USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 896 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 ASN :FLIP amide:sc= -6.41! C(o=-23!,f=-21!) USER MOD Set 1.2: A 16 CYS SG : rot -112:sc= -12.7! USER MOD Set 1.3: A 130 MET CE :methyl -152:sc= -1.53 (180deg=-5.68!) USER MOD Set 2.1: A 103 THR OG1 : rot -86:sc= -0.333 USER MOD Set 2.2: A 127 CYS SG : rot 134:sc= 0.29 USER MOD Set 3.1: A 105 THR OG1 : rot -93:sc= 1.13 USER MOD Set 3.2: A 108 THR OG1 : rot 82:sc= 0.401 USER MOD Set 4.1: A 15 THR OG1 : rot 6:sc= 0.498 USER MOD Set 4.2: A 126 LYS NZ :NH3+ 178:sc= -0.735 (180deg=-0.76) USER MOD Set 5.1: A 6 TYR OH : rot 165:sc= -2.55! USER MOD Set 5.2: A 133 HIS :FLIP no HD1:sc= -5.33! C(o=-9!,f=-7.9!) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 146:sc= -0.13 (180deg=-1.72!) USER MOD Single : A 17 GLN : amide:sc= -0.898 K(o=-0.9,f=-2!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -138:sc= 0.12 (180deg=-1.92!) USER MOD Single : A 27 SER OG : rot 36:sc= 0.161 USER MOD Single : A 29 SER OG : rot 103:sc= 0.779 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 50:sc= 1.17 USER MOD Single : A 41 ASN : amide:sc=-6.43e-05 X(o=-6.4e-05,f=-0.12) USER MOD Single : A 43 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -5.5! C(o=-5.5!,f=-10!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -4.14! USER MOD Single : A 68 GLN : amide:sc= -1.62 X(o=-1.6,f=-2) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot -63:sc= -2.75 USER MOD Single : A 71 SER OG : rot -67:sc= -3.79! USER MOD Single : A 76 SER OG : rot 12:sc= 0.0498 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -135:sc= -6.59! (180deg=-10.6!) USER MOD Single : A 89 THR OG1 : rot -14:sc= 0.939! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.157! F(o=-2,f=-0.16!) USER MOD Single : A 101 THR OG1 : rot -88:sc= -1.76 USER MOD Single : A 104 LYS NZ :NH3+ -154:sc= -0.617 (180deg=-1.65!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl -142:sc= 0 (180deg=-0.223) USER MOD Single : A 124 ASN : amide:sc= -1.56 K(o=-1.6,f=-3.1!) USER MOD Single : A 125 LYS NZ :NH3+ 162:sc= 0.109 (180deg=0.0405) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 57:sc= 0.69 USER MOD Single : A 137 SER OG : rot -44:sc= 0.622 USER MOD Single : A 138 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N TRP A 3 -17.404 14.305 0.914 1.00 0.00 N ATOM 21 CA TRP A 3 -16.998 13.132 0.079 1.00 0.00 C ATOM 22 C TRP A 3 -17.537 13.318 -1.360 1.00 0.00 C ATOM 23 O TRP A 3 -16.839 13.074 -2.342 1.00 0.00 O ATOM 24 CB TRP A 3 -17.608 11.904 0.657 1.00 0.00 C ATOM 25 CG TRP A 3 -16.723 11.242 1.684 1.00 0.00 C ATOM 26 CD1 TRP A 3 -17.097 10.137 2.316 1.00 0.00 C ATOM 27 CD2 TRP A 3 -15.367 11.571 2.208 1.00 0.00 C ATOM 28 NE1 TRP A 3 -16.122 9.749 3.207 1.00 0.00 N ATOM 29 CE2 TRP A 3 -15.040 10.588 3.181 1.00 0.00 C ATOM 30 CE3 TRP A 3 -14.399 12.595 1.965 1.00 0.00 C ATOM 31 CZ2 TRP A 3 -13.839 10.606 3.874 1.00 0.00 C ATOM 32 CZ3 TRP A 3 -13.186 12.592 2.673 1.00 0.00 C ATOM 33 CH2 TRP A 3 -12.914 11.601 3.623 1.00 0.00 C ATOM 0 HA TRP A 3 -15.911 13.049 0.061 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -18.563 12.159 1.117 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -17.819 11.196 -0.145 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -18.030 9.618 2.155 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -16.197 8.933 3.815 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -14.600 13.369 1.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -13.627 9.843 4.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -12.455 13.363 2.482 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -11.978 11.614 4.162 1.00 0.00 H new ATOM 44 N ASN A 4 -18.799 13.741 -1.473 1.00 0.00 N ATOM 45 CA ASN A 4 -19.435 13.942 -2.821 1.00 0.00 C ATOM 46 C ASN A 4 -18.662 14.983 -3.622 1.00 0.00 C ATOM 47 O ASN A 4 -18.708 14.983 -4.830 1.00 0.00 O ATOM 48 CB ASN A 4 -20.886 14.400 -2.651 1.00 0.00 C ATOM 49 CG ASN A 4 -21.711 13.262 -2.052 1.00 0.00 C ATOM 50 OD1 ASN A 4 -21.953 13.231 -0.862 1.00 0.00 O ATOM 51 ND2 ASN A 4 -22.156 12.320 -2.834 1.00 0.00 N ATOM 0 H ASN A 4 -19.406 13.952 -0.681 1.00 0.00 H new ATOM 0 HA ASN A 4 -19.415 12.994 -3.359 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -20.929 15.275 -2.003 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -21.301 14.696 -3.615 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -22.709 11.555 -2.447 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -21.952 12.348 -3.833 1.00 0.00 H new ATOM 58 N ALA A 5 -17.950 15.856 -2.942 1.00 0.00 N ATOM 59 CA ALA A 5 -17.115 16.920 -3.632 1.00 0.00 C ATOM 60 C ALA A 5 -15.913 16.230 -4.277 1.00 0.00 C ATOM 61 O ALA A 5 -15.502 16.556 -5.398 1.00 0.00 O ATOM 62 CB ALA A 5 -16.620 17.935 -2.603 1.00 0.00 C ATOM 0 H ALA A 5 -17.906 15.883 -1.923 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.711 17.439 -4.383 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -16.021 18.697 -3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -17.474 18.406 -2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -16.011 17.427 -1.855 1.00 0.00 H new ATOM 68 N TYR A 6 -15.368 15.237 -3.599 1.00 0.00 N ATOM 69 CA TYR A 6 -14.216 14.464 -4.192 1.00 0.00 C ATOM 70 C TYR A 6 -14.781 13.560 -5.292 1.00 0.00 C ATOM 71 O TYR A 6 -14.071 13.083 -6.137 1.00 0.00 O ATOM 72 CB TYR A 6 -13.457 13.731 -3.091 1.00 0.00 C ATOM 73 CG TYR A 6 -13.183 14.786 -2.074 1.00 0.00 C ATOM 74 CD1 TYR A 6 -12.199 15.753 -2.299 1.00 0.00 C ATOM 75 CD2 TYR A 6 -14.012 14.875 -0.990 1.00 0.00 C ATOM 76 CE1 TYR A 6 -12.069 16.822 -1.414 1.00 0.00 C ATOM 77 CE2 TYR A 6 -13.876 15.910 -0.086 1.00 0.00 C ATOM 78 CZ TYR A 6 -12.909 16.900 -0.299 1.00 0.00 C ATOM 79 OH TYR A 6 -12.822 17.978 0.549 1.00 0.00 O ATOM 0 H TYR A 6 -15.666 14.931 -2.673 1.00 0.00 H new ATOM 0 HA TYR A 6 -13.475 15.116 -4.655 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -14.049 12.918 -2.672 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.534 13.291 -3.468 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.543 15.672 -3.153 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -14.779 14.130 -0.840 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -11.325 17.585 -1.588 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.514 15.956 0.784 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.615 18.007 1.124 1.00 0.00 H new ATOM 89 N ILE A 7 -16.101 13.433 -5.329 1.00 0.00 N ATOM 90 CA ILE A 7 -16.781 12.716 -6.438 1.00 0.00 C ATOM 91 C ILE A 7 -17.092 13.830 -7.538 1.00 0.00 C ATOM 92 O ILE A 7 -17.131 13.587 -8.779 1.00 0.00 O ATOM 93 CB ILE A 7 -18.030 12.056 -5.903 1.00 0.00 C ATOM 94 CG1 ILE A 7 -17.580 10.881 -5.005 1.00 0.00 C ATOM 95 CG2 ILE A 7 -18.897 11.563 -7.053 1.00 0.00 C ATOM 96 CD1 ILE A 7 -16.987 9.738 -5.840 1.00 0.00 C ATOM 0 H ILE A 7 -16.730 13.807 -4.619 1.00 0.00 H new ATOM 0 HA ILE A 7 -16.178 11.921 -6.878 1.00 0.00 H new ATOM 0 HB ILE A 7 -18.628 12.762 -5.326 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -16.839 11.232 -4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -18.430 10.512 -4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -19.794 11.089 -6.655 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -19.181 12.407 -7.682 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -18.338 10.840 -7.646 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -16.680 8.927 -5.180 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -17.738 9.372 -6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -16.122 10.103 -6.393 1.00 0.00 H new ATOM 108 N ASP A 8 -17.220 15.075 -7.067 1.00 0.00 N ATOM 109 CA ASP A 8 -17.413 16.219 -7.963 1.00 0.00 C ATOM 110 C ASP A 8 -16.121 16.406 -8.766 1.00 0.00 C ATOM 111 O ASP A 8 -16.112 17.071 -9.750 1.00 0.00 O ATOM 112 CB ASP A 8 -17.756 17.451 -7.139 1.00 0.00 C ATOM 113 CG ASP A 8 -19.272 17.552 -6.980 1.00 0.00 C ATOM 114 OD1 ASP A 8 -19.955 17.536 -7.988 1.00 0.00 O ATOM 115 OD2 ASP A 8 -19.727 17.640 -5.848 1.00 0.00 O ATOM 0 H ASP A 8 -17.194 15.315 -6.076 1.00 0.00 H new ATOM 0 HA ASP A 8 -18.238 16.052 -8.656 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -17.280 17.391 -6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -17.370 18.346 -7.626 1.00 0.00 H new ATOM 120 N ASN A 9 -15.028 15.765 -8.323 1.00 0.00 N ATOM 121 CA ASN A 9 -13.739 15.800 -9.023 1.00 0.00 C ATOM 122 C ASN A 9 -13.937 15.163 -10.401 1.00 0.00 C ATOM 123 O ASN A 9 -13.896 15.809 -11.389 1.00 0.00 O ATOM 124 CB ASN A 9 -12.735 14.996 -8.082 1.00 0.00 C ATOM 125 CG ASN A 9 -11.951 13.774 -8.763 1.00 0.00 C ATOM 126 OD1 ASN A 9 -11.948 12.534 -8.145 1.00 0.00 O flip ATOM 127 ND2 ASN A 9 -11.368 13.929 -9.814 1.00 0.00 N flip ATOM 0 H ASN A 9 -15.015 15.208 -7.469 1.00 0.00 H new ATOM 0 HA ASN A 9 -13.339 16.799 -9.200 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.000 15.697 -7.687 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.297 14.611 -7.231 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.370 14.842 -10.269 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.875 13.146 -10.244 1.00 0.00 H new ATOM 134 N LEU A 10 -14.185 13.912 -10.400 1.00 0.00 N ATOM 135 CA LEU A 10 -14.446 13.082 -11.660 1.00 0.00 C ATOM 136 C LEU A 10 -15.328 13.784 -12.602 1.00 0.00 C ATOM 137 O LEU A 10 -15.291 13.573 -13.813 1.00 0.00 O ATOM 138 CB LEU A 10 -15.214 11.841 -11.298 1.00 0.00 C ATOM 139 CG LEU A 10 -14.557 11.026 -10.212 1.00 0.00 C ATOM 140 CD1 LEU A 10 -13.005 11.054 -10.302 1.00 0.00 C ATOM 141 CD2 LEU A 10 -15.036 11.525 -8.814 1.00 0.00 C ATOM 0 H LEU A 10 -14.228 13.362 -9.542 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.469 12.880 -12.099 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.216 12.124 -10.974 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -15.330 11.222 -12.187 1.00 0.00 H new ATOM 0 HG LEU A 10 -14.859 9.988 -10.352 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.583 10.452 -9.497 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.689 10.648 -11.263 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.654 12.082 -10.209 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.559 10.933 -8.033 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -14.767 12.574 -8.690 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.118 11.417 -8.740 1.00 0.00 H new ATOM 153 N MET A 11 -16.204 14.512 -12.057 1.00 0.00 N ATOM 154 CA MET A 11 -17.201 15.185 -12.861 1.00 0.00 C ATOM 155 C MET A 11 -16.593 16.554 -13.379 1.00 0.00 C ATOM 156 O MET A 11 -16.672 16.896 -14.544 1.00 0.00 O ATOM 157 CB MET A 11 -18.435 15.337 -11.939 1.00 0.00 C ATOM 158 CG MET A 11 -18.724 13.934 -11.166 1.00 0.00 C ATOM 159 SD MET A 11 -20.025 13.039 -12.045 1.00 0.00 S ATOM 160 CE MET A 11 -18.960 12.258 -13.279 1.00 0.00 C ATOM 0 H MET A 11 -16.277 14.677 -11.053 1.00 0.00 H new ATOM 0 HA MET A 11 -17.501 14.644 -13.759 1.00 0.00 H new ATOM 0 HB2 MET A 11 -18.263 16.133 -11.214 1.00 0.00 H new ATOM 0 HB3 MET A 11 -19.306 15.625 -12.527 1.00 0.00 H new ATOM 0 HG2 MET A 11 -17.816 13.333 -11.123 1.00 0.00 H new ATOM 0 HG3 MET A 11 -19.028 14.126 -10.137 1.00 0.00 H new ATOM 0 HE1 MET A 11 -19.351 11.271 -13.524 1.00 0.00 H new ATOM 0 HE2 MET A 11 -18.935 12.872 -14.179 1.00 0.00 H new ATOM 0 HE3 MET A 11 -17.951 12.159 -12.879 1.00 0.00 H new ATOM 170 N ALA A 12 -15.963 17.260 -12.495 1.00 0.00 N ATOM 171 CA ALA A 12 -15.258 18.588 -12.773 1.00 0.00 C ATOM 172 C ALA A 12 -13.806 18.391 -13.326 1.00 0.00 C ATOM 173 O ALA A 12 -13.047 19.345 -13.431 1.00 0.00 O ATOM 174 CB ALA A 12 -15.144 19.320 -11.434 1.00 0.00 C ATOM 0 H ALA A 12 -15.890 16.971 -11.520 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.832 19.136 -13.520 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -14.645 20.277 -11.584 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.140 19.490 -11.026 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.565 18.715 -10.736 1.00 0.00 H new ATOM 180 N ASP A 13 -13.396 17.167 -13.494 1.00 0.00 N ATOM 181 CA ASP A 13 -11.923 16.835 -13.836 1.00 0.00 C ATOM 182 C ASP A 13 -11.541 16.739 -15.301 1.00 0.00 C ATOM 183 O ASP A 13 -10.372 16.524 -15.587 1.00 0.00 O ATOM 184 CB ASP A 13 -11.781 15.398 -13.360 1.00 0.00 C ATOM 185 CG ASP A 13 -12.848 14.496 -14.121 1.00 0.00 C ATOM 186 OD1 ASP A 13 -13.637 15.023 -14.901 1.00 0.00 O ATOM 187 OD2 ASP A 13 -12.848 13.353 -13.924 1.00 0.00 O ATOM 0 H ASP A 13 -14.002 16.350 -13.415 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.316 17.630 -13.404 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -10.772 15.034 -13.555 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -11.938 15.340 -12.283 1.00 0.00 H new ATOM 192 N GLY A 14 -12.465 16.864 -16.198 1.00 0.00 N ATOM 193 CA GLY A 14 -12.144 16.722 -17.697 1.00 0.00 C ATOM 194 C GLY A 14 -11.004 15.663 -17.989 1.00 0.00 C ATOM 195 O GLY A 14 -10.260 15.801 -18.948 1.00 0.00 O ATOM 0 H GLY A 14 -13.444 17.060 -15.989 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.049 16.430 -18.230 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.841 17.692 -18.091 1.00 0.00 H new ATOM 199 N THR A 15 -10.888 14.625 -17.156 1.00 0.00 N ATOM 200 CA THR A 15 -9.859 13.570 -17.328 1.00 0.00 C ATOM 201 C THR A 15 -10.378 12.328 -16.638 1.00 0.00 C ATOM 202 O THR A 15 -10.390 11.251 -17.227 1.00 0.00 O ATOM 203 CB THR A 15 -8.540 14.017 -16.702 1.00 0.00 C ATOM 204 OG1 THR A 15 -8.002 15.099 -17.447 1.00 0.00 O ATOM 205 CG2 THR A 15 -7.569 12.849 -16.717 1.00 0.00 C ATOM 0 H THR A 15 -11.494 14.484 -16.348 1.00 0.00 H new ATOM 0 HA THR A 15 -9.673 13.374 -18.384 1.00 0.00 H new ATOM 0 HB THR A 15 -8.708 14.342 -15.675 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.641 15.370 -18.139 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.623 