USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=37 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= -7.07! C(o=-14!,f=-11!) USER MOD Set 1.2: A 130 MET CE :methyl -151:sc= -3.83! (180deg=-7.36!) USER MOD Set 2.1: A 103 THR OG1 : rot -74:sc= 0.103 USER MOD Set 2.2: A 127 CYS SG : rot 131:sc= -3.9! USER MOD Set 3.1: A 105 THR OG1 : rot 129:sc= 0.844 USER MOD Set 3.2: A 108 THR OG1 : rot -43:sc= 0.921 USER MOD Set 4.1: A 17 GLN : amide:sc= -0.655 K(o=-0.98,f=-10!) USER MOD Set 4.2: A 37 LYS NZ :NH3+ 134:sc= -0.329 (180deg=0) USER MOD Set 5.1: A 6 TYR OH : rot -15:sc= -3.09 USER MOD Set 5.2: A 133 HIS : no HD1:sc= -6.55! C(o=-9.6!,f=-11!) USER MOD Single : A 4 ASN : amide:sc= -0.272 X(o=-0.27,f=0.0025) USER MOD Single : A 11 MET CE :methyl -169:sc= -0.0414 (180deg=-0.0947) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 77:sc= -4.81! USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -128:sc= -0.0199! (180deg=-2.39) USER MOD Single : A 27 SER OG : rot 38:sc= 0.167 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 66:sc= 1.16 USER MOD Single : A 41 ASN : amide:sc= -0.0381 X(o=-0.038,f=-0.18) USER MOD Single : A 43 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -4.4! C(o=-4.4!,f=-6.5!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.357 USER MOD Single : A 68 GLN :FLIP amide:sc= -2.89 F(o=-5.4!,f=-2.9) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot -59:sc= -1.54 USER MOD Single : A 71 SER OG : rot -12:sc= -4.83! USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0134 USER MOD Single : A 85 MET CE :methyl -128:sc= -4.96! (180deg=-9.02!) USER MOD Single : A 89 THR OG1 : rot -11:sc= 0.951 USER MOD Single : A 90 LYS NZ :NH3+ -148:sc= -1.92 (180deg=-3.24!) USER MOD Single : A 99 ASN :FLIP amide:sc= -1.44 F(o=-4.3!,f=-1.4) USER MOD Single : A 101 THR OG1 : rot -58:sc= -0.114 USER MOD Single : A 104 LYS NZ :NH3+ 155:sc= -0.1 (180deg=-0.762) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl 139:sc= -0.858 (180deg=-3.86!) USER MOD Single : A 124 ASN : amide:sc= -1.45 K(o=-1.5,f=-2.4!) USER MOD Single : A 125 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00394) USER MOD Single : A 126 LYS NZ :NH3+ 148:sc= -0.647 (180deg=-2.13!) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot -44:sc= 1.06 USER MOD Single : A 137 SER OG : rot -38:sc= -1.21 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 -17.595 13.892 1.209 1.00 0.00 N ATOM 21 CA TRP A 3 -17.131 12.824 0.263 1.00 0.00 C ATOM 22 C TRP A 3 -17.698 13.044 -1.173 1.00 0.00 C ATOM 23 O TRP A 3 -16.987 12.888 -2.162 1.00 0.00 O ATOM 24 CB TRP A 3 -17.599 11.520 0.760 1.00 0.00 C ATOM 25 CG TRP A 3 -16.673 10.953 1.808 1.00 0.00 C ATOM 26 CD1 TRP A 3 -16.981 9.860 2.494 1.00 0.00 C ATOM 27 CD2 TRP A 3 -15.327 11.386 2.310 1.00 0.00 C ATOM 28 NE1 TRP A 3 -15.978 9.562 3.388 1.00 0.00 N ATOM 29 CE2 TRP A 3 -14.938 10.463 3.318 1.00 0.00 C ATOM 30 CE3 TRP A 3 -14.407 12.458 2.018 1.00 0.00 C ATOM 31 CZ2 TRP A 3 -13.732 10.578 4.000 1.00 0.00 C ATOM 32 CZ3 TRP A 3 -13.196 12.554 2.717 1.00 0.00 C ATOM 33 CH2 TRP A 3 -12.864 11.619 3.702 1.00 0.00 C ATOM 0 HA TRP A 3 -16.043 12.860 0.211 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -18.599 11.629 1.180 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -17.677 10.821 -0.072 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -17.888 9.287 2.369 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -16.002 8.768 4.027 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -14.652 13.187 1.