG SER A 120 13.015 -2.548 3.905 1.00 31.30 O ATOM 0 H SER A 120 11.308 -5.924 3.337 1.00 31.22 H new ATOM 0 HA SER A 120 12.202 -3.776 1.808 1.00 21.54 H new ATOM 0 HB2 SER A 120 11.571 -3.955 4.324 1.00 1.33 H new ATOM 0 HB3 SER A 120 13.223 -4.481 4.581 1.00 1.33 H new ATOM 0 HG SER A 120 12.987 -2.185 4.815 1.00 31.30 H new ATOM 1841 N HIS A 121 14.444 -6.070 2.289 1.00 44.53 N ATOM 1842 CA HIS A 121 15.794 -6.500 1.943 1.00 63.33 C ATOM 1843 C HIS A 121 16.113 -6.172 0.487 1.00 0.02 C ATOM 1844 O HIS A 121 17.276 -6.001 0.119 1.00 35.22 O ATOM 1845 CB HIS A 121 15.951 -8.002 2.185 1.00 2.32 C ATOM 1846 CG HIS A 121 17.371 -8.474 2.116 1.00 33.51 C ATOM 1847 ND1 HIS A 121 17.918 -9.050 0.989 1.00 21.52 N ATOM 1848 CD2 HIS A 121 18.357 -8.452 3.043 1.00 62.44 C ATOM 1849 CE1 HIS A 121 19.179 -9.364 1.226 1.00 43.10 C ATOM 1850 NE2 HIS A 121 19.471 -9.011 2.465 1.00 52.11 N ATOM 0 H HIS A 121 13.851 -6.807 2.670 1.00 44.53 H new ATOM 0 HA HIS A 121 16.495 -5.961 2.581 1.00 63.33 H new ATOM 0 HB2 HIS A 121 15.542 -8.249 3.165 1.00 2.32 H new ATOM 0 HB3 HIS A 121 15.360 -8.544 1.447 1.00 2.32 H new ATOM 0 HD2 HIS A 121 18.282 -8.067 4.049 1.00 62.44 H new ATOM 0 HE1 HIS A 121 19.856 -9.830 0.526 1.00 43.10 H new ATOM 0 HE2 HIS A 121 20.376 -9.134 2.919 1.00 52.11 H new ATOM 1858 N TYR A 122 15.074 -6.086 -0.336 1.00 30.11 N ATOM 1859 CA TYR A 122 15.244 -5.782 -1.752 1.00 14.43 C ATOM 1860 C TYR A 122 14.809 -4.351 -2.057 1.00 65.31 C ATOM 1861 O TYR A 122 15.587 -3.555 -2.582 1.00 53.33 O ATOM 1862 CB TYR A 122 14.440 -6.764 -2.606 1.00 1.31 C ATOM 1863 CG TYR A 122 14.580 -8.204 -2.166 1.00 42.44 C ATOM 1864 CD1 TYR A 122 15.766 -8.899 -2.367 1.00 61.44 C ATOM 1865 CD2 TYR A 122 13.527 -8.869 -1.551 1.00 51.33 C ATOM 1866 CE1 TYR A 122 15.899 -10.215 -1.968 1.00 73.33 C ATOM 1867 CE2 TYR A 122 13.651 -10.184 -1.148 1.00 10.14 C ATOM 1868 CZ TYR A 122 14.839 -10.853 -1.358 1.00 54.04 C ATOM 1869 OH TYR A 122 14.966 -12.164 -0.959 1.00 14.30 O ATOM 0 H TYR A 122 14.105 -6.222 -0.047 1.00 30.11 H new ATOM 0 HA TYR A 122 16.302 -5.881 -1.995 1.00 14.43 H new ATOM 0 HB2 TYR A 122 13.387 -6.484 -2.573 1.00 1.31 H new ATOM 0 HB3 TYR A 122 14.761 -6.677 -3.644 1.00 1.31 H new ATOM 0 HD1 TYR A 122 16.598 -8.402 -2.843 1.00 61.44 H new ATOM 0 HD2 TYR A 122 12.595 -8.349 -1.385 1.00 51.33 H new ATOM 0 HE1 TYR A 122 16.828 -10.741 -2.133 1.00 73.33 H new ATOM 0 HE2 TYR A 122 12.822 -10.686 -0.671 1.00 10.14 H new ATOM 0 HH TYR A 122 14.991 -12.745 -1.748 1.00 14.30 H new ATOM 1879 N GLN A 123 13.563 -4.034 -1.723 1.00 73.23 N ATOM 1880 CA GLN A 123 13.024 -2.700 -1.962 1.00 23.34 C ATOM 1881 C GLN A 123 13.158 -1.829 -0.717 1.00 33.00 C ATOM 1882 O GLN A 123 12.203 -1.173 -0.303 1.00 12.15 O ATOM 1883 CB GLN A 123 11.556 -2.788 -2.383 1.00 3.54 C ATOM 1884 CG GLN A 123 11.328 -3.638 -3.622 1.00 22.35 C ATOM 1885 CD GLN A 123 9.858 -3.882 -3.900 1.00 20.05 C ATOM 1886 OE1 GLN A 123 9.162 -3.013 -4.426 1.00 35.54 O ATOM 1887 NE2 GLN A 123 9.377 -5.069 -3.547 1.00 43.40 N ATOM 0 H GLN A 123 12.907 -4.682 -1.286 1.00 73.23 H new ATOM 0 HA GLN A 123 13.598 -2.242 -2.767 1.00 23.34 H new ATOM 0 HB2 GLN A 123 10.974 -3.200 -1.558 1.00 3.54 H new ATOM 0 HB3 GLN A 123 11.179 -1.782 -2.568 1.00 3.54 H new ATOM 0 HG2 GLN A 123 11.780 -3.146 -4.483 1.00 22.35 H new ATOM 0 HG3 GLN A 123 11.834 -4.595 -3.499 1.00 22.35 H new ATOM 0 HE21 GLN A 123 9.990 -5.759 -3.114 1.00 43.40 H new ATOM 0 HE22 GLN A 123 8.395 -5.290 -3.709 1.00 43.40 H new ATOM 1896 N GLU A 124 14.348 -1.829 -0.126 1.00 4.43 N ATOM 1897 CA GLU A 124 14.605 -1.038 1.073 1.00 61.43 C ATOM 1898 C GLU A 124 14.306 0.437 0.826 1.00 50.43 C ATOM 1899 O GLU A 124 14.764 1.017 -0.159 1.00 15.14 O ATOM 1900 CB GLU A 124 16.058 -1.208 1.520 1.00 5.53 C ATOM 1901 CG GLU A 124 16.207 -1.515 3.001 1.00 45.41 C ATOM 1902 CD GLU A 124 17.337 -0.736 3.647 1.00 21.43 C ATOM 1903 OE1 GLU A 124 17.089 0.396 4.112 1.00 73.33 O ATOM 1904 OE2 GLU A 124 18.470 -1.261 3.689 1.00 50.32 O ATOM 0 H GLU A 124 15.149 -2.367 -0.457 1.00 4.43 H new ATOM 0 HA GLU A 124 13.945 -1.397 1.863 1.00 61.43 H new ATOM 0 HB2 GLU A 124 16.515 -2.012 0.943 1.00 5.53 H new ATOM 0 HB3 GLU A 124 16.609 -0.297 1.289 1.00 5.53 H new ATOM 0 HG2 GLU A 124 15.272 -1.284 3.512 1.00 45.41 H new ATOM 0 HG3 GLU A 124 16.386 -2.582 3.131 1.00 45.41 H new TER 1911 GLU A 124