13.157 -16.272 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.987 12.021 -16.144 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.400 12.530 -17.745 1.00 0.00 H new ATOM 213 N CYS A 16 -10.848 12.465 -15.393 1.00 0.00 N ATOM 214 CA CYS A 16 -11.398 11.269 -14.691 1.00 0.00 C ATOM 215 C CYS A 16 -12.850 10.958 -15.075 1.00 0.00 C ATOM 216 O CYS A 16 -13.563 11.768 -15.659 1.00 0.00 O ATOM 217 CB CYS A 16 -11.037 11.156 -13.157 1.00 0.00 C ATOM 218 SG CYS A 16 -10.705 12.715 -12.363 1.00 0.00 S ATOM 0 H CYS A 16 -10.866 13.336 -14.862 1.00 0.00 H new ATOM 0 HA CYS A 16 -10.838 10.424 -15.092 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -11.860 10.666 -12.638 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.163 10.513 -13.048 1.00 0.00 H new ATOM 0 HG CYS A 16 -9.448 12.777 -12.037 1.00 0.00 H new ATOM 224 N GLN A 17 -13.201 9.716 -14.880 1.00 0.00 N ATOM 225 CA GLN A 17 -14.476 9.157 -15.326 1.00 0.00 C ATOM 226 C GLN A 17 -15.170 8.541 -14.116 1.00 0.00 C ATOM 227 O GLN A 17 -16.315 8.847 -13.816 1.00 0.00 O ATOM 228 CB GLN A 17 -14.054 8.067 -16.308 1.00 0.00 C ATOM 229 CG GLN A 17 -15.030 7.857 -17.427 1.00 0.00 C ATOM 230 CD GLN A 17 -16.059 6.801 -17.030 1.00 0.00 C ATOM 231 OE1 GLN A 17 -17.249 7.041 -17.095 1.00 0.00 O ATOM 232 NE2 GLN A 17 -15.650 5.632 -16.613 1.00 0.00 N ATOM 0 H GLN A 17 -12.607 9.041 -14.399 1.00 0.00 H new ATOM 0 HA GLN A 17 -15.158 9.880 -15.774 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -13.082 8.325 -16.728 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -13.928 7.130 -15.766 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -15.532 8.795 -17.664 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -14.502 7.542 -18.327 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -14.652 5.431 -16.558 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -16.329 4.921 -16.342 1.00 0.00 H new ATOM 241 N ASP A 18 -14.441 7.690 -13.387 1.00 0.00 N ATOM 242 CA ASP A 18 -15.003 7.061 -12.150 1.00 0.00 C ATOM 243 C ASP A 18 -14.159 7.491 -10.961 1.00 0.00 C ATOM 244 O ASP A 18 -13.236 8.283 -11.100 1.00 0.00 O ATOM 245 CB ASP A 18 -15.081 5.530 -12.282 1.00 0.00 C ATOM 246 CG ASP A 18 -16.251 4.970 -11.454 1.00 0.00 C ATOM 247 OD1 ASP A 18 -17.288 5.595 -11.418 1.00 0.00 O ATOM 248 OD2 ASP A 18 -16.080 3.911 -10.877 1.00 0.00 O ATOM 0 H ASP A 18 -13.484 7.415 -13.609 1.00 0.00 H new ATOM 0 HA ASP A 18 -16.028 7.401 -11.999 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -15.207 5.257 -13.330 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.145 5.083 -11.946 1.00 0.00 H new ATOM 253 N ALA A 19 -14.521 7.053 -9.794 1.00 0.00 N ATOM 254 CA ALA A 19 -13.825 7.494 -8.546 1.00 0.00 C ATOM 255 C ALA A 19 -14.283 6.657 -7.417 1.00 0.00 C ATOM 256 O ALA A 19 -15.482 6.458 -7.293 1.00 0.00 O ATOM 257 CB ALA A 19 -14.307 8.864 -8.262 1.00 0.00 C ATOM 0 H ALA A 19 -15.285 6.394 -9.643 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.743 7.430 -8.665 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.829 9.237 -7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.060 9.517 -9.099 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -15.388 8.848 -8.121 1.00 0.00 H new ATOM 263 N ALA A 20 -13.409 6.197 -6.550 1.00 0.00 N ATOM 264 CA ALA A 20 -13.955 5.423 -5.376 1.00 0.00 C ATOM 265 C ALA A 20 -13.212 5.642 -4.098 1.00 0.00 C ATOM 266 O ALA A 20 -12.165 5.062 -3.851 1.00 0.00 O ATOM 267 CB ALA A 20 -14.041 3.950 -5.646 1.00 0.00 C ATOM 0 H ALA A 20 -12.396 6.312 -6.592 1.00 0.00 H new ATOM 0 HA ALA A 20 -14.959 5.827 -5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.440 3.442 -4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -14.698 3.774 -6.497 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.047 3.562 -5.869 1.00 0.00 H new ATOM 273 N ILE A 21 -13.838 6.384 -3.224 1.00 0.00 N ATOM 274 CA ILE A 21 -13.296 6.557 -1.862 1.00 0.00 C ATOM 275 C ILE A 21 -13.881 5.352 -1.149 1.00 0.00 C ATOM 276 O ILE A 21 -15.087 5.163 -1.177 1.00 0.00 O ATOM 277 CB ILE A 21 -13.775 7.864 -1.254 1.00 0.00 C ATOM 278 CG1 ILE A 21 -13.268 9.007 -2.156 1.00 0.00 C ATOM 279 CG2 ILE A 21 -13.211 8.005 0.186 1.00 0.00 C ATOM 280 CD1 ILE A 21 -13.490 10.359 -1.493 1.00 0.00 C ATOM 0 H ILE A 21 -14.711 6.880 -3.406 1.00 0.00 H new ATOM 0 HA ILE A 21 -12.209 6.609 -1.808 1.00 0.00 H new ATOM 0 HB ILE A 21 -14.863 7.895 -1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -12.207 8.869 -2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -13.787 8.977 -3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -13.555 8.943 0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -13.560 7.172 0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -12.122 7.999 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -13.124 11.150 -2.148 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -14.555 10.503 -1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.950 10.393 -0.547 1.00 0.00 H new ATOM 292 N VAL A 22 -13.063 4.475 -0.620 1.00 0.00 N ATOM 293 CA VAL A 22 -13.606 3.215 -0.038 1.00 0.00 C ATOM 294 C VAL A 22 -13.089 2.959 1.378 1.00 0.00 C ATOM 295 O VAL A 22 -11.903 2.780 1.568 1.00 0.00 O ATOM 296 CB VAL A 22 -13.111 2.041 -0.939 1.00 0.00 C ATOM 297 CG1 VAL A 22 -13.648 0.680 -0.436 1.00 0.00 C ATOM 298 CG2 VAL A 22 -13.564 2.266 -2.389 1.00 0.00 C ATOM 0 H VAL A 22 -12.050 4.579 -0.568 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.692 3.294 0.007 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.022 2.019 -0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.285 -0.117 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -13.300 0.505 0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.738 0.691 -0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -13.214 1.442 -3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.652 2.313 -2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.147 3.203 -2.759 1.00 0.00 H new ATOM 308 N GLY A 23 -13.991 2.866 2.354 1.00 0.00 N ATOM 309 CA GLY A 23 -13.575 2.518 3.759 1.00 0.00 C ATOM 310 C GLY A 23 -13.126 1.037 3.734 1.00 0.00 C ATOM 311 O GLY A 23 -13.898 0.132 3.984 1.00 0.00 O ATOM 0 H GLY A 23 -14.992 3.017 2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.763 3.163 4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.402 2.660 4.454 1.00 0.00 H new ATOM 315 N TYR A 24 -11.884 0.822 3.380 1.00 0.00 N ATOM 316 CA TYR A 24 -11.281 -0.554 3.242 1.00 0.00 C ATOM 317 C TYR A 24 -10.858 -1.146 4.627 1.00 0.00 C ATOM 318 O TYR A 24 -9.897 -1.903 4.706 1.00 0.00 O ATOM 319 CB TYR A 24 -10.041 -0.399 2.292 1.00 0.00 C ATOM 320 CG TYR A 24 -8.800 0.027 3.084 1.00 0.00 C ATOM 321 CD1 TYR A 24 -8.844 1.143 3.938 1.00 0.00 C ATOM 322 CD2 TYR A 24 -7.627 -0.717 2.975 1.00 0.00 C ATOM 323 CE1 TYR A 24 -7.715 1.508 4.669 1.00 0.00 C ATOM 324 CE2 TYR A 24 -6.497 -0.353 3.701 1.00 0.00 C ATOM 325 CZ TYR A 24 -6.534 0.761 4.549 1.00 0.00 C ATOM 326 OH TYR A 24 -5.413 1.117 5.272 1.00 0.00 O ATOM 0 H TYR A 24 -11.229 1.575 3.170 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.010 -1.252 2.832 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.847 -1.343 1.783 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.258 0.340 1.521 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -9.754 1.718 4.028 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -7.595 -1.579 2.325 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.749 2.364 5.326 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.589 -0.931 3.610 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.683 0.494 5.072 1.00 0.00 H new ATOM 336 N LYS A 25 -11.575 -0.818 5.694 1.00 0.00 N ATOM 337 CA LYS A 25 -11.238 -1.357 7.043 1.00 0.00 C ATOM 338 C LYS A 25 -11.488 -2.867 7.015 1.00 0.00 C ATOM 339 O LYS A 25 -11.470 -3.475 5.950 1.00 0.00 O ATOM 340 CB LYS A 25 -12.126 -0.677 8.085 1.00 0.00 C ATOM 341 CG LYS A 25 -11.662 0.763 8.299 1.00 0.00 C ATOM 342 CD LYS A 25 -12.139 1.611 7.154 1.00 0.00 C ATOM 343 CE LYS A 25 -12.213 3.067 7.600 1.00 0.00 C ATOM 344 NZ LYS A 25 -13.226 3.212 8.694 1.00 0.00 N ATOM 0 H LYS A 25 -12.382 -0.195 5.674 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.197 -1.164 7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.165 -0.689 7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.084 -1.226 9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.054 1.148 9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.575 0.801 8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.461 1.513 6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.119 1.271 6.819 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.236 3.400 7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.482 3.702 6.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.787 4.073 8.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.855 2.384 8.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.740 3.280 9.611 1.00 0.00 H new ATOM 358 N ASP A 26 -11.747 -3.479 8.162 1.00 0.00 N ATOM 359 CA ASP A 26 -12.045 -4.984 8.211 1.00 0.00 C ATOM 360 C ASP A 26 -13.065 -5.307 7.117 1.00 0.00 C ATOM 361 O ASP A 26 -12.804 -6.081 6.206 1.00 0.00 O ATOM 362 CB ASP A 26 -12.637 -5.400 9.574 1.00 0.00 C ATOM 363 CG ASP A 26 -13.475 -4.271 10.207 1.00 0.00 C ATOM 364 OD1 ASP A 26 -12.889 -3.398 10.825 1.00 0.00 O ATOM 365 OD2 ASP A 26 -14.687 -4.313 10.070 1.00 0.00 O ATOM 0 H ASP A 26 -11.767 -3.012 9.069 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.112 -5.528 8.062 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -13.260 -6.285 9.444 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.829 -5.676 10.252 1.00 0.00 H new ATOM 370 N SER A 27 -14.200 -4.654 7.192 1.00 0.00 N ATOM 371 CA SER A 27 -15.256 -4.800 6.185 1.00 0.00 C ATOM 372 C SER A 27 -15.153 -3.564 5.275 1.00 0.00 C ATOM 373 O SER A 27 -15.170 -2.449 5.777 1.00 0.00 O ATOM 374 CB SER A 27 -16.611 -4.834 6.879 1.00 0.00 C ATOM 375 OG SER A 27 -16.644 -3.870 7.930 1.00 0.00 O ATOM 0 H SER A 27 -14.430 -4.006 7.945 1.00 0.00 H new ATOM 0 HA SER A 27 -15.149 -5.720 5.610 1.00 0.00 H new ATOM 0 HB2 SER A 27 -17.403 -4.627 6.159 1.00 0.00 H new ATOM 0 HB3 SER A 27 -16.798 -5.830 7.281 1.00 0.00 H new ATOM 0 HG SER A 27 -16.131 -3.079 7.664 1.00 0.00 H new ATOM 381 N PRO A 28 -14.999 -3.779 3.963 1.00 0.00 N ATOM 382 CA PRO A 28 -14.831 -2.686 3.021 1.00 0.00 C ATOM 383 C PRO A 28 -16.149 -2.006 2.767 1.00 0.00 C ATOM 384 O PRO A 28 -17.211 -2.590 2.966 1.00 0.00 O ATOM 385 CB PRO A 28 -14.295 -3.355 1.766 1.00 0.00 C ATOM 386 CG PRO A 28 -14.705 -4.836 1.873 1.00 0.00 C ATOM 387 CD PRO A 28 -15.004 -5.107 3.333 1.00 0.00 C ATOM 0 HA PRO A 28 -14.160 -1.908 3.385 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -14.713 -2.897 0.870 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.212 -3.253 1.700 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.580 -5.040 1.256 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.905 -5.485 1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -15.968 -5.601 3.456 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -14.253 -5.760 3.777 1.00 0.00 H new ATOM 395 N SER A 29 -16.096 -0.771 2.325 1.00 0.00 N ATOM 396 CA SER A 29 -17.318 -0.019 2.044 1.00 0.00 C ATOM 397 C SER A 29 -16.997 1.080 1.073 1.00 0.00 C ATOM 398 O SER A 29 -15.856 1.485 0.935 1.00 0.00 O ATOM 399 CB SER A 29 -17.864 0.572 3.339 1.00 0.00 C ATOM 400 OG SER A 29 -16.897 1.445 3.898 1.00 0.00 O ATOM 0 H SER A 29 -15.231 -0.260 2.150 1.00 0.00 H new ATOM 0 HA SER A 29 -18.072 -0.679 1.614 1.00 0.00 H new ATOM 0 HB2 SER A 29 -18.790 1.113 3.144 1.00 0.00 H new ATOM 0 HB3 SER A 29 -18.103 -0.224 4.044 1.00 0.00 H new ATOM 0 HG SER A 29 -17.152 2.374 3.718 1.00 0.00 H new ATOM 406 N VAL A 30 -17.989 1.558 0.391 1.00 0.00 N ATOM 407 CA VAL A 30 -17.789 2.624 -0.579 1.00 0.00 C ATOM 408 C VAL A 30 -18.171 3.939 0.093 1.00 0.00 C ATOM 409 O VAL A 30 -19.340 4.291 0.181 1.00 0.00 O ATOM 410 CB VAL A 30 -18.642 2.310 -1.802 1.00 0.00 C ATOM 411 CG1 VAL A 30 -18.642 3.494 -2.763 1.00 0.00 C ATOM 412 CG2 VAL A 30 -18.041 1.077 -2.501 1.00 0.00 C ATOM 0 H VAL A 30 -18.953 1.236 0.477 1.00 0.00 H new ATOM 0 HA VAL A 30 -16.754 2.708 -0.912 1.00 0.00 H new ATOM 0 HB VAL A 30 -19.670 2.114 -1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -19.255 3.257 -3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -19.050 4.371 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -17.621 3.702 -3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -18.635 0.832 -3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -17.017 1.294 -2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -18.045 0.231 -1.814 1.00 0.00 H new ATOM 422 N TRP A 31 -17.171 4.648 0.590 1.00 0.00 N ATOM 423 CA TRP A 31 -17.412 5.935 1.296 1.00 0.00 C ATOM 424 C TRP A 31 -17.884 6.984 0.298 1.00 0.00 C ATOM 425 O TRP A 31 -18.536 7.953 0.671 1.00 0.00 O ATOM 426 CB TRP A 31 -16.100 6.368 2.003 1.00 0.00 C ATOM 427 CG TRP A 31 -16.012 5.673 3.356 1.00 0.00 C ATOM 428 CD1 TRP A 31 -16.817 4.649 3.757 1.00 0.00 C ATOM 429 CD2 TRP A 31 -15.104 5.920 4.478 1.00 0.00 C ATOM 430 NE1 TRP A 31 -16.484 4.281 5.021 1.00 0.00 N ATOM 431 CE2 TRP A 31 -15.439 5.022 5.520 1.00 0.00 C ATOM 432 CE3 TRP A 31 -14.042 6.823 4.706 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -14.761 5.018 6.730 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -13.358 6.814 5.938 1.00 0.00 C ATOM 435 CH2 TRP A 31 -13.722 5.915 6.942 1.00 0.00 C ATOM 0 H TRP A 31 -16.190 4.375 0.529 1.00 0.00 H new ATOM 0 HA TRP A 31 -18.191 5.820 2.049 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -15.238 6.107 1.389 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -16.082 7.450 2.134 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -17.598 4.200 3.162 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -16.955 3.540 5.540 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -13.754 7.522 3.