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -13.471 9.858 4.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -12.512 13.359 2.492 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -11.928 11.707 4.233 1.00 0.00 H new ATOM 44 N ASN A 4 -18.987 13.374 -1.281 1.00 0.00 N ATOM 45 CA ASN A 4 -19.637 13.570 -2.639 1.00 0.00 C ATOM 46 C ASN A 4 -18.927 14.662 -3.441 1.00 0.00 C ATOM 47 O ASN A 4 -18.909 14.619 -4.650 1.00 0.00 O ATOM 48 CB ASN A 4 -21.110 13.937 -2.450 1.00 0.00 C ATOM 49 CG ASN A 4 -21.830 12.813 -1.694 1.00 0.00 C ATOM 50 OD1 ASN A 4 -22.350 11.894 -2.297 1.00 0.00 O ATOM 51 ND2 ASN A 4 -21.886 12.853 -0.390 1.00 0.00 N ATOM 0 H ASN A 4 -19.611 13.515 -0.487 1.00 0.00 H new ATOM 0 HA ASN A 4 -19.557 12.637 -3.197 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -21.194 14.872 -1.896 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -21.582 14.097 -3.419 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -22.366 12.113 0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -21.450 13.624 0.116 1.00 0.00 H new ATOM 58 N ALA A 5 -18.345 15.619 -2.768 1.00 0.00 N ATOM 59 CA ALA A 5 -17.585 16.738 -3.476 1.00 0.00 C ATOM 60 C ALA A 5 -16.271 16.152 -3.990 1.00 0.00 C ATOM 61 O ALA A 5 -15.814 16.478 -5.088 1.00 0.00 O ATOM 62 CB ALA A 5 -17.304 17.881 -2.497 1.00 0.00 C ATOM 0 H ALA A 5 -18.353 15.690 -1.750 1.00 0.00 H new ATOM 0 HA ALA A 5 -18.173 17.137 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -16.762 18.675 -3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -18.247 18.274 -2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -16.703 17.510 -1.667 1.00 0.00 H new ATOM 68 N TYR A 6 -15.677 15.227 -3.236 1.00 0.00 N ATOM 69 CA TYR A 6 -14.421 14.565 -3.744 1.00 0.00 C ATOM 70 C TYR A 6 -14.836 13.612 -4.878 1.00 0.00 C ATOM 71 O TYR A 6 -14.024 13.159 -5.636 1.00 0.00 O ATOM 72 CB TYR A 6 -13.668 13.880 -2.608 1.00 0.00 C ATOM 73 CG TYR A 6 -13.542 14.905 -1.524 1.00 0.00 C ATOM 74 CD1 TYR A 6 -12.563 15.898 -1.576 1.00 0.00 C ATOM 75 CD2 TYR A 6 -14.465 14.901 -0.525 1.00 0.00 C ATOM 76 CE1 TYR A 6 -12.539 16.895 -0.593 1.00 0.00 C ATOM 77 CE2 TYR A 6 -14.447 15.867 0.466 1.00 0.00 C ATOM 78 CZ TYR A 6 -13.487 16.872 0.438 1.00 0.00 C ATOM 79 OH TYR A 6 -13.499 17.861 1.401 1.00 0.00 O ATOM 0 H TYR A 6 -16.001 14.915 -2.321 1.00 0.00 H new ATOM 0 HA TYR A 6 -13.716 15.294 -4.143 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -14.208 13.002 -2.255 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.687 13.539 -2.939 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.829 15.898 -2.368 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -15.223 14.132 -0.505 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -11.794 17.677 -0.630 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -15.178 15.840 1.260 1.00 0.00 H new ATOM 0 HH TYR A 6 -12.656 18.360 1.368 1.00 0.00 H new ATOM 