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -15.040 4.320 7.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -12.547 7.507 6.107 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -13.195 5.917 7.885 1.00 0.00 H new ATOM 446 N ALA A 32 -17.602 6.777 -0.982 1.00 0.00 N ATOM 447 CA ALA A 32 -18.082 7.738 -2.040 1.00 0.00 C ATOM 448 C ALA A 32 -17.510 7.361 -3.404 1.00 0.00 C ATOM 449 O ALA A 32 -16.511 7.921 -3.852 1.00 0.00 O ATOM 450 CB ALA A 32 -17.672 9.176 -1.684 1.00 0.00 C ATOM 0 H ALA A 32 -17.062 5.986 -1.334 1.00 0.00 H new ATOM 0 HA ALA A 32 -19.170 7.680 -2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -18.026 9.857 -2.458 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -18.113 9.454 -0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -16.586 9.238 -1.615 1.00 0.00 H new ATOM 456 N ALA A 33 -18.160 6.436 -4.089 1.00 0.00 N ATOM 457 CA ALA A 33 -17.690 6.042 -5.439 1.00 0.00 C ATOM 458 C ALA A 33 -18.797 6.305 -6.437 1.00 0.00 C ATOM 459 O ALA A 33 -19.928 5.881 -6.244 1.00 0.00 O ATOM 460 CB ALA A 33 -17.327 4.562 -5.490 1.00 0.00 C ATOM 0 H ALA A 33 -18.992 5.946 -3.760 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.801 6.625 -5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -16.986 4.305 -6.493 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.532 4.358 -4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -18.203 3.964 -5.240 1.00 0.00 H new ATOM 466 N VAL A 34 -18.478 6.989 -7.520 1.00 0.00 N ATOM 467 CA VAL A 34 -19.515 7.289 -8.589 1.00 0.00 C ATOM 468 C VAL A 34 -20.233 5.945 -8.969 1.00 0.00 C ATOM 469 O VAL A 34 -19.620 5.090 -9.588 1.00 0.00 O ATOM 470 CB VAL A 34 -18.822 7.886 -9.823 1.00 0.00 C ATOM 471 CG1 VAL A 34 -19.864 8.222 -10.888 1.00 0.00 C ATOM 472 CG2 VAL A 34 -18.080 9.168 -9.428 1.00 0.00 C ATOM 0 H VAL A 34 -17.546 7.355 -7.715 1.00 0.00 H new ATOM 0 HA VAL A 34 -20.247 8.008 -8.220 1.00 0.00 H new ATOM 0 HB VAL A 34 -18.114 7.158 -10.220 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -19.368 8.645 -11.762 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -20.395 7.315 -11.176 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -20.573 8.946 -10.487 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -17.589 9.589 -10.305 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -18.791 9.891 -9.027 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -17.332 8.936 -8.670 1.00 0.00 H new ATOM 482 N PRO A 35 -21.504 5.774 -8.528 1.00 0.00 N ATOM 483 CA PRO A 35 -22.258 4.523 -8.764 1.00 0.00 C ATOM 484 C PRO A 35 -22.722 4.377 -10.213 1.00 0.00 C ATOM 485 O PRO A 35 -22.921 5.352 -10.922 1.00 0.00 O ATOM 486 CB PRO A 35 -23.456 4.627 -7.807 1.00 0.00 C ATOM 487 CG PRO A 35 -23.634 6.140 -7.491 1.00 0.00 C ATOM 488 CD PRO A 35 -22.275 6.807 -7.790 1.00 0.00 C ATOM 0 HA PRO A 35 -21.641 3.643 -8.585 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -24.356 4.217 -8.265 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -23.275 4.058 -6.895 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -24.424 6.575 -8.103 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -23.920 6.289 -6.450 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -22.400 7.710 -8.387 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -21.767 7.100 -6.871 1.00 0.00 H new ATOM 496 N GLY A 36 -22.896 3.128 -10.648 1.00 0.00 N ATOM 497 CA GLY A 36 -23.353 2.847 -12.046 1.00 0.00 C ATOM 498 C GLY A 36 -22.156 2.482 -12.939 1.00 0.00 C ATOM 499 O GLY A 36 -22.341 2.004 -14.052 1.00 0.00 O ATOM 0 H GLY A 36 -22.736 2.297 -10.079 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -24.074 2.030 -12.042 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -23.864 3.721 -12.451 1.00 0.00 H new ATOM 503 N LYS A 37 -20.926 2.722 -12.473 1.00 0.00 N ATOM 504 CA LYS A 37 -19.715 2.410 -13.310 1.00 0.00 C ATOM 505 C LYS A 37 -19.119 1.031 -12.952 1.00 0.00 C ATOM 506 O LYS A 37 -19.264 0.085 -13.717 1.00 0.00 O ATOM 507 CB LYS A 37 -18.664 3.513 -13.105 1.00 0.00 C ATOM 508 CG LYS A 37 -19.315 4.898 -13.305 1.00 0.00 C ATOM 509 CD LYS A 37 -19.909 5.001 -14.711 1.00 0.00 C ATOM 510 CE LYS A 37 -19.831 6.457 -15.192 1.00 0.00 C ATOM 511 NZ LYS A 37 -20.657 6.637 -16.433 1.00 0.00 N ATOM 0 H LYS A 37 -20.723 3.118 -11.555 1.00 0.00 H new ATOM 0 HA LYS A 37 -20.016 2.374 -14.357 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.239 3.442 -12.104 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.843 3.382 -13.810 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -20.095 5.053 -12.560 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.573 5.682 -13.157 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.365 4.350 -15.396 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.945 4.663 -14.706 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.187 7.126 -14.409 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -18.794 6.726 -15.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.597 7.626 -16.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -20.299 6.011 -17.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -21.648 6.399 -16.228 1.00 0.00 H new ATOM 525 N THR A 38 -18.431 0.910 -11.808 1.00 0.00 N ATOM 526 CA THR A 38 -17.800 -0.417 -11.425 1.00 0.00 C ATOM 527 C THR A 38 -17.069 -0.323 -10.055 1.00 0.00 C ATOM 528 O THR A 38 -17.098 -1.257 -9.272 1.00 0.00 O ATOM 529 CB THR A 38 -16.800 -0.822 -12.567 1.00 0.00 C ATOM 530 OG1 THR A 38 -17.484 -1.611 -13.534 1.00 0.00 O ATOM 531 CG2 THR A 38 -15.556 -1.607 -12.040 1.00 0.00 C ATOM 0 H THR A 38 -18.285 1.665 -11.138 1.00 0.00 H new ATOM 0 HA THR A 38 -18.575 -1.176 -11.315 1.00 0.00 H new ATOM 0 HB THR A 38 -16.429 0.101 -13.012 1.00 0.00 H new ATOM 0 HG1 THR A 38 -18.310 -1.157 -13.802 1.00 0.00 H new ATOM 0 HG21 THR A 38 -14.903 -1.858 -12.876 1.00 0.00 H new ATOM 0 HG22 THR A 38 -15.011 -0.988 -11.327 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.885 -2.523 -11.549 1.00 0.00 H new ATOM 539 N PHE A 39 -16.379 0.766 -9.812 1.00 0.00 N ATOM 540 CA PHE A 39 -15.572 0.925 -8.546 1.00 0.00 C ATOM 541 C PHE A 39 -16.426 0.790 -7.300 1.00 0.00 C ATOM 542 O PHE A 39 -16.025 0.169 -6.343 1.00 0.00 O ATOM 543 CB PHE A 39 -14.956 2.301 -8.522 1.00 0.00 C ATOM 544 CG PHE A 39 -13.697 2.365 -9.389 1.00 0.00 C ATOM 545 CD1 PHE A 39 -13.620 1.655 -10.597 1.00 0.00 C ATOM 546 CD2 PHE A 39 -12.601 3.133 -8.967 1.00 0.00 C ATOM 547 CE1 PHE A 39 -12.471 1.716 -11.367 1.00 0.00 C ATOM 548 CE2 PHE A 39 -11.448 3.182 -9.741 1.00 0.00 C ATOM 549 CZ PHE A 39 -11.387 2.471 -10.943 1.00 0.00 C ATOM 0 H PHE A 39 -16.336 1.566 -10.443 1.00 0.00 H new ATOM 0 HA PHE A 39 -14.817 0.138 -8.545 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -15.682 3.032 -8.878 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -14.707 2.572 -7.496 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -14.459 1.060 -10.927 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.654 3.686 -8.041 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.418 1.175 -12.300 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -10.601 3.768 -9.415 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.491 2.510 -11.545 1.00 0.00 H new ATOM 559 N VAL A 40 -17.572 1.414 -7.304 1.00 0.00 N ATOM 560 CA VAL A 40 -18.497 1.396 -6.111 1.00 0.00 C ATOM 561 C VAL A 40 -18.814 -0.055 -5.723 1.00 0.00 C ATOM 562 O VAL A 40 -19.154 -0.338 -4.580 1.00 0.00 O ATOM 563 CB VAL A 40 -19.797 2.162 -6.449 1.00 0.00 C ATOM 564 CG1 VAL A 40 -20.279 1.733 -7.817 1.00 0.00 C ATOM 565 CG2 VAL A 40 -20.887 1.873 -5.390 1.00 0.00 C ATOM 0 H VAL A 40 -17.923 1.950 -8.098 1.00 0.00 H new ATOM 0 HA VAL A 40 -18.012 1.885 -5.266 1.00 0.00 H new ATOM 0 HB VAL A 40 -19.595 3.233 -6.448 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.196 2.268 -8.064 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -19.515 1.960 -8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.474 0.661 -7.814 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -21.795 2.420 -5.644 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.101 0.804 -5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -20.534 2.191 -4.409 1.00 0.00 H new ATOM 575 N ASN A 41 -18.686 -0.974 -6.655 1.00 0.00 N ATOM 576 CA ASN A 41 -18.953 -2.399 -6.360 1.00 0.00 C ATOM 577 C ASN A 41 -17.712 -3.022 -5.681 1.00 0.00 C ATOM 578 O ASN A 41 -17.534 -4.237 -5.707 1.00 0.00 O ATOM 579 CB ASN A 41 -19.230 -3.117 -7.667 1.00 0.00 C ATOM 580 CG ASN A 41 -20.684 -2.902 -8.077 1.00 0.00 C ATOM 581 OD1 ASN A 41 -21.591 -3.214 -7.330 1.00 0.00 O ATOM 582 ND2 ASN A 41 -20.951 -2.382 -9.245 1.00 0.00 N ATOM 0 H ASN A 41 -18.404 -0.783 -7.616 1.00 0.00 H new ATOM 0 HA ASN A 41 -19.811 -2.492 -5.694 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -18.564 -2.744 -8.445 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -19.027 -4.182 -7.557 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -21.920 -2.238 -9.530 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -20.191 -2.120 -9.872 1.00 0.00 H new ATOM 589 N ILE A 42 -16.832 -2.192 -5.091 1.00 0.00 N ATOM 590 CA ILE A 42 -15.611 -2.717 -4.456 1.00 0.00 C ATOM 591 C ILE A 42 -15.931 -3.500 -3.147 1.00 0.00 C ATOM 592 O ILE A 42 -16.428 -2.970 -2.171 1.00 0.00 O ATOM 593 CB ILE A 42 -14.616 -1.532 -4.231 1.00 0.00 C ATOM 594 CG1 ILE A 42 -13.723 -1.415 -5.478 1.00 0.00 C ATOM 595 CG2 ILE A 42 -13.726 -1.740 -2.986 1.00 0.00 C ATOM 596 CD1 ILE A 42 -13.060 -0.043 -5.530 1.00 0.00 C ATOM 0 H ILE A 42 -16.939 -1.179 -5.041 1.00 0.00 H new ATOM 0 HA ILE A 42 -15.137 -3.445 -5.114 1.00 0.00 H new ATOM 0 HB ILE A 42 -15.195 -0.623 -4.066 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -12.961 -2.194 -5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -14.320 -1.572 -6.377 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -13.053 -0.890 -2.874 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -14.355 -1.825 -2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -13.142 -2.652 -3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.432 0.024 -6.418 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.827 0.730 -5.569 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.447 0.099 -4.640 1.00 0.00 H new ATOM 608 N THR A 43 -15.589 -4.755 -3.177 1.00 0.00 N ATOM 609 CA THR A 43 -15.758 -5.708 -2.029 1.00 0.00 C ATOM 610 C THR A 43 -14.337 -5.965 -1.434 1.00 0.00 C ATOM 611 O THR A 43 -13.384 -5.401 -1.942 1.00 0.00 O ATOM 612 CB THR A 43 -16.336 -7.009 -2.641 1.00 0.00 C ATOM 613 OG1 THR A 43 -15.723 -7.264 -3.905 1.00 0.00 O ATOM 614 CG2 THR A 43 -17.842 -6.850 -2.834 1.00 0.00 C ATOM 0 H THR A 43 -15.173 -5.190 -4.000 1.00 0.00 H new ATOM 0 HA THR A 43 -16.414 -5.335 -1.243 1.00 0.00 H new ATOM 0 HB THR A 43 -16.135 -7.843 -1.969 1.00 0.00 H new ATOM 0 HG1 THR A 43 -16.091 -8.088 -4.287 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.252 -7.764 -3.264 1.00 0.00 H new ATOM 0 HG22 THR A 43 -18.314 -6.659 -1.870 1.00 0.00 H new ATOM 0 HG23 THR A 43 -18.036 -6.014 -3.505 1.00 0.00 H new ATOM 622 N PRO A 44 -14.193 -6.831 -0.393 1.00 0.00 N ATOM 623 CA PRO A 44 -12.852 -7.126 0.169 1.00 0.00 C ATOM 624 C PRO A 44 -12.013 -8.003 -0.769 1.00 0.00 C ATOM 625 O PRO A 44 -10.873 -8.332 -0.467 1.00 0.00 O ATOM 626 CB PRO A 44 -13.134 -7.809 1.474 1.00 0.00 C ATOM 627 CG PRO A 44 -14.579 -8.368 1.392 1.00 0.00 C ATOM 628 CD PRO A 44 -15.297 -7.558 0.288 1.00 0.00 C ATOM 0 HA PRO A 44 -12.257 -6.222 0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.419 -8.613 1.651 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.038 -7.109 2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.571 -9.431 1.151 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.092 -8.261 2.348 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.832 -8.210 -0.402 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -16.029 -6.869 0.709 1.00 0.00 H new ATOM 636 N ALA A 45 -12.558 -8.341 -1.906 1.00 0.00 N ATOM 637 CA ALA A 45 -11.824 -9.150 -2.918 1.00 0.00 C ATOM 638 C ALA A 45 -10.959 -8.192 -3.729 1.00 0.00 C ATOM 639 O ALA A 45 -9.716 -8.237 -3.708 1.00 0.00 O ATOM 640 CB ALA A 45 -12.844 -9.828 -3.839 1.00 0.00 C ATOM 0 H ALA A 45 -13.506 -8.083 -2.181 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.206 -9.913 -2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.320 -10.424 -4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.494 -10.475 -3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.445 -9.068 -4.338 1.00 0.00 H new ATOM 646 N GLU A 46 -11.626 -7.310 -4.420 1.00 0.00 N ATOM 647 CA GLU A 46 -10.910 -6.270 -5.258 1.00 0.00 C ATOM 648 C GLU A 46 -10.070 -5.398 -4.327 1.00 0.00 C ATOM 649 O GLU A 46 -8.972 -4.976 -4.672 1.00 0.00 O ATOM 650 CB GLU A 46 -11.901 -5.394 -6.083 1.00 0.00 C ATOM 651 CG GLU A 46 -13.242 -5.247 -5.391 1.00 0.00 C ATOM 652 CD GLU A 46 -14.255 -6.235 -5.996 1.00 0.00 C ATOM 653 OE1 GLU A 46 -13.922 -7.403 -6.113 1.00 0.00 O ATOM 654 OE2 GLU A 46 -15.345 -5.802 -6.332 1.00 0.00 O ATOM 0 H GLU A 46 -12.644 -7.254 -4.449 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.273 -6.780 -5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.466 -4.408 -6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.048 -5.841 -7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.132 -5.434 -4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.607 -4.226 -5.500 1.00 0.00 H new ATOM 661 N VAL A 47 -10.557 -5.195 -3.114 1.00 0.00 N ATOM 662 CA VAL A 47 -9.801 -4.438 -2.090 1.00 0.00 C ATOM 663 C VAL A 47 -8.749 -5.335 -1.449 1.00 0.00 C ATOM 664 O VAL A 47 -7.743 -4.849 -0.973 1.00 0.00 O ATOM 665 CB VAL A 47 -10.799 -3.780 -1.090 1.00 0.00 C ATOM 666 CG1 VAL A 47 -10.278 -3.736 0.304 1.00 0.00 C ATOM 667 CG2 VAL A 47 -10.926 -2.305 -1.461 1.00 0.00 C ATOM 0 H VAL A 47 -11.466 -5.536 -2.801 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.243 -3.617 -2.539 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.719 -4.362 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.017 -3.267 0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.081 -4.750 0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.354 -3.158 0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.620 -1.816 -0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.949 -1.827 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.300 -2.217 -2.481 1.00 0.00 H new ATOM 677 N GLY A 48 -8.951 -6.635 -1.474 1.00 0.00 N ATOM 678 CA GLY A 48 -7.931 -7.571 -0.909 1.00 0.00 C ATOM 679 C GLY A 48 -6.629 -7.408 -1.682 1.00 0.00 C ATOM 680 O GLY A 48 -5.565 -7.632 -1.158 1.00 0.00 O ATOM 0 H GLY A 48 -9.780 -7.085 -1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.770 -7.360 0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.284 -8.600 -0.979 1.00 0.00 H new ATOM 684 N VAL A 49 -6.725 -7.023 -2.939 1.00 0.00 N ATOM 685 CA VAL A 49 -5.486 -6.832 -3.791 1.00 0.00 C ATOM 686 C VAL A 49 -5.072 -5.350 -3.825 1.00 0.00 C ATOM 687 O VAL A 49 -3.889 -5.026 -3.849 1.00 0.00 O ATOM 688 CB VAL A 49 -5.733 -7.365 -5.212 1.00 0.00 C ATOM 689 CG1 VAL A 49 -6.723 -6.471 -5.981 1.00 0.00 C ATOM 690 CG2 VAL A 49 -4.397 -7.411 -5.949 1.00 0.00 C ATOM 0 H VAL A 49 -7.606 -6.831 -3.416 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.667 -7.398 -3.347 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.169 -8.362 -5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.876 -6.875 -6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.675 -6.443 -5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.319 -5.461 -6.055 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.552 -7.787 -6.960 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.973 -6.408 -5.996 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.711 -8.071 -5.418 1.00 0.00 H new ATOM 700 N LEU A 50 -6.036 -4.471 -3.786 1.00 0.00 N ATOM 701 CA LEU A 50 -5.768 -3.002 -3.760 1.00 0.00 C ATOM 702 C LEU A 50 -5.116 -2.608 -2.433 1.00 0.00 C ATOM 703 O LEU A 50 -4.563 -1.522 -2.302 1.00 0.00 O ATOM 704 CB LEU A 50 -7.101 -2.292 -3.854 1.00 0.00 C ATOM 705 CG LEU A 50 -7.519 -1.952 -5.259 1.00 0.00 C ATOM 706 CD1 LEU A 50 -9.026 -1.644 -5.233 1.00 0.00 C ATOM 707 CD2 LEU A 50 -6.773 -0.705 -5.714 1.00 0.00 C ATOM 0 H LEU A 50 -7.026 -4.716 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.105 -2.734 -4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.868 -2.920 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.053 -1.374 -3.268 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.299 -2.777 -5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.363 -1.393 -6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.570 -2.518 -4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.214 -0.802 -4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.072 -0.453 -6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.013 0.125 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.700 -0.893 -5.687 1.00 0.00 H new ATOM 719 N VAL A 51 -5.245 -3.454 -1.438 1.00 0.00 N ATOM 720 CA VAL A 51 -4.717 -3.129 -0.068 1.00 0.00 C ATOM 721 C VAL A 51 -4.082 -4.381 0.599 1.00 0.00 C ATOM 722 O VAL A 51 -3.491 -4.278 1.666 1.00 0.00 O ATOM 723 CB VAL A 51 -5.931 -2.565 0.778 1.00 0.00 C ATOM 724 CG1 VAL A 51 -6.800 -1.663 -0.111 1.00 0.00 C ATOM 725 CG2 VAL A 51 -6.805 -3.721 1.335 1.00 0.00 C ATOM 0 H VAL A 51 -5.697 -4.365 -1.515 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.923 -2.384 -0.127 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.529 -1.995 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.636 -1.275 0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.200 -0.832 -0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.182 -2.241 -0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.632 -3.307 1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.200 -4.310 0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.198 -4.359 1.977 1.00 0.00 H new ATOM 735 N GLY A 52 -4.199 -5.562 -0.030 1.00 0.00 N ATOM 736 CA GLY A 52 -3.612 -6.812 0.537 1.00 0.00 C ATOM 737 C GLY A 52 -2.185 -6.573 0.970 1.00 0.00 C ATOM 738 O GLY A 52 -1.444 -5.815 0.352 1.00 0.00 O ATOM 0 H GLY A 52 -4.685 -5.689 -0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.206 -7.147 1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.645 -7.607 -0.208 1.00 0.00 H new ATOM 822 N PHE A 58 0.263 -8.862 -7.260 1.00 0.00 N ATOM 823 CA PHE A 58 -0.468 -7.836 -8.115 1.00 0.00 C ATOM 824 C PHE A 58 0.404 -6.722 -8.723 1.00 0.00 C ATOM 825 O PHE A 58 -0.025 -6.111 -9.689 1.00 0.00 O ATOM 826 CB PHE A 58 -1.651 -7.239 -7.362 1.00 0.00 C ATOM 827 CG PHE A 58 -1.210 -6.489 -6.145 1.00 0.00 C ATOM 828 CD1 PHE A 58 -0.880 -5.138 -6.243 1.00 0.00 C ATOM 829 CD2 PHE A 58 -1.171 -7.133 -4.908 1.00 0.00 C ATOM 830 CE1 PHE A 58 -0.515 -4.427 -5.104 1.00 0.00 C ATOM 831 CE2 PHE A 58 -0.795 -6.426 -3.767 1.00 0.00 C ATOM 832 CZ PHE A 58 -0.469 -5.072 -3.864 1.00 0.00 C ATOM 0 HA PHE A 58 -0.819 -8.409 -8.973 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.202 -6.570 -8.022 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.336 -8.035 -7.071 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.908 -4.643 -7.203 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.432 -8.178 -4.835 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.268 -3.378 -5.177 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.756 -6.925 -2.810 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.181 -4.522 -2.980 1.00 0.00 H new ATOM 842 N TYR A 59 1.600 -6.412 -8.208 1.00 0.00 N ATOM 843 CA TYR A 59 2.399 -5.299 -8.858 1.00 0.00 C ATOM 844 C TYR A 59 2.742 -5.609 -10.313 1.00 0.00 C ATOM 845 O TYR A 59 3.279 -4.755 -11.013 1.00 0.00 O ATOM 846 CB TYR A 59 3.703 -4.978 -8.118 1.00 0.00 C ATOM 847 CG TYR A 59 3.511 -4.807 -6.645 1.00 0.00 C ATOM 848 CD1 TYR A 59 2.488 -4.009 -6.172 1.00 0.00 C ATOM 849 CD2 TYR A 59 4.409 -5.404 -5.755 1.00 0.00 C ATOM 850 CE1 TYR A 59 2.348 -3.797 -4.796 1.00 0.00 C ATOM 851 CE2 TYR A 59 4.267 -5.202 -4.385 1.00 0.00 C ATOM 852 CZ TYR A 59 3.238 -4.394 -3.904 1.00 0.00 C ATOM 853 OH TYR A 59 3.100 -4.187 -2.548 1.00 0.00 O ATOM 0 H TYR A 59 2.035 -6.862 -7.403 1.00 0.00 H new ATOM 0 HA TYR A 59 1.744 -4.429 -8.808 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.421 -5.779 -8.295 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.134 -4.066 -8.531 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.797 -3.549 -6.863 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.212 -6.021 -6.130 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.550 -3.171 -4.425 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.953 -5.671 -3.695 1.00 0.00 H new ATOM 0 HH TYR A 59 3.801 -4.676 -2.069 1.00 0.00 H new ATOM 863 N VAL A 60 2.477 -6.803 -10.767 1.00 0.00 N ATOM 864 CA VAL A 60 2.817 -7.188 -12.156 1.00 0.00 C ATOM 865 C VAL A 60 1.576 -7.629 -12.928 1.00 0.00 C ATOM 866 O VAL A 60 1.502 -7.427 -14.136 1.00 0.00 O ATOM 867 CB VAL A 60 3.820 -8.332 -12.128 1.00 0.00 C ATOM 868 CG1 VAL A 60 5.221 -7.758 -11.970 1.00 0.00 C ATOM 869 CG2 VAL A 60 3.532 -9.293 -10.958 1.00 0.00 C ATOM 0 H VAL A 60 2.030 -7.538 -10.219 1.00 0.00 H new ATOM 0 HA VAL A 60 3.244 -6.319 -12.657 1.00 0.00 H new ATOM 0 HB VAL A 60 3.738 -8.890 -13.061 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.947 -8.571 -11.949 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.440 -7.097 -12.809 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.280 -7.194 -11.039 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.264 -10.101 -10.962 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.597 -8.749 -10.016 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.531 -9.710 -11.068 1.00 0.00 H new ATOM 879 N ASN A 61 0.603 -8.245 -12.257 1.00 0.00 N ATOM 880 CA ASN A 61 -0.605 -8.705 -12.967 1.00 0.00 C ATOM 881 C ASN A 61 -1.648 -7.596 -12.999 1.00 0.00 C ATOM 882 O ASN A 61 -2.291 -7.379 -14.021 1.00 0.00 O ATOM 883 CB ASN A 61 -1.165 -9.967 -12.305 1.00 0.00 C ATOM 884 CG ASN A 61 -1.503 -9.745 -10.844 1.00 0.00 C ATOM 885 OD1 ASN A 61 -2.346 -8.940 -10.512 1.00 0.00 O ATOM 886 ND2 ASN A 61 -0.889 -10.462 -9.940 1.00 0.00 N ATOM 0 H ASN A 61 0.617 -8.436 -11.255 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.339 -8.954 -13.994 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.060 -10.289 -12.838 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.436 -10.773 -12.389 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.119 -10.345 -8.953 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.180 -11.139 -10.221 1.00 0.00 H new ATOM 893 N GLY A 62 -1.809 -6.871 -11.898 1.00 0.00 N ATOM 894 CA GLY A 62 -2.776 -5.766 -11.860 1.00 0.00 C ATOM 895 C GLY A 62 -3.708 -5.904 -10.658 1.00 0.00 C ATOM 896 O GLY A 62 -3.992 -7.004 -10.200 1.00 0.00 O ATOM 0 H GLY A 62 -1.295 -7.020 -11.030 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.246 -4.815 -11.808 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.360 -5.756 -12.780 1.00 0.00 H new ATOM 900 N LEU A 63 -4.210 -4.779 -10.168 1.00 0.00 N ATOM 901 CA LEU A 63 -5.178 -4.808 -8.991 1.00 0.00 C ATOM 902 C LEU A 63 -6.555 -5.151 -9.536 1.00 0.00 C ATOM 903 O LEU A 63 -6.677 -5.670 -10.643 1.00 0.00 O ATOM 904 CB LEU A 63 -5.257 -3.426 -8.247 1.00 0.00 C ATOM 905 CG LEU A 63 -3.911 -3.003 -7.726 1.00 0.00 C ATOM 906 CD1 LEU A 63 -3.993 -1.530 -7.273 1.00 0.00 C ATOM 907 CD2 LEU A 63 -3.561 -3.883 -6.542 1.00 0.00 C ATOM 0 H LEU A 63 -3.996 -3.848 -10.525 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.826 -5.546 -8.270 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.640 -2.666 -8.928 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.963 -3.497 -7.419 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.149 -3.102 -8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.022 -1.212 -6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.274 -0.904 -8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.741 -1.433 -6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.587 -3.593 -6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.316 -3.765 -5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.528 -4.925 -6.860 1.00 0.00 H new ATOM 919 N THR A 64 -7.592 -4.850 -8.779 1.00 0.00 N ATOM 920 CA THR A 64 -8.946 -5.129 -9.205 1.00 0.00 C ATOM 921 C THR A 64 -9.834 -4.229 -8.426 1.00 0.00 C ATOM 922 O THR A 64 -9.726 -4.151 -7.216 1.00 0.00 O ATOM 923 CB THR A 64 -9.291 -6.578 -8.914 1.00 0.00 C ATOM 924 OG1 THR A 64 -8.872 -6.911 -7.606 1.00 0.00 O ATOM 925 CG2 THR A 64 -8.573 -7.463 -9.912 1.00 0.00 C ATOM 0 H THR A 64 -7.520 -4.410 -7.862 1.00 0.00 H new ATOM 0 HA THR A 64 -9.063 -4.964 -10.276 1.00 0.00 H new ATOM 0 HB THR A 64 -10.368 -6.724 -8.995 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.097 -7.846 -7.419 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.814 -8.507 -9.712 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.891 -7.204 -10.922 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.497 -7.315 -9.821 1.00 0.00 H new ATOM 933 N LEU A 65 -10.671 -3.535 -9.104 1.00 0.00 N ATOM 934 CA LEU A 65 -11.604 -2.593 -8.453 1.00 0.00 C ATOM 935 C LEU A 65 -12.982 -2.757 -9.056 1.00 0.00 C ATOM 936 O LEU A 65 -13.273 -2.280 -10.139 1.00 0.00 O ATOM 937 CB LEU A 65 -11.096 -1.144 -8.554 1.00 0.00 C ATOM 938 CG LEU A 65 -10.229 -0.903 -9.813 1.00 0.00 C ATOM 939 CD1 LEU A 65 -11.084 -0.902 -11.066 1.00 0.00 C ATOM 940 CD2 LEU A 65 -9.515 0.448 -9.672 1.00 0.00 C ATOM 0 H LEU A 65 -10.756 -3.578 -10.120 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.664 -2.823 -7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.948 -0.465 -8.569 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.513 -0.905 -7.665 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.499 -1.707 -9.901 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.452 -0.731 -11.938 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.586 -1.865 -11.165 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.830 -0.110 -10.997 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.901 0.629 -10.554 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.255 1.242 -9.576 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.881 0.434 -8.785 1.00 0.00 H new ATOM 952 N GLY A 66 -13.825 -3.481 -8.353 1.00 0.00 N ATOM 953 CA GLY A 66 -15.203 -3.753 -8.830 1.00 0.00 C ATOM 954 C GLY A 66 -15.139 -4.799 -9.927 1.00 0.00 C ATOM 955 O GLY A 66 -15.946 -4.794 -10.847 1.00 0.00 O ATOM 0 H GLY A 66 -13.601 -3.899 -7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -15.825 -4.105 -8.007 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.660 -2.838 -9.206 1.00 0.00 H new ATOM 959 N GLY A 67 -14.163 -5.695 -9.843 1.00 0.00 N ATOM 960 CA GLY A 67 -14.004 -6.753 -10.876 1.00 0.00 C ATOM 961 C GLY A 67 -13.277 -6.180 -12.100 1.00 0.00 C ATOM 962 O GLY A 67 -13.215 -6.832 -13.136 1.00 0.00 O ATOM 0 H GLY A 67 -13.474 -5.725 -9.092 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.441 -7.592 -10.467 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -14.981 -7.138 -11.169 1.00 0.00 H new ATOM 966 N GLN A 68 -12.705 -4.960 -11.995 1.00 0.00 N ATOM 967 CA GLN A 68 -11.969 -4.372 -13.178 1.00 0.00 C ATOM 968 C GLN A 68 -10.471 -4.435 -12.910 1.00 0.00 C ATOM 969 O GLN A 68 -9.926 -3.663 -12.135 1.00 0.00 O ATOM 970 CB GLN A 68 -12.433 -2.933 -13.429 1.00 0.00 C ATOM 971 CG GLN A 68 -11.390 -2.092 -14.261 1.00 0.00 C ATOM 972 CD GLN A 68 -10.869 -2.901 -15.469 1.00 0.00 C ATOM 973 OE1 GLN A 68 -11.597 -3.687 -16.046 1.00 0.00 O ATOM 974 NE2 GLN A 68 -9.625 -2.740 -15.871 1.00 0.00 N ATOM 0 H GLN A 68 -12.724 -4.376 -11.159 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.189 -4.948 -14.077 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.385 -2.950 -13.959 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -12.610 -2.441 -12.473 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.855 -1.170 -14.609 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.555 -1.806 -13.622 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.014 -2.081 -15.388 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.273 -3.274 -16.665 1.00 0.00 H new ATOM 983 N LYS A 69 -9.819 -5.360 -13.550 1.00 0.00 N ATOM 984 CA LYS A 69 -8.354 -5.545 -13.377 1.00 0.00 C ATOM 985 C LYS A 69 -7.577 -4.345 -13.935 1.00 0.00 C ATOM 986 O LYS A 69 -7.452 -4.197 -15.150 1.00 0.00 O ATOM 987 CB LYS A 69 -7.932 -6.806 -14.142 1.00 0.00 C ATOM 988 CG LYS A 69 -7.054 -7.683 -13.255 1.00 0.00 C ATOM 989 CD LYS A 69 -7.346 -9.145 -13.560 1.00 0.00 C ATOM 990 CE LYS A 69 -6.085 -9.986 -13.316 1.00 0.00 C ATOM 991 NZ LYS A 69 -6.039 -10.417 -11.890 1.00 0.00 N ATOM 0 H LYS A 69 -10.252 -6.013 -14.203 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.132 -5.637 -12.314 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.814 -7.362 -14.458 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.389 -6.529 -15.046 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.001 -7.464 -13.433 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.250 -7.471 -12.204 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.161 -9.502 -12.930 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.672 -9.253 -14.594 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.085 -10.858 -13.970 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.196 -9.405 -13.