89 N ILE A 7 -16.152 13.394 -5.030 1.00 0.00 N ATOM 90 CA ILE A 7 -16.689 12.604 -6.172 1.00 0.00 C ATOM 91 C ILE A 7 -16.987 13.667 -7.320 1.00 0.00 C ATOM 92 O ILE A 7 -16.870 13.407 -8.549 1.00 0.00 O ATOM 93 CB ILE A 7 -17.939 11.858 -5.723 1.00 0.00 C ATOM 94 CG1 ILE A 7 -17.468 10.640 -4.900 1.00 0.00 C ATOM 95 CG2 ILE A 7 -18.772 11.415 -6.935 1.00 0.00 C ATOM 96 CD1 ILE A 7 -16.939 9.530 -5.806 1.00 0.00 C ATOM 0 H ILE A 7 -16.864 13.745 -4.390 1.00 0.00 H new ATOM 0 HA ILE A 7 -15.996 11.846 -6.537 1.00 0.00 H new ATOM 0 HB ILE A 7 -18.578 12.502 -5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -16.687 10.948 -4.205 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -18.296 10.260 -4.302 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -19.660 10.884 -6.592 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -19.072 12.291 -7.510 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -18.176 10.755 -7.565 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -16.615 8.686 -5.197 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -17.729 9.206 -6.484 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -16.095 9.904 -6.385 1.00 0.00 H new ATOM 108 N ASP A 8 -17.301 14.902 -6.901 1.00 0.00 N ATOM 109 CA ASP A 8 -17.520 16.003 -7.864 1.00 0.00 C ATOM 110 C ASP A 8 -16.217 16.185 -8.677 1.00 0.00 C ATOM 111 O ASP A 8 -16.224 16.666 -9.772 1.00 0.00 O ATOM 112 CB ASP A 8 -17.919 17.257 -7.091 1.00 0.00 C ATOM 113 CG ASP A 8 -19.442 17.307 -6.961 1.00 0.00 C ATOM 114 OD1 ASP A 8 -20.103 17.370 -7.985 1.00 0.00 O ATOM 115 OD2 ASP A 8 -19.922 17.279 -5.839 1.00 0.00 O ATOM 0 H ASP A 8 -17.409 15.165 -5.922 1.00 0.00 H new ATOM 0 HA ASP A 8 -18.327 15.787 -8.564 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -17.458 17.251 -6.103 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -17.557 18.147 -7.607 1.00 0.00 H new ATOM 120 N ASN A 9 -15.115 15.728 -8.105 1.00 0.00 N ATOM 121 CA ASN A 9 -13.772 15.738 -8.744 1.00 0.00 C ATOM 122 C ASN A 9 -13.828 15.032 -10.095 1.00 0.00 C ATOM 123 O ASN A 9 -13.292 15.461 -11.067 1.00 0.00 O ATOM 124 CB ASN A 9 -12.861 14.923 -7.728 1.00 0.00 C ATOM 125 CG ASN A 9 -11.992 13.718 -8.367 1.00 0.00 C ATOM 126 OD1 ASN A 9 -12.061 12.446 -7.813 1.00 0.00 O flip ATOM 127 ND2 ASN A 9 -11.279 13.918 -9.329 1.00 0.00 N flip ATOM 0 H ASN A 9 -15.109 15.329 -7.166 1.00 0.00 H new ATOM 0 HA ASN A 9 -13.397 16.744 -8.932 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.178 15.620 -7.243 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.501 14.510 -6.948 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.225 14.850 -9.739 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.734 13.154 -9.727 1.00 0.00 H new ATOM 134 N LEU A 10 -14.471 13.967 -10.093 1.00 0.00 N ATOM 135 CA LEU A 10 -14.615 13.097 -11.316 1.00 0.00 C ATOM 136 C LEU A 10 -15.539 13.679 -12.279 1.00 0.00 C ATOM 137 O LEU A 10 -15.563 13.313 -13.455 1.00 0.00 O ATOM 138 CB LEU A 10 -15.184 11.777 -10.940 1.00 0.00 C ATOM 139 CG LEU A 10 -14.326 11.075 -9.924 1.00 0.00 C ATOM 140 CD1 LEU A 10 -12.805 11.214 -10.222 1.00 0.00 C ATOM 141 CD2 LEU A 10 -14.673 11.593 -8.468 1.00 0.00 C ATOM 0 H LEU A 10 -14.948 13.602 -9.269 