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.184 -10.986 -11.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.019 -9.579 -11.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.881 -10.987 -11.672 1.00 0.00 H new ATOM 1005 N CYS A 70 -6.989 -3.531 -13.064 1.00 0.00 N ATOM 1006 CA CYS A 70 -6.142 -2.397 -13.541 1.00 0.00 C ATOM 1007 C CYS A 70 -4.696 -2.839 -13.339 1.00 0.00 C ATOM 1008 O CYS A 70 -4.449 -4.007 -13.077 1.00 0.00 O ATOM 1009 CB CYS A 70 -6.466 -1.112 -12.783 1.00 0.00 C ATOM 1010 SG CYS A 70 -6.595 -1.411 -11.003 1.00 0.00 S ATOM 0 H CYS A 70 -7.067 -3.614 -12.050 1.00 0.00 H new ATOM 0 HA CYS A 70 -6.329 -2.168 -14.590 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -5.691 -0.370 -12.974 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.403 -0.696 -13.153 1.00 0.00 H new ATOM 0 HG CYS A 70 -7.583 -2.223 -10.770 1.00 0.00 H new ATOM 1016 N SER A 71 -3.742 -1.967 -13.500 1.00 0.00 N ATOM 1017 CA SER A 71 -2.304 -2.422 -13.382 1.00 0.00 C ATOM 1018 C SER A 71 -1.397 -1.418 -12.729 1.00 0.00 C ATOM 1019 O SER A 71 -0.973 -0.444 -13.343 1.00 0.00 O ATOM 1020 CB SER A 71 -1.797 -2.669 -14.746 1.00 0.00 C ATOM 1021 OG SER A 71 -1.901 -1.450 -15.477 1.00 0.00 O ATOM 0 H SER A 71 -3.877 -0.977 -13.704 1.00 0.00 H new ATOM 0 HA SER A 71 -2.300 -3.312 -12.752 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.761 -3.007 -14.713 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.374 -3.456 -15.231 1.00 0.00 H new ATOM 0 HG SER A 71 -2.846 -1.229 -15.612 1.00 0.00 H new ATOM 1027 N VAL A 72 -1.044 -1.675 -11.514 1.00 0.00 N ATOM 1028 CA VAL A 72 -0.111 -0.775 -10.762 1.00 0.00 C ATOM 1029 C VAL A 72 1.084 -0.409 -11.602 1.00 0.00 C ATOM 1030 O VAL A 72 1.819 -1.263 -12.095 1.00 0.00 O ATOM 1031 CB VAL A 72 0.394 -1.453 -9.523 1.00 0.00 C ATOM 1032 CG1 VAL A 72 1.113 -0.428 -8.635 1.00 0.00 C ATOM 1033 CG2 VAL A 72 -0.767 -2.079 -8.766 1.00 0.00 C ATOM 0 H VAL A 72 -1.364 -2.488 -10.987 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.674 0.122 -10.503 1.00 0.00 H new ATOM 0 HB VAL A 72 1.096 -2.240 -9.801 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.480 -0.921 -7.735 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.953 0.001 -9.182 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.418 0.364 -8.357 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.393 -2.570 -7.867 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.479 -1.303 -8.486 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.262 -2.814 -9.401 1.00 0.00 H new ATOM 1043 N ILE A 73 1.285 0.855 -11.719 1.00 0.00 N ATOM 1044 CA ILE A 73 2.411 1.391 -12.449 1.00 0.00 C ATOM 1045 C ILE A 73 3.002 2.499 -11.548 1.00 0.00 C ATOM 1046 O ILE A 73 2.812 3.653 -11.736 1.00 0.00 O ATOM 1047 CB ILE A 73 1.968 1.892 -13.827 1.00 0.00 C ATOM 1048 CG1 ILE A 73 1.573 0.656 -14.713 1.00 0.00 C ATOM 1049 CG2 ILE A 73 3.114 2.669 -14.502 1.00 0.00 C ATOM 1050 CD1 ILE A 73 0.538 1.041 -15.814 1.00 0.00 C ATOM 0 H ILE A 73 0.675 1.565 -11.312 1.00 0.00 H new ATOM 0 HA ILE A 73 3.175 0.642 -12.659 1.00 0.00 H new ATOM 0 HB ILE A 73 1.113 2.558 -13.715 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.467 0.244 -15.182 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.156 -0.127 -14.080 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.788 3.021 -15.481 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.389 3.523 -13.883 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.977 2.014 -14.621 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.291 0.159 -16.405 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.366 1.428 -15.344 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.965 1.805 -16.464 1.00 0.00 H new ATOM 1062 N ARG A 74 3.654 2.044 -10.521 1.00 0.00 N ATOM 1063 CA ARG A 74 4.319 2.884 -9.427 1.00 0.00 C ATOM 1064 C ARG A 74 3.556 2.647 -8.127 1.00 0.00 C ATOM 1065 O ARG A 74 2.841 3.523 -7.637 1.00 0.00 O ATOM 1066 CB ARG A 74 4.365 4.402 -9.752 1.00 0.00 C ATOM 1067 CG ARG A 74 5.469 5.079 -8.925 1.00 0.00 C ATOM 1068 CD ARG A 74 6.852 4.585 -9.374 1.00 0.00 C ATOM 1069 NE ARG A 74 7.577 5.695 -10.059 1.00 0.00 N ATOM 1070 CZ ARG A 74 8.253 5.456 -11.150 1.00 0.00 C ATOM 1071 NH1 ARG A 74 9.014 4.400 -11.228 1.00 0.00 N ATOM 1072 NH2 ARG A 74 8.173 6.273 -12.162 1.00 0.00 N ATOM 0 H ARG A 74 3.774 1.043 -10.365 1.00 0.00 H new ATOM 0 HA ARG A 74 5.359 2.569 -9.344 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.552 4.550 -10.816 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.401 4.860 -9.532 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.407 6.161 -9.040 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.324 4.862 -7.867 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.424 4.239 -8.513 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.745 3.735 -10.048 1.00 0.00 H new ATOM 0 HE ARG A 74 7.544 6.639 -9.675 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.081 3.760 -10.436 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.542 4.214 -12.081 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.581 7.102 -12.103 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.702 6.084 -13.013 1.00 0.00 H new ATOM 1086 N ASP A 75 3.694 1.449 -7.555 1.00 0.00 N ATOM 1087 CA ASP A 75 2.971 1.146 -6.293 1.00 0.00 C ATOM 1088 C ASP A 75 3.581 1.935 -5.158 1.00 0.00 C ATOM 1089 O ASP A 75 4.647 1.609 -4.648 1.00 0.00 O ATOM 1090 CB ASP A 75 2.925 -0.403 -6.000 1.00 0.00 C ATOM 1091 CG ASP A 75 2.905 -0.722 -4.482 1.00 0.00 C ATOM 1092 OD1 ASP A 75 3.965 -0.713 -3.881 1.00 0.00 O ATOM 1093 OD2 ASP A 75 1.831 -0.971 -3.962 1.00 0.00 O ATOM 0 H ASP A 75 4.273 0.692 -7.918 1.00 0.00 H new ATOM 0 HA ASP A 75 1.931 1.455 -6.399 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.040 -0.832 -6.469 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.791 -0.881 -6.457 1.00 0.00 H new ATOM 1098 N SER A 76 2.875 2.960 -4.747 1.00 0.00 N ATOM 1099 CA SER A 76 3.334 3.802 -3.617 1.00 0.00 C ATOM 1100 C SER A 76 2.094 4.180 -2.785 1.00 0.00 C ATOM 1101 O SER A 76 2.002 5.244 -2.252 1.00 0.00 O ATOM 1102 CB SER A 76 4.062 5.059 -4.149 1.00 0.00 C ATOM 1103 OG SER A 76 5.383 4.705 -4.539 1.00 0.00 O ATOM 0 H SER A 76 1.987 3.247 -5.158 1.00 0.00 H new ATOM 0 HA SER A 76 4.045 3.261 -2.992 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.519 5.476 -4.997 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.092 5.830 -3.379 1.00 0.00 H new ATOM 0 HG SER A 76 5.468 3.729 -4.556 1.00 0.00 H new ATOM 1109 N LEU A 77 1.143 3.253 -2.699 1.00 0.00 N ATOM 1110 CA LEU A 77 -0.152 3.456 -1.918 1.00 0.00 C ATOM 1111 C LEU A 77 0.106 3.449 -0.444 1.00 0.00 C ATOM 1112 O LEU A 77 -0.735 3.901 0.324 1.00 0.00 O ATOM 1113 CB LEU A 77 -1.077 2.291 -2.294 1.00 0.00 C ATOM 1114 CG LEU A 77 -2.562 2.600 -2.110 1.00 0.00 C ATOM 1115 CD1 LEU A 77 -2.920 3.930 -2.775 1.00 0.00 C ATOM 1116 CD2 LEU A 77 -3.355 1.473 -2.787 1.00 0.00 C ATOM 0 H LEU A 77 1.211 2.340 -3.149 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.601 4.419 -2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.898 2.018 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.818 1.423 -1.688 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.798 2.671 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.981 4.133 -2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.334 4.731 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.700 3.875 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.423 1.661 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.102 1.436 -3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.104 0.520 -2.321 1.00 0.00 H new ATOM 1128 N LEU A 78 1.258 2.989 -0.017 1.00 0.00 N ATOM 1129 CA LEU A 78 1.560 3.009 1.417 1.00 0.00 C ATOM 1130 C LEU A 78 2.521 4.156 1.681 1.00 0.00 C ATOM 1131 O LEU A 78 3.534 4.276 1.053 1.00 0.00 O ATOM 1132 CB LEU A 78 2.062 1.666 1.838 1.00 0.00 C ATOM 1133 CG LEU A 78 0.929 0.629 1.577 1.00 0.00 C ATOM 1134 CD1 LEU A 78 1.499 -0.756 1.264 1.00 0.00 C ATOM 1135 CD2 LEU A 78 0.027 0.524 2.810 1.00 0.00 C ATOM 0 H LEU A 78 1.991 2.604 -0.613 1.00 0.00 H new ATOM 0 HA LEU A 78 0.674 3.192 2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.959 1.401 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.336 1.674 2.893 1.00 0.00 H new ATOM 0 HG LEU A 78 0.357 0.974 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.681 -1.455 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.126 -0.699 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.096 -1.103 2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.763 -0.203 2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.619 0.203 3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.417 1.497 3.020 1.00 0.00 H new ATOM 1183 N GLU A 82 4.145 9.127 -0.247 1.00 0.00 N ATOM 1184 CA GLU A 82 3.449 9.080 -1.558 1.00 0.00 C ATOM 1185 C GLU A 82 1.957 8.625 -1.487 1.00 0.00 C ATOM 1186 O GLU A 82 1.075 9.289 -2.002 1.00 0.00 O ATOM 1187 CB GLU A 82 4.176 8.051 -2.385 1.00 0.00 C ATOM 1188 CG GLU A 82 5.304 8.681 -3.192 1.00 0.00 C ATOM 1189 CD GLU A 82 6.636 8.473 -2.462 1.00 0.00 C ATOM 1190 OE1 GLU A 82 6.907 7.347 -2.077 1.00 0.00 O ATOM 1191 OE2 GLU A 82 7.361 9.442 -2.300 1.00 0.00 O ATOM 0 HA GLU A 82 3.454 10.091 -1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.582 7.278 -1.732 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.473 7.562 -3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.348 8.234 -4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.116 9.746 -3.330 1.00 0.00 H new ATOM 1198 N PHE A 83 1.722 7.437 -0.963 1.00 0.00 N ATOM 1199 CA PHE A 83 0.331 6.796 -0.954 1.00 0.00 C ATOM 1200 C PHE A 83 -0.318 6.793 -2.375 1.00 0.00 C ATOM 1201 O PHE A 83 -1.485 6.503 -2.481 1.00 0.00 O ATOM 1202 CB PHE A 83 -0.673 7.426 0.002 1.00 0.00 C ATOM 1203 CG PHE A 83 -0.235 8.756 0.532 1.00 0.00 C ATOM 1204 CD1 PHE A 83 0.636 8.806 1.602 1.00 0.00 C ATOM 1205 CD2 PHE A 83 -0.714 9.938 -0.055 1.00 0.00 C ATOM 1206 CE1 PHE A 83 1.053 10.045 2.110 1.00 0.00 C ATOM 1207 CE2 PHE A 83 -0.305 11.178 0.446 1.00 0.00 C ATOM 1208 CZ PHE A 83 0.580 11.233 1.530 1.00 0.00 C ATOM 0 H PHE A 83 2.444 6.862 -0.529 1.00 0.00 H new ATOM 0 HA PHE A 83 0.534 5.784 -0.603 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.627 7.544 -0.511 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.842 6.748 0.838 1.00 0.00 H new ATOM 0 HD1 PHE A 83 0.996 7.891 2.048 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.396 9.890 -0.891 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.736 10.085 2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.671 12.090 -0.002 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.898 12.189 1.920 1.00 0.00 H new ATOM 1218 N SER A 84 0.411 7.086 -3.455 1.00 0.00 N ATOM 1219 CA SER A 84 -0.231 7.080 -4.825 1.00 0.00 C ATOM 1220 C SER A 84 0.239 5.883 -5.602 1.00 0.00 C ATOM 1221 O SER A 84 1.375 5.446 -5.483 1.00 0.00 O ATOM 1222 CB SER A 84 0.123 8.357 -5.566 1.00 0.00 C ATOM 1223 OG SER A 84 1.515 8.617 -5.422 1.00 0.00 O ATOM 0 H SER A 84 1.403 7.324 -3.441 1.00 0.00 H new ATOM 0 HA SER A 84 -1.314 7.026 -4.714 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.133 8.261 -6.621 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.457 9.192 -5.172 1.00 0.00 H new ATOM 0 HG SER A 84 1.745 9.440 -5.901 1.00 0.00 H new ATOM 1229 N MET A 85 -0.652 5.336 -6.375 1.00 0.00 N ATOM 1230 CA MET A 85 -0.350 4.125 -7.176 1.00 0.00 C ATOM 1231 C MET A 85 -0.938 4.318 -8.573 1.00 0.00 C ATOM 1232 O MET A 85 -2.094 4.617 -8.696 1.00 0.00 O ATOM 1233 CB MET A 85 -1.045 2.980 -6.466 1.00 0.00 C ATOM 1234 CG MET A 85 -0.455 1.643 -6.832 1.00 0.00 C ATOM 1235 SD MET A 85 -0.123 0.717 -5.315 1.00 0.00 S ATOM 1236 CE MET A 85 -0.872 -0.822 -5.802 1.00 0.00 C ATOM 0 H MET A 85 -1.602 5.689 -6.487 1.00 0.00 H