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.620 13.002 -11.751 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.188 11.914 -10.538 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -15.279 11.154 -11.829 1.00 0.00 H new ATOM 0 HG LEU A 10 -14.552 10.011 -9.987 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.235 10.688 -9.456 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.585 10.783 -11.199 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.529 12.268 -10.220 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.046 11.078 -7.740 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -14.490 12.666 -8.410 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.722 11.392 -8.251 1.00 0.00 H new ATOM 153 N MET A 11 -16.355 14.508 -11.808 1.00 0.00 N ATOM 154 CA MET A 11 -17.347 15.099 -12.639 1.00 0.00 C ATOM 155 C MET A 11 -16.770 16.470 -13.181 1.00 0.00 C ATOM 156 O MET A 11 -17.191 16.971 -14.206 1.00 0.00 O ATOM 157 CB MET A 11 -18.601 15.199 -11.748 1.00 0.00 C ATOM 158 CG MET A 11 -18.866 13.757 -11.033 1.00 0.00 C ATOM 159 SD MET A 11 -20.001 12.793 -12.067 1.00 0.00 S ATOM 160 CE MET A 11 -18.948 11.334 -12.269 1.00 0.00 C ATOM 0 H MET A 11 -16.373 14.812 -10.835 1.00 0.00 H new ATOM 0 HA MET A 11 -17.618 14.537 -13.533 1.00 0.00 H new ATOM 0 HB2 MET A 11 -18.465 15.973 -10.993 1.00 0.00 H new ATOM 0 HB3 MET A 11 -19.465 15.486 -12.347 1.00 0.00 H new ATOM 0 HG2 MET A 11 -17.926 13.221 -10.904 1.00 0.00 H new ATOM 0 HG3 MET A 11 -19.290 13.901 -10.039 1.00 0.00 H new ATOM 0 HE1 MET A 11 -19.370 10.684 -13.036 1.00 0.00 H new ATOM 0 HE2 MET A 11 -17.947 11.646 -12.568 1.00 0.00 H new ATOM 0 HE3 MET A 11 -18.892 10.792 -11.325 1.00 0.00 H new ATOM 170 N ALA A 12 -15.771 17.037 -12.475 1.00 0.00 N ATOM 171 CA ALA A 12 -15.088 18.329 -12.892 1.00 0.00 C ATOM 172 C ALA A 12 -13.941 18.151 -13.954 1.00 0.00 C ATOM 173 O ALA A 12 -13.878 18.844 -14.955 1.00 0.00 O ATOM 174 CB ALA A 12 -14.489 18.987 -11.641 1.00 0.00 C ATOM 0 H ALA A 12 -15.403 16.639 -11.611 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.855 18.941 -13.366 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -13.994 19.917 -11.921 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.284 19.200 -10.926 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.764 18.312 -11.187 1.00 0.00 H new ATOM 180 N ASP A 13 -12.997 17.287 -13.638 1.00 0.00 N ATOM 181 CA ASP A 13 -11.717 17.071 -14.506 1.00 0.00 C ATOM 182 C ASP A 13 -11.799 16.456 -15.934 1.00 0.00 C ATOM 183 O ASP A 13 -10.771 16.398 -16.596 1.00 0.00 O ATOM 184 CB ASP A 13 -10.533 16.481 -13.664 1.00 0.00 C ATOM 185 CG ASP A 13 -10.937 15.741 -12.419 1.00 0.00 C ATOM 186 OD1 ASP A 13 -11.333 16.421 -11.493 1.00 0.00 O ATOM 187 OD2 ASP A 13 -10.719 14.568 -12.341 1.00 0.00 O ATOM 0 H ASP A 13 -13.034 16.698 -12.806 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.525 18.105 -14.793 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.959 15.806 -14.298 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.867 17.297 -13.382 1.00 0.00 H new ATOM 192 N GLY A 14 -12.944 16.090 -16.451 1.00 0.00 N ATOM 193 CA GLY A 14 -13.041 15.542 -17.932 1.00 0.00 C ATOM 194 C GLY A 14 -11.878 14.520 -18.343 1.00 0.00 C ATOM 195 O GLY A 14 -11.736 14.164 -19.500 1.00 0.00 O ATOM 0 H GLY A 14 -13.834 16.129 -15.954 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.004 15.047 -18.060 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.024 16.387 -18.620 1.00 0.00 H new ATOM 199 N THR A 15 -11.154 14.026 -17.392 1.00 0.00 N ATOM 200 CA THR A 15 -10.062 12.965 -17.587 1.00 0.00 C ATOM 201 C THR A 15 -10.550 11.809 -16.716 1.00 0.00 C ATOM 202 O THR A 15 -10.562 10.644 -17.091 1.00 0.00 O ATOM 203 CB THR A 15 -8.721 13.493 -17.079 1.00 0.00 C ATOM 204 OG1 THR A 15 -8.270 14.543 -17.925 1.00 0.00 O ATOM 205 CG2 THR A 15 -7.719 12.362 -17.084 1.00 0.00 C ATOM 0 H THR A 15 -11.260 14.314 -16.419 1.00 0.00 H new ATOM 0 HA THR A 15 -9.907 12.682 -18.628 1.00 0.00 H new ATOM 0 HB THR A 15 -8.833 13.880 -16.066 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.411 14.881 -17.597 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.757 12.726 -16.723 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.071 11.561 -16.433 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.605 11.981 -18.099 1.00 0.00 H new ATOM 213 N CYS A 16 -11.018 12.206 -15.576 1.00 0.00 N ATOM 214 CA CYS A 16 -11.611 11.346 -14.592 1.00 0.00 C ATOM 215 C CYS A 16 -12.921 10.828 -15.189 1.00 0.00 C ATOM 216 O CYS A 16 -13.566 11.489 -15.998 1.00 0.00 O ATOM 217 CB CYS A 16 -11.890 12.247 -13.372 1.00 0.00 C ATOM 218 SG CYS A 16 -12.845 13.718 -13.946 1.00 0.00 S ATOM 0 H CYS A 16 -10.998 13.184 -15.289 1.00 0.00 H new ATOM 0 HA CYS A 16 -10.986 10.500 -14.307 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.453 11.700 -12.616 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.954 12.559 -12.908 1.00 0.00 H new ATOM 0 HG CYS A 16 -14.086 13.381 -14.139 1.00 0.00 H new ATOM 224 N GLN A 17 -13.236 9.618 -14.861 1.00 0.00 N ATOM 225 CA GLN A 17 -14.395 8.922 -15.428 1.00 0.00 C ATOM 226 C GLN A 17 -15.166 8.328 -14.245 1.00 0.00 C ATOM 227 O GLN A 17 -16.384 8.404 -14.165 1.00 0.00 O ATOM 228 CB GLN A 17 -13.789 7.832 -16.295 1.00 0.00 C ATOM 229 CG GLN A 17 -14.626 7.519 -17.509 1.00 0.00 C ATOM 230 CD GLN A 17 -15.686 6.482 -17.166 1.00 0.00 C ATOM 231 OE1 GLN A 17 -16.863 6.710 -17.368 1.00 0.00 O ATOM 232 NE2 GLN A 17 -15.320 5.344 -16.649 1.00 0.00 N ATOM 0 H GLN A 17 -12.707 9.062 -14.189 1.00 0.00 H new ATOM 0 HA GLN A 17 -15.074 9.546 -16.010 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -12.794 8.140 -16.615 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -13.667 6.927 -15.700 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -15.102 8.428 -17.875 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -13.990 7.147 -18.312 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -14.332 5.155 -16.480 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -16.021 4.642 -16.413 1.00 0.00 H new ATOM 241 N ASP A 18 -14.412 7.779 -13.288 1.00 0.00 N ATOM 242 CA ASP A 18 -15.000 7.213 -12.051 1.00 0.00 C ATOM 243 C ASP A 18 -14.110 7.603 -10.869 1.00 0.00 C ATOM 244 O ASP A 18 -13.172 8.383 -11.018 1.00 0.00 O ATOM 245 CB ASP A 18 -15.150 5.697 -12.164 1.00 0.00 C ATOM 246 CG ASP A 18 -16.340 5.230 -11.328 1.00 0.00 C ATOM 247 OD1 ASP A 18 -17.444 5.610 -11.645 1.00 0.00 O ATOM 248 OD2 ASP A 18 -16.116 4.505 -10.376 1.00 0.00 O ATOM 0 H ASP A 18 -13.396 7.710 -13.337 1.00 0.00 H new ATOM 0 HA ASP A 18 -16.000 7.617 -11.896 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -15.293 5.413 -13.207 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.239 5.206 -11.822 1.00 0.00 H new ATOM 253 N ALA A 19 -14.433 7.124 -9.694 1.00 0.00 N ATOM 254 CA ALA A 19 -13.675 7.488 -8.471 1.00 0.00 C ATOM 255 C ALA A 19 -14.132 6.623 -7.348 1.00 0.00 C ATOM 256 O ALA A 19 -15.326 6.351 -7.258 1.00 0.00 O ATOM 257 CB ALA A 19 -14.043 8.845 -8.135 1.00 0.00 C ATOM 0 H ALA A 19 -15.209 6.482 -9.534 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.603 7.375 -8.633 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.507 9.156 -7.238 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.783 9.507 -8.961 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -15.116 8.896 -7.953 1.00 0.00 H new ATOM 263 N ALA A 20 -13.260 6.212 -6.456 1.00 0.00 N ATOM 264 CA ALA A 20 -13.782 5.394 -5.297 1.00 0.00 C ATOM 265 C ALA A 20 -13.085 5.646 -4.000 1.00 0.00 C ATOM 266 O ALA A 20 -12.013 5.124 -3.732 1.00 0.00 O ATOM 267 CB ALA A 20 -13.733 3.940 -5.582 1.00 0.00 C ATOM 0 H ALA A 20 -12.256 6.392 -6.469 1.00 0.00 H new ATOM 0 HA ALA A 20 -14.815 5.725 -5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.117 3.388 -4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -14.344 3.720 -6.458 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.702 3.641 -5.774 1.00 0.00 H new ATOM 273 N ILE A 21 -13.759 6.346 -3.137 1.00 0.00 N ATOM 274 CA ILE A 21 -13.238 6.542 -1.775 1.00 0.00 C ATOM 275 C ILE A 21 -13.764 5.322 -1.051 1.00 0.00 C ATOM 276 O ILE A 21 -14.957 5.091 -1.068 1.00 0.00 O ATOM 277 CB ILE A 21 -13.779 7.824 -1.167 1.00 0.00 C ATOM 278 CG1 ILE A 21 -13.435 8.993 -2.130 1.00 0.00 C ATOM 279 CG2 ILE A 21 -13.128 8.029 0.224 1.00 0.00 C ATOM 280 CD1 ILE A 21 -13.601 10.344 -1.433 1.00 0.00 C ATOM 0 H ILE A 21 -14.657 6.792 -3.325 1.00 0.00 H new ATOM 0 HA ILE A 21 -12.153 6.640 -1.727 1.00 0.00 H new ATOM 0 HB ILE A 21 -14.860 7.780 -1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -12.410 8.887 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.082 8.950 -3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -13.508 8.947 0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -13.371 7.184 0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -12.046 8.101 0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -13.354 11.145 -2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -14.633 10.457 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.935 10.393 -0.572 1.00 0.00 H new ATOM 292 N VAL A 22 -12.908 4.479 -0.505 1.00 0.00 N ATOM 293 CA VAL A 22 -13.416 3.212 0.107 1.00 0.00 C ATOM 294 C VAL A 22 -12.929 3.020 1.547 1.00 0.00 C ATOM 295 O VAL A 22 -11.757 2.803 1.765 1.00 0.00 O ATOM 296 CB VAL A 22 -12.891 2.019 -0.724 1.00 0.00 C ATOM 297 CG1 VAL A 22 -13.594 0.731 -0.278 1.00 0.00 C ATOM 298 CG2 VAL A 22 -13.138 2.262 -2.236 1.00 0.00 C ATOM 0 H VAL A 22 -11.898 4.615 -0.460 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.505 3.267 0.114 1.00 0.00 H new ATOM 0 HB VAL