new ATOM 0 HA MET A 85 0.719 3.933 -7.272 1.00 0.00 H new ATOM 0 HB2 MET A 85 -0.972 3.125 -5.388 1.00 0.00 H new ATOM 0 HB3 MET A 85 -2.106 2.989 -6.718 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.144 1.088 -7.469 1.00 0.00 H new ATOM 0 HG3 MET A 85 0.465 1.779 -7.400 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.483 -1.204 -4.984 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.499 -0.660 -6.679 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.093 -1.546 -6.041 1.00 0.00 H new ATOM 1246 N ASP A 86 -0.157 4.166 -9.640 1.00 0.00 N ATOM 1247 CA ASP A 86 -0.735 4.373 -11.015 1.00 0.00 C ATOM 1248 C ASP A 86 -1.242 3.044 -11.576 1.00 0.00 C ATOM 1249 O ASP A 86 -0.610 2.442 -12.439 1.00 0.00 O ATOM 1250 CB ASP A 86 0.335 4.923 -11.896 1.00 0.00 C ATOM 1251 CG ASP A 86 0.321 6.449 -11.866 1.00 0.00 C ATOM 1252 OD1 ASP A 86 0.342 6.998 -10.780 1.00 0.00 O ATOM 1253 OD2 ASP A 86 0.286 7.043 -12.933 1.00 0.00 O ATOM 0 H ASP A 86 0.831 3.914 -9.613 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.574 5.068 -10.966 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.308 4.556 -11.569 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.189 4.572 -12.918 1.00 0.00 H new ATOM 1258 N LEU A 87 -2.406 2.588 -11.148 1.00 0.00 N ATOM 1259 CA LEU A 87 -2.912 1.302 -11.691 1.00 0.00 C ATOM 1260 C LEU A 87 -3.829 1.591 -12.846 1.00 0.00 C ATOM 1261 O LEU A 87 -4.865 2.204 -12.705 1.00 0.00 O ATOM 1262 CB LEU A 87 -3.540 0.346 -10.614 1.00 0.00 C ATOM 1263 CG LEU A 87 -4.204 1.049 -9.405 1.00 0.00 C ATOM 1264 CD1 LEU A 87 -3.187 1.828 -8.583 1.00 0.00 C ATOM 1265 CD2 LEU A 87 -5.329 1.954 -9.882 1.00 0.00 C ATOM 0 H LEU A 87 -3.006 3.047 -10.462 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.058 0.728 -12.052 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.286 -0.282 -11.102 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.759 -0.317 -10.242 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.624 0.282 -8.754 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.689 2.308 -7.743 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.424 1.146 -8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.719 2.588 -9.209 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.790 2.444 -9.025 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.927 2.708 -10.558 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.077 1.359 -10.406 1.00 0.00 H new ATOM 1277 N ARG A 88 -3.381 1.215 -14.036 1.00 0.00 N ATOM 1278 CA ARG A 88 -4.163 1.534 -15.276 1.00 0.00 C ATOM 1279 C ARG A 88 -4.784 0.302 -15.904 1.00 0.00 C ATOM 1280 O ARG A 88 -4.222 -0.780 -15.882 1.00 0.00 O ATOM 1281 CB ARG A 88 -3.222 2.249 -16.309 1.00 0.00 C ATOM 1282 CG ARG A 88 -2.490 1.260 -17.314 1.00 0.00 C ATOM 1283 CD ARG A 88 -1.872 2.102 -18.428 1.00 0.00 C ATOM 1284 NE ARG A 88 -0.412 1.827 -18.525 1.00 0.00 N ATOM 1285 CZ ARG A 88 0.388 2.723 -19.035 1.00 0.00 C ATOM 1286 NH1 ARG A 88 0.305 3.969 -18.655 1.00 0.00 N ATOM 1287 NH2 ARG A 88 1.272 2.372 -19.926 1.00 0.00 N ATOM 0 H ARG A 88 -2.512 0.704 -14.193 1.00 0.00 H new ATOM 0 HA ARG A 88 -4.984 2.192 -14.992 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.809 2.965 -16.884 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.469 2.819 -15.764 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.720 0.688 -16.795 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.198 0.541 -17.726 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.357 1.876 -19.378 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.038 3.161 -18.230 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.037 0.938 -18.193 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.387 4.245 -17.958 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.932 4.667 -19.055 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.338 1.399 -20.223 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.898 3.071 -20.326 1.00 0.00 H new ATOM 1301 N THR A 89 -5.917 0.498 -16.537 1.00 0.00 N ATOM 1302 CA THR A 89 -6.588 -0.609 -17.262 1.00 0.00 C ATOM 1303 C THR A 89 -5.707 -0.917 -18.455 1.00 0.00 C ATOM 1304 O THR A 89 -5.604 -0.100 -19.355 1.00 0.00 O ATOM 1305 CB THR A 89 -8.004 -0.173 -17.751 1.00 0.00 C ATOM 1306 OG1 THR A 89 -7.914 0.554 -18.975 1.00 0.00 O ATOM 1307 CG2 THR A 89 -8.695 0.707 -16.697 1.00 0.00 C ATOM 0 H THR A 89 -6.405 1.393 -16.578 1.00 0.00 H new ATOM 0 HA THR A 89 -6.721 -1.477 -16.616 1.00 0.00 H new ATOM 0 HB THR A 89 -8.591 -1.077 -17.910 1.00 0.00 H new ATOM 0 HG1 THR A 89 -6.983 0.815 -19.133 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.681 1.000 -17.058 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.800 0.147 -15.768 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.094 1.599 -16.517 1.00 0.00 H new ATOM 1315 N LYS A 90 -5.042 -2.038 -18.481 1.00 0.00 N ATOM 1316 CA LYS A 90 -4.174 -2.310 -19.602 1.00 0.00 C ATOM 1317 C LYS A 90 -4.978 -3.148 -20.594 1.00 0.00 C ATOM 1318 O LYS A 90 -5.853 -3.919 -20.212 1.00 0.00 O ATOM 1319 CB LYS A 90 -2.918 -3.033 -19.158 1.00 0.00 C ATOM 1320 CG LYS A 90 -2.540 -2.714 -17.724 1.00 0.00 C ATOM 1321 CD LYS A 90 -1.019 -2.982 -17.577 1.00 0.00 C ATOM 1322 CE LYS A 90 -0.786 -4.395 -17.002 1.00 0.00 C ATOM 1323 NZ LYS A 90 0.163 -5.155 -17.876 1.00 0.00 N ATOM 0 H LYS A 90 -5.078 -2.762 -17.764 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.843 -1.382 -20.068 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.066 -4.108 -19.261 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.094 -2.760 -19.817 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.772 -1.676 -17.487 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.108 -3.333 -17.030 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.530 -2.890 -18.547 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.571 -2.235 -16.921 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.384 -4.323 -15.991 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.734 -4.928 -16.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.314 -6.105 -17.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.236 -5.237 -18.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.072 -4.651 -17.922 1.00 0.00 H new ATOM 1434 N ASN A 99 -6.566 4.689 -17.459 1.00 0.00 N ATOM 1435 CA ASN A 99 -5.698 4.737 -16.244 1.00 0.00 C ATOM 1436 C ASN A 99 -6.469 5.188 -15.009 1.00 0.00 C ATOM 1437 O ASN A 99 -7.481 5.867 -15.087 1.00 0.00 O ATOM 1438 CB ASN A 99 -4.452 5.648 -16.488 1.00 0.00 C ATOM 1439 CG ASN A 99 -3.982 5.634 -17.974 1.00 0.00 C ATOM 1440 OD1 ASN A 99 -2.713 5.506 -18.221 1.00 0.00 O flip ATOM 1441 ND2 ASN A 99 -4.754 5.756 -18.892 1.00 0.00 N flip ATOM 0 HA ASN A 99 -5.351 3.722 -16.053 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -4.691 6.671 -16.196 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -3.634 5.317 -15.849 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -5.752 5.857 -18.709 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -4.409 5.758 -19.852 1.00 0.00 H new ATOM 1448 N VAL A 100 -5.970 4.777 -13.864 1.00 0.00 N ATOM 1449 CA VAL A 100 -6.588 5.094 -12.554 1.00 0.00 C ATOM 1450 C VAL A 100 -5.460 5.408 -11.573 1.00 0.00 C ATOM 1451 O VAL A 100 -4.464 4.683 -11.523 1.00 0.00 O ATOM 1452 CB VAL A 100 -7.311 3.845 -12.008 1.00 0.00 C ATOM 1453 CG1 VAL A 100 -8.175 4.222 -10.819 1.00 0.00 C ATOM 1454 CG2 VAL A 100 -8.188 3.208 -13.102 1.00 0.00 C ATOM 0 H VAL A 100 -5.124 4.212 -13.793 1.00 0.00 H new ATOM 0 HA VAL A 100 -7.285 5.924 -12.668 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.559 3.122 -11.693 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.681 3.334 -10.441 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.549 4.645 -10.034 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.917 4.959 -11.127 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.690 2.328 -12.699 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.933 3.930 -13.437 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -7.562 2.914 -13.945 1.00 0.00 H new ATOM 1464 N THR A 101 -5.627 6.405 -10.747 1.00 0.00 N ATOM 1465 CA THR A 101 -4.620 6.702 -9.711 1.00 0.00 C ATOM 1466 C THR A 101 -5.306 6.332 -8.443 1.00 0.00 C ATOM 1467 O THR A 101 -6.446 6.687 -8.243 1.00 0.00 O ATOM 1468 CB THR A 101 -4.238 8.190 -9.707 1.00 0.00 C ATOM 1469 OG1 THR A 101 -3.495 8.486 -10.883 1.00 0.00 O ATOM 1470 CG2 THR A 101 -3.383 8.504 -8.453 1.00 0.00 C ATOM 0 H THR A 101 -6.433 7.030 -10.753 1.00 0.00 H new ATOM 0 HA THR A 101 -3.687 6.161 -9.870 1.00 0.00 H new ATOM 0 HB THR A 101 -5.141 8.800 -9.685 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.543 8.323 -10.718 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.113 9.560 -8.452 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.957 8.275 -7.555 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.477 7.898 -8.469 1.00 0.00 H new ATOM 1478 N VAL A 102 -4.653 5.614 -7.603 1.00 0.00 N ATOM 1479 CA VAL A 102 -5.281 5.174 -6.365 1.00 0.00 C ATOM 1480 C VAL A 102 -4.430 5.627 -5.213 1.00 0.00 C ATOM 1481 O VAL A 102 -3.277 5.268 -5.103 1.00 0.00 O ATOM 1482 CB VAL A 102 -5.452 3.638 -6.468 1.00 0.00 C ATOM 1483 CG1 VAL A 102 -5.567 2.970 -5.081 1.00 0.00 C ATOM 1484 CG2 VAL A 102 -6.717 3.365 -7.250 1.00 0.00 C ATOM 0 H VAL A 102 -3.688 5.309 -7.729 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.268 5.606 -6.198 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.573 3.222 -6.960 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -5.685 1.893 -5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.665 3.172 -4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -6.432 3.372 -4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -6.864 2.289 -7.339 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.568 3.806 -6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -6.632 3.803 -8.244 1.00 0.00 H new ATOM 1494 N THR A 103 -5.017 6.429 -4.356 1.00 0.00 N ATOM 1495 CA THR A 103 -4.297 6.948 -3.179 1.00 0.00 C ATOM 1496 C THR A 103 -4.856 6.264 -1.933 1.00 0.00 C ATOM 1497 O THR A 103 -5.944 5.698 -1.967 1.00 0.00 O ATOM 1498 CB THR A 103 -4.456 8.469 -3.059 1.00 0.00 C ATOM 1499 OG1 THR A 103 -5.809 8.834 -3.271 1.00 0.00 O ATOM 1500 CG2 THR A 103 -3.560 9.159 -4.093 1.00 0.00 C ATOM 0 H THR A 103 -5.984 6.744 -4.436 1.00 0.00 H new ATOM 0 HA THR A 103 -3.233 6.735 -3.285 1.00 0.00 H new ATOM 0 HB THR A 103 -4.161 8.784 -2.058 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.972 8.943 -4.231 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.672 10.240 -4.008 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.520 8.887 -3.912 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.849 8.841 -5.095 1.00 0.00 H new ATOM 1508 N LYS A 104 -4.121 6.296 -0.846 1.00 0.00 N ATOM 1509 CA LYS A 104 -4.584 5.640 0.414 1.00 0.00 C ATOM 1510 C LYS A 104 -4.170 6.484 1.612 1.00 0.00 C ATOM 1511 O LYS A 104 -3.070 7.022 1.659 1.00 0.00 O ATOM 1512 CB LYS A 104 -3.946 4.243 0.518 1.00 0.00 C ATOM 1513 CG LYS A 104 -4.300 3.575 1.874 1.00 0.00 C ATOM 1514 CD LYS A 104 -5.085 2.284 1.632 1.00 0.00 C ATOM 1515 CE LYS A 104 -4.159 1.077 1.806 1.00 0.00 C ATOM 1516 NZ LYS A 104 -3.377 0.864 0.556 1.00 0.00 N ATOM 0 H LYS A 104 -3.212 6.754 -0.780 1.00 0.00 H new ATOM 0 HA LYS A 104 -5.670 5.547 0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.295 3.617 -0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.864 4.324 0.419 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.388 3.357 2.430 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.889 4.260 2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.919 2.218 2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -5.509 2.288 0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.484 1.242 2.646 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.744 0.187 2.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -3.103 -0.137 0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -3.959 1.123 -0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.523 1.457 0.576 1.00 0.00 H new ATOM 1530 N THR A 105 -5.039 6.559 2.591 1.00 0.00 N ATOM 1531 CA THR A 105 -4.731 7.319 3.838 1.00 0.00 C ATOM 1532 C THR A 105 -4.475 6.286 4.958 1.00 0.00 C ATOM 1533 O THR A 105 -3.965 5.205 4.684 1.00 0.00 O ATOM 1534 CB THR A 105 -5.915 8.249 4.195 1.00 0.00 C ATOM 1535 OG1 THR A 105 -7.022 7.469 4.609 1.00 0.00 O ATOM 1536 CG2 THR A 105 -6.310 9.096 2.975 1.00 0.00 C ATOM 0 H THR A 105 -5.959 6.120 2.576 1.00 0.00 H new ATOM 0 HA THR A 105 -3.851 7.949 3.707 1.00 0.00 H new ATOM 0 HB THR A 105 -5.613 8.913 5.005 1.00 0.00 H new ATOM 0 HG1 THR A 105 -7.599 7.286 3.839 1.00 0.00 H new ATOM 0 HG21 THR A 105 -7.144 9.746 3.238 1.00 0.00 H new ATOM 0 HG22 THR A 105 -5.460 9.704 2.663 1.00 0.00 H new ATOM 0 HG23 THR A 105 -6.606 8.440 2.157 1.00 0.00 H new ATOM 1544 N ASP A 106 -4.817 6.597 6.205 1.00 0.00 N ATOM 1545 CA ASP A 106 -4.587 5.621 7.322 1.00 0.00 C ATOM 1546 C ASP A 106 -5.858 4.785 7.568 1.00 0.00 C ATOM 1547 O ASP A 106 -5.802 3.749 8.217 1.00 0.00 O ATOM 1548 CB ASP A 106 -4.218 6.386 8.586 1.00 0.00 C ATOM 1549 CG ASP A 106 -3.505 5.452 9.567 1.00 0.00 C ATOM 1550 OD1 ASP A 106 -4.042 4.394 9.846 1.00 0.00 O ATOM 1551 OD2 ASP A 106 -2.431 5.812 10.022 1.00 0.00 O ATOM 0 H ASP A 106 -5.242 7.481 6.486 1.00 0.00 H new ATOM 0 HA ASP A 106 -3.774 4.947 7.051 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.573 7.228 8.337 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -5.115 6.798 9.048 1.00 0.00 H new ATOM 1556 N LYS A 107 -7.010 5.236 7.065 1.00 0.00 N ATOM 1557 CA LYS A 107 -8.295 4.477 7.282 1.00 0.00 C ATOM 1558 C LYS A 107 -9.129 4.406 6.002 1.00 0.00 C ATOM 1559 O LYS A 107 -10.225 3.883 6.029 1.00 0.00 O ATOM 1560 CB LYS A 107 -9.130 5.217 8.333 1.00 0.00 C ATOM 1561 CG LYS A 107 -8.967 4.554 9.675 1.00 0.00 C ATOM 1562 CD LYS A 107 -9.377 5.529 10.777 1.00 0.00 C ATOM 1563 CE LYS A 107 -10.883 5.781 10.699 1.00 0.00 C ATOM 1564 NZ LYS A 107 -11.268 6.803 11.711 1.00 0.00 N ATOM 0 H LYS A 107 -7.105 6.092 6.519 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.039 3.466 7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -8.816 6.259 8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -10.181 5.216 8.042 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.579 3.654 9.725 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.932 4.243 9.816 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.116 5.122 11.754 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.834 6.468 10.667 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.154 6.123 9.700 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.427 4.854 10.