A 22 -11.818 1.920 -0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.222 -0.109 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -13.392 0.553 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.669 0.832 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.763 1.413 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.207 2.376 -2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -12.618 3.168 -2.549 1.00 0.00 H new ATOM 308 N GLY A 23 -13.840 3.038 2.527 1.00 0.00 N ATOM 309 CA GLY A 23 -13.436 2.773 3.972 1.00 0.00 C ATOM 310 C GLY A 23 -12.980 1.298 4.039 1.00 0.00 C ATOM 311 O GLY A 23 -13.759 0.398 4.295 1.00 0.00 O ATOM 0 H GLY A 23 -14.833 3.223 2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.632 3.442 4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.273 2.951 4.647 1.00 0.00 H new ATOM 315 N TYR A 24 -11.730 1.080 3.741 1.00 0.00 N ATOM 316 CA TYR A 24 -11.125 -0.287 3.672 1.00 0.00 C ATOM 317 C TYR A 24 -10.661 -0.803 5.076 1.00 0.00 C ATOM 318 O TYR A 24 -9.676 -1.530 5.170 1.00 0.00 O ATOM 319 CB TYR A 24 -9.925 -0.170 2.677 1.00 0.00 C ATOM 320 CG TYR A 24 -8.661 0.278 3.392 1.00 0.00 C ATOM 321 CD1 TYR A 24 -8.675 1.313 4.333 1.00 0.00 C ATOM 322 CD2 TYR A 24 -7.499 -0.381 3.124 1.00 0.00 C ATOM 323 CE1 TYR A 24 -7.491 1.667 4.983 1.00 0.00 C ATOM 324 CE2 TYR A 24 -6.318 -0.035 3.759 1.00 0.00 C ATOM 325 CZ TYR A 24 -6.311 0.994 4.693 1.00 0.00 C ATOM 326 OH TYR A 24 -5.141 1.344 5.334 1.00 0.00 O ATOM 0 H TYR A 24 -11.070 1.829 3.532 1.00 0.00 H new ATOM 0 HA TYR A 24 -11.858 -1.019 3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.752 -1.133 2.196 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.171 0.541 1.888 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -9.594 1.834 4.555 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -7.499 -1.186 2.405 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.493 2.464 5.711 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.405 -0.564 3.529 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.410 0.774 5.016 1.00 0.00 H new ATOM 336 N LYS A 25 -11.363 -0.447 6.147 1.00 0.00 N ATOM 337 CA LYS A 25 -10.970 -0.928 7.510 1.00 0.00 C ATOM 338 C LYS A 25 -11.186 -2.438 7.556 1.00 0.00 C ATOM 339 O LYS A 25 -11.142 -3.094 6.524 1.00 0.00 O ATOM 340 CB LYS A 25 -11.813 -0.205 8.552 1.00 0.00 C ATOM 341 CG LYS A 25 -11.274 1.204 8.731 1.00 0.00 C ATOM 342 CD LYS A 25 -11.686 2.046 7.548 1.00 0.00 C ATOM 343 CE LYS A 25 -11.705 3.504 7.964 1.00 0.00 C ATOM 344 NZ LYS A 25 -12.816 3.723 8.930 1.00 0.00 N ATOM 0 H LYS A 25 -12.187 0.154 6.124 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.922 -0.716 7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.856 -0.172 8.236 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.784 -0.743 9.500 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.658 1.639 9.654 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.188 1.183 8.817 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.991 1.899 6.721 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.671 1.742 7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.753 3.777 8.419 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.836 4.142 7.