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.292 6.975 11.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.023 6.460 12.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.758 7.689 11.521 1.00 0.00 H new ATOM 1578 N THR A 108 -8.664 4.962 4.902 1.00 0.00 N ATOM 1579 CA THR A 108 -9.487 4.962 3.676 1.00 0.00 C ATOM 1580 C THR A 108 -8.675 4.452 2.496 1.00 0.00 C ATOM 1581 O THR A 108 -7.462 4.289 2.575 1.00 0.00 O ATOM 1582 CB THR A 108 -9.978 6.391 3.439 1.00 0.00 C ATOM 1583 OG1 THR A 108 -8.892 7.212 3.023 1.00 0.00 O ATOM 1584 CG2 THR A 108 -10.568 6.934 4.760 1.00 0.00 C ATOM 0 H THR A 108 -7.752 5.410 4.815 1.00 0.00 H new ATOM 0 HA THR A 108 -10.343 4.297 3.788 1.00 0.00 H new ATOM 0 HB THR A 108 -10.740 6.398 2.660 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.741 7.093 2.062 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.923 7.953 4.608 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.400 6.303 5.074 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.798 6.929 5.531 1.00 0.00 H new ATOM 1592 N LEU A 109 -9.351 4.195 1.419 1.00 0.00 N ATOM 1593 CA LEU A 109 -8.706 3.682 0.183 1.00 0.00 C ATOM 1594 C LEU A 109 -9.267 4.524 -0.967 1.00 0.00 C ATOM 1595 O LEU A 109 -10.287 4.173 -1.550 1.00 0.00 O ATOM 1596 CB LEU A 109 -9.130 2.197 0.018 1.00 0.00 C ATOM 1597 CG LEU A 109 -8.065 1.287 -0.673 1.00 0.00 C ATOM 1598 CD1 LEU A 109 -8.785 0.347 -1.633 1.00 0.00 C ATOM 1599 CD2 LEU A 109 -7.045 2.077 -1.460 1.00 0.00 C ATOM 0 H LEU A 109 -10.360 4.324 1.341 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.618 3.744 0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.355 1.786 1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.052 2.159 -0.562 1.00 0.00 H new ATOM 0 HG LEU A 109 -7.535 0.746 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.057 -0.297 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.495 -0.266 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.319 0.931 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -6.330 1.394 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.550 2.650 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -6.518 2.759 -0.792 1.00 0.00 H new ATOM 1611 N VAL A 110 -8.638 5.651 -1.295 1.00 0.00 N ATOM 1612 CA VAL A 110 -9.194 6.502 -2.360 1.00 0.00 C ATOM 1613 C VAL A 110 -8.733 5.972 -3.691 1.00 0.00 C ATOM 1614 O VAL A 110 -7.596 5.575 -3.846 1.00 0.00 O ATOM 1615 CB VAL A 110 -8.736 7.995 -2.149 1.00 0.00 C ATOM 1616 CG1 VAL A 110 -8.708 8.758 -3.485 1.00 0.00 C ATOM 1617 CG2 VAL A 110 -9.729 8.712 -1.208 1.00 0.00 C ATOM 0 H VAL A 110 -7.779 5.991 -0.863 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.283 6.483 -2.330 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.734 7.981 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.389 9.785 -3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.010 8.272 -4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.705 8.758 -3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -9.412 9.745 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.725 8.698 -1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.752 8.201 -0.246 1.00 0.00 H new ATOM 1627 N LEU A 111 -9.605 6.027 -4.655 1.00 0.00 N ATOM 1628 CA LEU A 111 -9.261 5.616 -6.022 1.00 0.00 C ATOM 1629 C LEU A 111 -9.700 6.750 -6.931 1.00 0.00 C ATOM 1630 O LEU A 111 -10.590 7.531 -6.591 1.00 0.00 O ATOM 1631 CB LEU A 111 -9.979 4.306 -6.455 1.00 0.00 C ATOM 1632 CG LEU A 111 -10.052 3.302 -5.303 1.00 0.00 C ATOM 1633 CD1 LEU A 111 -10.838 2.070 -5.745 1.00 0.00 C ATOM 1634 CD2 LEU A 111 -8.671 2.856 -4.887 1.00 0.00 C ATOM 0 H LEU A 111 -10.566 6.350 -4.539 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.191 5.416 -6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.986 4.539 -6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.448 3.859 -7.296 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.543 3.791 -4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.889 1.356 -4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.847 2.366 -6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.340 1.607 -6.597 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.751 2.143 -4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.172 2.383 -5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -8.092 3.720 -4.561 1.00 0.00 H new ATOM 1646 N LEU A 112 -9.096 6.850 -8.062 1.00 0.00 N ATOM 1647 CA LEU A 112 -9.444 7.898 -9.024 1.00 0.00 C ATOM 1648 C LEU A 112 -9.469 7.248 -10.364 1.00 0.00 C ATOM 1649 O LEU A 112 -8.441 6.974 -10.945 1.00 0.00 O ATOM 1650 CB LEU A 112 -8.368 8.987 -9.017 1.00 0.00 C ATOM 1651 CG LEU A 112 -8.641 10.090 -10.086 1.00 0.00 C ATOM 1652 CD1 LEU A 112 -10.090 10.528 -10.065 1.00 0.00 C ATOM 1653 CD2 LEU A 112 -7.735 11.288 -9.814 1.00 0.00 C ATOM 0 H LEU A 112 -8.350 6.226 -8.368 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.402 8.355 -8.777 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.322 9.444 -8.029 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.394 8.535 -9.204 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.429 9.677 -11.072 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.249 11.297 -10.821 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.732 9.673 -10.277 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.334 10.930 -9.082 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.922 12.062 -10.558 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.943 11.683 -8.820 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.692 10.976 -9.869 1.00 0.00 H new ATOM 1665 N MET A 113 -10.605 7.006 -10.872 1.00 0.00 N ATOM 1666 CA MET A 113 -10.664 6.359 -12.224 1.00 0.00 C ATOM 1667 C MET A 113 -10.817 7.414 -13.221 1.00 0.00 C ATOM 1668 O MET A 113 -11.444 8.432 -12.949 1.00 0.00 O ATOM 1669 CB MET A 113 -11.815 5.409 -12.344 1.00 0.00 C ATOM 1670 CG MET A 113 -11.555 4.429 -13.501 1.00 0.00 C ATOM 1671 SD MET A 113 -13.125 3.991 -14.288 1.00 0.00 S ATOM 1672 CE MET A 113 -12.594 2.419 -15.011 1.00 0.00 C ATOM 0 H MET A 113 -11.505 7.214 -10.439 1.00 0.00 H new ATOM 0 HA MET A 113 -9.748 5.788 -12.376 1.00 0.00 H new ATOM 0 HB2 MET A 113 -11.946 4.860 -11.411 1.00 0.00 H new ATOM 0 HB3 MET A 113 -12.738 5.961 -12.521 1.00 0.00 H new ATOM 0 HG2 MET A 113 -10.884 4.882 -14.231 1.00 0.00 H new ATOM 0 HG3 MET A 113 -11.061 3.532 -13.128 1.00 0.00 H new ATOM 0 HE1 MET A 113 -13.047 2.300 -15.995 1.00 0.00 H new ATOM 0 HE2 MET A 113 -11.508 2.411 -15.108 1.00 0.00 H new ATOM 0 HE3 MET A 113 -12.906 1.598 -14.366 1.00 0.00 H new ATOM 1682 N GLY A 114 -10.231 7.221 -14.378 1.00 0.00 N ATOM 1683 CA GLY A 114 -10.339 8.262 -15.408 1.00 0.00 C ATOM 1684 C GLY A 114 -9.960 7.828 -16.754 1.00 0.00 C ATOM 1685 O GLY A 114 -8.851 7.266 -16.951 1.00 0.00 O ATOM 0 H GLY A 114 -9.693 6.394 -14.638 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -11.367 8.625 -15.433 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.710 9.105 -15.122 1.00 0.00 H new ATOM 1773 N GLY A 121 -1.404 11.095 -15.691 1.00 0.00 N ATOM 1774 CA GLY A 121 -0.599 12.087 -14.886 1.00 0.00 C ATOM 1775 C GLY A 121 -1.546 13.111 -14.251 1.00 0.00 C ATOM 1776 O GLY A 121 -1.351 13.536 -13.121 1.00 0.00 O ATOM 0 HA2 GLY A 121 -0.032 11.570 -14.112 1.00 0.00 H new ATOM 0 HA3 GLY A 121 0.124 12.592 -15.527 1.00 0.00 H new ATOM 1780 N LEU A 122 -2.578 13.489 -14.980 1.00 0.00 N ATOM 1781 CA LEU A 122 -3.597 14.478 -14.462 1.00 0.00 C ATOM 1782 C LEU A 122 -4.545 13.743 -13.519 1.00 0.00 C ATOM 1783 O LEU A 122 -5.155 14.343 -12.674 1.00 0.00 O ATOM 1784 CB LEU A 122 -4.417 15.087 -15.629 1.00 0.00 C ATOM 1785 CG LEU A 122 -3.576 15.177 -16.912 1.00 0.00 C ATOM 1786 CD1 LEU A 122 -3.914 13.993 -17.839 1.00 0.00 C ATOM 1787 CD2 LEU A 122 -3.869 16.502 -17.627 1.00 0.00 C ATOM 0 H LEU A 122 -2.762 13.151 -15.925 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.080 15.286 -13.944 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -5.301 14.477 -15.813 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -4.768 16.081 -15.351 1.00 0.00 H new ATOM 0 HG LEU A 122 -2.518 15.136 -16.655 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -3.316 14.060 -18.748 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -3.693 13.056 -17.328 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.972 14.024 -18.098 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.272 16.564 -18.537 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.927 16.551 -17.884 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -3.616 17.334 -16.969 1.00 0.00 H new ATOM 1799 N ILE A 123 -4.635 12.428 -13.641 1.00 0.00 N ATOM 1800 CA ILE A 123 -5.480 11.631 -12.706 1.00 0.00 C ATOM 1801 C ILE A 123 -4.623 11.456 -11.467 1.00 0.00 C ATOM 1802 O ILE A 123 -5.098 11.549 -10.359 1.00 0.00 O ATOM 1803 CB ILE A 123 -5.797 10.279 -13.342 1.00 0.00 C ATOM 1804 CG1 ILE A 123 -6.837 10.487 -14.483 1.00 0.00 C ATOM 1805 CG2 ILE A 123 -6.355 9.275 -12.279 1.00 0.00 C ATOM 1806 CD1 ILE A 123 -7.223 9.137 -15.087 1.00 0.00 C ATOM 0 H ILE A 123 -4.153 11.881 -14.355 1.00 0.00 H new ATOM 0 HA ILE A 123 -6.431 12.110 -12.473 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.879 9.855 -13.750 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -7.723 10.987 -14.092 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -6.419 11.134 -15.254 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -6.572 8.321 -12.759 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -5.613 9.126 -11.494 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.269 9.678 -11.842 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -7.950 9.290 -15.884 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -6.335 8.653 -15.494 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -7.659 8.504 -14.314 1.00 0.00 H new ATOM 1818 N ASN A 124 -3.322 11.244 -11.674 1.00 0.00 N ATOM 1819 CA ASN A 124 -2.378 11.117 -10.541 1.00 0.00 C ATOM 1820 C ASN A 124 -2.416 12.427 -9.748 1.00 0.00 C ATOM 1821 O ASN A 124 -2.191 12.449 -8.535 1.00 0.00 O ATOM 1822 CB ASN A 124 -0.959 10.878 -11.086 1.00 0.00 C ATOM 1823 CG ASN A 124 0.029 10.682 -9.928 1.00 0.00 C ATOM 1824 OD1 ASN A 124 0.002 11.408 -8.955 1.00 0.00 O ATOM 1825 ND2 ASN A 124 0.911 9.729 -9.999 1.00 0.00 N ATOM 0 H ASN A 124 -2.895 11.157 -12.596 1.00 0.00 H new ATOM 0 HA ASN A 124 -2.655 10.280 -9.900 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -0.953 9.999 -11.731 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -0.649 11.725 -11.698 1.00 0.00 H new ATOM 0 HD21 ASN A 124 1.577 9.593 -9.239 1.00 0.00 H new ATOM 0 HD22 ASN A 124 0.936 9.117 -10.815 1.00 0.00 H new ATOM 1832 N LYS A 125 -2.709 13.532 -10.439 1.00 0.00 N ATOM 1833 CA LYS A 125 -2.753 14.872 -9.745 1.00 0.00 C ATOM 1834 C LYS A 125 -4.119 15.011 -9.021 1.00 0.00 C ATOM 1835 O LYS A 125 -4.223 15.600 -7.950 1.00 0.00 O ATOM 1836 CB LYS A 125 -2.550 16.010 -10.821 1.00 0.00 C ATOM 1837 CG LYS A 125 -3.870 16.550 -11.394 1.00 0.00 C ATOM 1838 CD LYS A 125 -4.327 17.718 -10.530 1.00 0.00 C ATOM 1839 CE LYS A 125 -3.728 19.023 -11.069 1.00 0.00 C ATOM 1840 NZ LYS A 125 -4.579 20.184 -10.650 1.00 0.00 N ATOM 0 H LYS A 125 -2.915 13.555 -11.438 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.959 14.957 -9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.995 16.832 -10.369 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -1.939 15.624 -11.637 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -3.732 16.873 -12.426 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -4.628 15.767 -11.404 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -5.415 17.779 -10.529 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -4.016 17.563 -9.497 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.713 19.150 -10.693 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -3.663 18.982 -12.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -4.034 21.065 -10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -5.422 20.233 -11.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -4.872 20.060 -9.660 1.00 0.00 H new ATOM 1854 N LYS A 126 -5.158 14.485 -9.643 1.00 0.00 N ATOM 1855 CA LYS A 126 -6.553 14.581 -9.075 1.00 0.00 C ATOM 1856 C LYS A 126 -6.788 13.538 -7.972 1.00 0.00 C ATOM 1857 O LYS A 126 -7.740 13.653 -7.212 1.00 0.00 O ATOM 1858 CB LYS A 126 -7.566 14.394 -10.201 1.00 0.00 C ATOM 1859 CG LYS A 126 -7.746 15.742 -10.920 1.00 0.00 C ATOM 1860 CD LYS A 126 -8.761 15.603 -12.049 1.00 0.00 C ATOM 1861 CE LYS A 126 -8.134 14.824 -13.204 1.00 0.00 C ATOM 1862 NZ LYS A 126 -7.480 15.775 -14.151 1.00 0.00 N ATOM 0 H LYS A 126 -5.098 13.987 -10.531 1.00 0.00 H new ATOM 0 HA LYS A 126 -6.675 15.566 -8.624 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -7.219 13.634 -10.901 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -8.519 14.047 -9.801 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -8.081 16.499 -10.211 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -6.790 16.080 -11.320 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -9.652 15.088 -11.690 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -9.078 16.588 -12.391 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -7.401 14.114 -12.822 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -8.898 14.245 -13.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -7.024 15.242 -14.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -8.196 16.414 -14.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -6.763 16.332 -13.644 1.00 0.00 H new ATOM 1876 N CYS A 127 -5.908 12.554 -7.844 1.00 0.00 N ATOM 1877 CA CYS A 127 -6.045 11.534 -6.751 1.00 0.00 C ATOM 1878 C CYS A 127 -5.247 12.051 -5.580 1.00 0.00 C ATOM 1879 O CYS A 127 -5.587 11.832 -4.447 1.00 0.00 O ATOM 1880 CB CYS A 127 -5.476 10.191 -7.174 1.00 0.00 C ATOM 1881 SG CYS A 127 -6.370 8.869 -6.318 1.00 0.00 S ATOM 0 H CYS A 127 -5.102 12.420 -8.455 1.00 0.00 H new ATOM 0 HA CYS A 127 -7.097 11.388 -6.507 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -5.567 10.068 -8.253 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.414 10.141 -6.936 1.00 0.00 H new ATOM 0 HG CYS A 127 -6.687 7.938 -7.168 1.00 0.00 H new ATOM 1887 N TYR A 128 -4.175 12.766 -5.881 1.00 0.00 N ATOM 1888 CA TYR A 128 -3.321 13.369 -4.839 1.00 0.00 C ATOM 1889 C TYR A 128 -4.171 14.418 -4.107 1.00 0.00 C ATOM 1890 O TYR A 128 -4.024 14.633 -2.915 1.00 0.00 O ATOM 1891 CB TYR A 128 -2.155 14.058 -5.566 1.00 0.00 C ATOM 1892 CG TYR A 128 -0.860 14.085 -4.767 1.00 0.00 C ATOM 1893 CD1 TYR A 128 -0.786 13.662 -3.419 1.00 0.00 C ATOM 1894 CD2 TYR A 128 0.288 14.542 -5.417 1.00 0.00 C ATOM 1895 CE1 TYR A 128 0.441 13.706 -2.742 1.00 0.00 C ATOM 1896 CE2 TYR A 128 1.511 14.586 -4.739 1.00 0.00 C ATOM 1897 CZ TYR A 128 1.588 14.168 -3.400 1.00 0.00 C ATOM 1898 OH TYR A 128 2.797 14.209 -2.734 1.00 0.00 O ATOM 0 H TYR A 128 -3.865 12.950 -6.835 1.00 0.00 H new ATOM 0 HA TYR A 128 -2.942 12.636 -4.127 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -1.976 13.546 -6.512 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -2.443 15.081 -5.807 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -1.672 13.306 -2.913 1.00 0.00 H new ATOM 0 HD2 TYR A 128 0.232 14.863 -6.447 1.00 0.00 H new ATOM 0 HE1 TYR A 128 0.502 13.384 -1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 128 2.396 14.941 -5.245 1.00 0.00 H new ATOM 0 HH TYR A 128 3.490 14.554 -3.335 1.00 0.00 H new ATOM 1908 N GLU A 129 -5.082 15.074 -4.849 1.00 0.00 N ATOM 1909 CA GLU A 129 -5.982 16.124 -4.232 1.00 0.00 C ATOM 1910 C GLU A 129 -7.205 15.447 -3.584 1.00 0.00 C ATOM 1911 O GLU A 129 -7.674 15.864 -2.527 1.00 0.00 O ATOM 1912 CB GLU A 129 -6.441 17.100 -5.317 1.00 0.00 C ATOM 1913 CG GLU A 129 -5.291 18.055 -5.658 1.00 0.00 C ATOM 1914 CD GLU A 129 -5.819 19.212 -6.504 1.00 0.00 C ATOM 1915 OE1 GLU A 129 -6.781 19.836 -6.085 1.00 0.00 O ATOM 1916 OE2 GLU A 129 -5.252 19.456 -7.557 1.00 0.00 O ATOM 0 H GLU A 129 -5.229 14.919 -5.846 1.00 0.00 H new ATOM 0 HA GLU A 129 -5.432 16.669 -3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -6.751 16.553 -6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -7.308 17.664 -4.972 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -4.839 18.437 -4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -4.510 17.521 -6.200 1.00 0.00 H new ATOM 1923 N MET A 130 -7.704 14.381 -4.195 1.00 0.00 N ATOM 1924 CA MET A 130 -8.882 13.625 -3.619 1.00 0.00 C ATOM 1925 C MET A 130 -8.451 13.140 -2.194 1.00 0.00 C ATOM 1926 O MET A 130 -9.174 13.280 -1.189 1.00 0.00 O ATOM 1927 CB MET A 130 -9.163 12.414 -4.561 1.00 0.00 C ATOM 1928 CG MET A 130 -10.661 12.041 -4.582 1.00 0.00 C ATOM 1929 SD MET A 130 -10.866 10.409 -5.330 1.00 0.00 S ATOM 1930 CE MET A 130 -12.662 10.300 -5.151 1.00 0.00 C ATOM 0 H MET A 130 -7.344 14.002 -5.071 1.00 0.00 H new ATOM 0 HA MET A 130 -9.785 14.231 -3.542 1.00 0.00 H new ATOM 0 HB2 MET A 130 -8.834 12.656 -5.572 1.00 0.00 H new ATOM 0 HB3 MET A 130 -8.579 11.554 -4.233 1.00 0.00 H new ATOM 0 HG2 MET A 130 -11.061 12.041 -3.568 1.00 0.00 H new ATOM 0 HG3 MET A 130 -11.224 12.785 -5.146 1.00 0.00 H new ATOM 0 HE1 MET A 130 -12.957 9.254 -5.072 1.00 0.00 H new ATOM 0 HE2 MET A 130 -12.971 10.833 -4.252 1.00 0.00 H new ATOM 0 HE3 MET A 130 -13.142 10.748 -6.021 1.00 0.00 H new ATOM 1940 N ALA A 131 -7.243 12.625 -2.118 1.00 0.00 N ATOM 1941 CA ALA A 131 -6.662 12.152 -0.827 1.00 0.00 C ATOM 1942 C ALA A 131 -6.144 13.341 -0.041 1.00 0.00 C ATOM 1943 O ALA A 131 -5.976 13.244 1.147 1.00 0.00 O ATOM 1944 CB ALA A 131 -5.513 11.181 -1.106 1.00 0.00 C ATOM 0 H ALA A 131 -6.624 12.512 -2.921 1.00 0.00 H new ATOM 0 HA ALA A 131 -7.432 11.642 -0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.090 10.837 -0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.888 10.326 -1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.741 11.687 -1.686 1.00 0.00 H new ATOM 1950 N SER A 132 -5.903 14.489 -0.696 1.00 0.00 N ATOM 1951 CA SER A 132 -5.425 15.702 0.054 1.00 0.00 C ATOM 1952 C SER A 132 -6.492 16.047 1.075 1.00 0.00 C ATOM 1953 O SER A 132 -6.182 16.491 2.170 1.00 0.00 O ATOM 1954 CB SER A 132 -5.203 16.888 -0.895 1.00 0.00 C ATOM 1955 OG SER A 132 -3.973 16.715 -1.588 1.00 0.00 O ATOM 0 H SER A 132 -6.020 14.620 -1.701 1.00 0.00 H new ATOM 0 HA SER A 132 -4.471 15.491 0.537 1.00 0.00 H new ATOM 0 HB2 SER A 132 -6.027 16.958 -1.606 1.00 0.00 H new ATOM 0 HB3 SER A 132 -5.187 17.821 -0.331 1.00 0.00 H new ATOM 0 HG SER A 132 -3.987 15.862 -2.071 1.00 0.00 H new ATOM 1961 N HIS A 133 -7.770 15.795 0.739 1.00 0.00 N ATOM 1962 CA HIS A 133 -8.856 16.059 1.724 1.00 0.00 C ATOM 1963 C HIS A 133 -8.855 14.942 2.724 1.00 0.00 C ATOM 1964 O HIS A 133 -8.977 15.184 3.908 1.00 0.00 O ATOM 1965 CB HIS A 133 -10.228 16.135 1.081 1.00 0.00 C ATOM 1966 CG HIS A 133 -11.176 16.694 2.104 1.00 0.00 C ATOM 1967 ND1 HIS A 133 -12.337 16.206 2.651 1.00 0.00 N flip ATOM 1968 CD2 HIS A 133 -10.979 17.936 2.682 1.00 0.00 C flip ATOM 1969 CE1 HIS A 133 -12.850 17.127 3.556 1.00 0.00 C flip ATOM 1970 NE2 HIS A 133 -11.995 18.151 3.537 1.00 0.00 N flip ATOM 0 H HIS A 133 -8.076 15.426 -0.161 1.00 0.00 H new ATOM 0 HA HIS A 133 -8.662 17.026 2.188 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -10.202 16.770 0.195 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -10.554 15.147 0.755 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -10.159 18.610 2.483 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -13.748 17.034 4.148 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -12.099 18.994 4.102 1.00 0.00 H new ATOM 1978 N LEU A 134 -8.710 13.687 2.262 1.00 0.00 N ATOM 1979 CA LEU A 134 -8.690 12.538 3.238 1.00 0.00 C ATOM 1980 C LEU A 134 -7.457 12.608 4.137 1.00 0.00 C ATOM 1981 O LEU A 134 -7.401 11.953 5.172 1.00 0.00 O ATOM 1982 CB LEU A 134 -8.727 11.234 2.477 1.00 0.00 C ATOM 1983 CG LEU A 134 -10.159 11.016 1.960 1.00 0.00 C ATOM 1984 CD1 LEU A 134 -10.207 11.218 0.449 1.00 0.00 C ATOM 1985 CD2 LEU A 134 -10.636 9.592 2.319 1.00 0.00 C ATOM 0 H LEU A 134 -8.609 13.431 1.280 1.00 0.00 H new ATOM 0 HA LEU A 134 -9.568 12.601 3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -8.023 11.260 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -8.427 10.409 3.123 1.00 0.00 H new ATOM 0 HG LEU A 134 -10.821 11.742 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -11.225 11.061 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -9.890 12.233 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -9.540 10.505 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -11.651 9.444 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -9.973 8.859 1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -10.622 9.466 3.402 1.00 0.00 H new ATOM 1997 N ARG A 135 -6.512 13.437 3.787 1.00 0.00 N ATOM 1998 CA ARG A 135 -5.302 13.634 4.638 1.00 0.00 C ATOM 1999 C ARG A 135 -5.654 14.752 5.605 1.00 0.00 C ATOM 2000 O ARG A 135 -5.321 14.701 6.783 1.00 0.00 O ATOM 2001 CB ARG A 135 -4.101 14.022 3.770 1.00 0.00 C ATOM 2002 CG ARG A 135 -3.585 12.791 3.004 1.00 0.00 C ATOM 2003 CD ARG A 135 -3.058 11.730 3.984 1.00 0.00 C ATOM 2004 NE ARG A 135 -2.057 12.337 4.913 1.00 0.00 N ATOM 2005 CZ ARG A 135 -0.855 11.827 5.001 1.00 0.00 C ATOM 2006 NH1 ARG A 135 -0.690 10.529 4.980 1.00 0.00 N ATOM 2007 NH2 ARG A 135 0.182 12.612 5.118 1.00 0.00 N ATOM 0 H ARG A 135 -6.527 13.995 2.934 1.00 0.00 H new ATOM 0 HA ARG A 135 -5.027 12.723 5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -4.388 14.804 3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -3.307 14.431 4.395 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -4.387 12.369 2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -2.791 13.088 2.319 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -3.886 11.309 4.555 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -2.601 10.909 3.431 1.00 0.00 H new ATOM 0 HE ARG A 135 -2.310 13.148 5.478 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -1.499 9.913 4.895 1.00 0.00 H new ATOM 0 HH12 ARG A 135 0.247 10.133 5.049 1.00 0.00 H new ATOM 0 HH21 ARG A 135 0.056 13.624 5.141 1.00 0.00 H new ATOM 0 HH22 ARG A 135 1.118 12.213 5.187 1.00 0.00 H new ATOM 2021 N ARG A 136 -6.415 15.734 5.117 1.00 0.00 N ATOM 2022 CA ARG A 136 -6.902 16.830 5.992 1.00 0.00 C ATOM 2023 C ARG A 136 -8.147 16.320 6.762 1.00 0.00 C ATOM 2024 O ARG A 136 -8.693 17.012 7.609 1.00 0.00 O ATOM 2025 CB ARG A 136 -7.282 18.041 5.133 1.00 0.00 C ATOM 2026 CG ARG A 136 -6.029 18.587 4.422 1.00 0.00 C ATOM 2027 CD ARG A 136 -5.937 20.103 4.618 1.00 0.00 C ATOM 2028 NE ARG A 136 -5.646 20.406 6.047 1.00 0.00 N ATOM 2029 CZ ARG A 136 -5.120 21.554 6.379 1.00 0.00 C ATOM 2030 NH1 ARG A 136 -4.055 21.985 5.758 1.00 0.00 N ATOM 2031 NH2 ARG A 136 -5.655 22.270 7.333 1.00 0.00 N ATOM 0 H ARG A 136 -6.709 15.803 4.143 1.00 0.00 H new ATOM 0 HA ARG A 136 -6.124 17.128 6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -8.034 17.756 4.397 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -7.725 18.817 5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -5.136 18.105 4.820 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -6.072 18.351 3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -5.154 20.515 3.982 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -6.872 20.576 4.319 1.00 0.00 H new ATOM 0 HE ARG A 136 -5.858 19.716 6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -3.636 21.425 5.015 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -3.642 22.882 6.016 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -6.485 21.932 7.820 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -5.242 23.166 7.591 1.00 0.00 H new ATOM 2045 N SER A 137 -8.579 15.087 6.466 1.00 0.00 N ATOM 2046 CA SER A 137 -9.751 14.478 7.145 1.00 0.00 C ATOM 2047 C SER A 137 -9.283 13.832 8.476 1.00 0.00 C ATOM 2048 O SER A 137 -10.089 13.554 9.355 1.00 0.00 O ATOM 2049 CB SER A 137 -10.362 13.407 6.193 1.00 0.00 C ATOM 2050 OG SER A 137 -9.609 12.195 6.260 1.00 0.00 O ATOM 0 H SER A 137 -8.143 14.487 5.766 1.00 0.00 H new ATOM 0 HA SER A 137 -10.507 15.229 7.373 1.00 0.00 H new ATOM 0 HB2 SER A 137 -11.399 13.214 6.469 1.00 0.00 H new ATOM 0 HB3 SER A 137 -10.369 13.782 5.170 1.00 0.00 H new ATOM 0 HG SER A 137 -8.652 12.403 6.236 1.00 0.00 H new ATOM 2056 N GLN A 138 -7.972 13.580 8.611 1.00 0.00 N ATOM 2057 CA GLN A 138 -7.423 12.945 9.860 1.00 0.00 C ATOM 2058 C GLN A 138 -7.899 11.486 9.950 1.00 0.00 C ATOM 2059 O GLN A 138 -7.891 10.890 11.022 1.00 0.00 O ATOM 2060 CB GLN A 138 -7.890 13.732 11.106 1.00 0.00 C ATOM 2061 CG GLN A 138 -6.672 14.329 11.824 1.00 0.00 C ATOM 2062 CD GLN A 138 -7.078 14.803 13.219 1.00 0.00 C ATOM 2063 OE1 GLN A 138 -7.584 15.895 13.380 1.00 0.00 O ATOM 2064 NE2 GLN A 138 -6.872 14.023 14.246 1.00 0.00 N ATOM 0 H GLN A 138 -7.272 13.793 7.900 1.00 0.00 H new ATOM 0 HA GLN A 138 -6.334 12.965 9.821 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -8.576 14.526 10.811 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -8.436 13.073 11.781 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -5.880 13.584 11.899 1.00 0.00 H new ATOM 0 HG3 GLN A 138 -6.271 15.163 11.248 1.00 0.00 H new ATOM 0 HE21 GLN A 138 -6.447 13.105 14.112 1.00 0.00 H new ATOM 0 HE22 GLN A 138 -7.136 14.331 15.182 1.00 0.00 H new ATOM 2073 N TYR A 139 -8.296 10.901 8.819 1.00 0.00 N ATOM 2074 CA TYR A 139 -8.758 9.477 8.815 1.00 0.00 C ATOM 2075 C TYR A 139 -7.557 8.571 8.554 1.00 0.00 C ATOM 2076 O TYR A 139 -6.847 8.823 7.594 1.00 0.00 O ATOM 2077 CB TYR A 139 -9.812 9.261 7.701 1.00 0.00 C ATOM 2078 CG TYR A 139 -11.147 9.951 8.043 1.00 0.00 C ATOM 2079 CD1 TYR A 139 -11.580 10.092 9.381 1.00 0.00 C ATOM 2080 CD2 TYR A 139 -11.955 10.436 7.003 1.00 0.00 C ATOM 2081 CE1 TYR A 139 -12.801 10.713 9.661 1.00 0.00 C ATOM 2082 CE2 TYR A 139 -13.177 11.060 7.293 1.00 0.00 C ATOM 2083 CZ TYR A 139 -13.599 11.196 8.619 1.00 0.00 C ATOM 2084 OH TYR A 139 -14.802 11.811 8.902 1.00 0.00 O ATOM 2085 OXT TYR A 139 -7.364 7.641 9.318 1.00 0.00 O ATOM 0 H TYR A 139 -8.314 11.360 7.908 1.00 0.00 H new ATOM 0 HA TYR A 139 -9.208 9.240 9.779 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -9.431 9.652 6.758 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -9.979 8.193 7.559 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -10.967 9.720 10.188 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -11.635 10.328 5.977 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -13.129 10.820 10.685 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -13.794 11.436 6.490 1.00 0.00 H new ATOM 0 HH TYR A 139 -15.232 12.089 8.066 1.00 0.00 H new