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.404 4.519 8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.399 2.864 8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.423 3.940 9.868 1.00 0.00 H new ATOM 358 N ASP A 26 -11.420 -3.001 8.734 1.00 0.00 N ATOM 359 CA ASP A 26 -11.661 -4.515 8.872 1.00 0.00 C ATOM 360 C ASP A 26 -12.571 -4.984 7.733 1.00 0.00 C ATOM 361 O ASP A 26 -12.182 -5.795 6.900 1.00 0.00 O ATOM 362 CB ASP A 26 -12.335 -4.848 10.218 1.00 0.00 C ATOM 363 CG ASP A 26 -13.244 -3.702 10.704 1.00 0.00 C ATOM 364 OD1 ASP A 26 -12.722 -2.764 11.282 1.00 0.00 O ATOM 365 OD2 ASP A 26 -14.443 -3.796 10.504 1.00 0.00 O ATOM 0 H ASP A 26 -11.457 -2.486 9.614 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.698 -5.023 8.828 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.924 -5.759 10.114 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.570 -5.047 10.968 1.00 0.00 H new ATOM 370 N SER A 27 -13.750 -4.419 7.676 1.00 0.00 N ATOM 371 CA SER A 27 -14.705 -4.715 6.605 1.00 0.00 C ATOM 372 C SER A 27 -14.677 -3.495 5.675 1.00 0.00 C ATOM 373 O SER A 27 -14.793 -2.379 6.160 1.00 0.00 O ATOM 374 CB SER A 27 -16.084 -4.898 7.207 1.00 0.00 C ATOM 375 OG SER A 27 -16.306 -3.912 8.215 1.00 0.00 O ATOM 0 H SER A 27 -14.087 -3.742 8.361 1.00 0.00 H new ATOM 0 HA SER A 27 -14.456 -5.627 6.062 1.00 0.00 H new ATOM 0 HB2 SER A 27 -16.844 -4.815 6.430 1.00 0.00 H new ATOM 0 HB3 SER A 27 -16.174 -5.896 7.635 1.00 0.00 H new ATOM 0 HG SER A 27 -15.906 -3.062 7.935 1.00 0.00 H new ATOM 381 N PRO A 28 -14.466 -3.710 4.366 1.00 0.00 N ATOM 382 CA PRO A 28 -14.357 -2.615 3.423 1.00 0.00 C ATOM 383 C PRO A 28 -15.725 -2.131 2.996 1.00 0.00 C ATOM 384 O PRO A 28 -16.693 -2.883 2.988 1.00 0.00 O ATOM 385 CB PRO A 28 -13.572 -3.209 2.263 1.00 0.00 C ATOM 386 CG PRO A 28 -13.745 -4.742 2.365 1.00 0.00 C ATOM 387 CD PRO A 28 -14.334 -5.038 3.735 1.00 0.00 C ATOM 0 HA PRO A 28 -13.864 -1.737 3.842 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -13.946 -2.838 1.309 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.520 -2.931 2.322 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.402 -5.108 1.576 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.787 -5.246 2.241 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -15.299 -5.538 3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.683 -5.692 4.316 1.00 0.00 H new ATOM 395 N SER A 29 -15.805 -0.867 2.640 1.00 0.00 N ATOM 396 CA SER A 29 -17.069 -0.272 2.209 1.00 0.00 C ATOM 397 C SER A 29 -16.760 0.892 1.304 1.00 0.00 C ATOM 398 O SER A 29 -15.674 1.454 1.347 1.00 0.00 O ATOM 399 CB SER A 29 -17.860 0.202 3.422 1.00 0.00 C ATOM 400 OG SER A 29 -16.997 0.922 4.298 1.00 0.00 O ATOM 0 H SER A 29 -15.013 -0.224 2.638 1.00 0.00 H new ATOM 0 HA SER A 29 -17.669 -1.009 1.675 1.00 0.00 H new ATOM 0 HB2 SER A 29 -18.687 0.837 3.105 1.00 0.00 H new ATOM 0 HB3 SER A 29 -18.295 -0.651 3.942 1.00 0.00 H new ATOM 0 HG SER A 29 -17.505 1.229 5.078 1.00 0.00 H new ATOM 406 N VAL A 30 -17.693 1.244 0.476 1.00 0.00 N ATOM 407 CA VAL A 30 -17.499 2.349 -0.460 1.00 0.00 C ATOM 408 C VAL A 30 -17.947 3.653 0.210 1.00 0.00 C ATOM 409 O VAL A 30 -19.128 3.949 0.309 1.00 0.00 O ATOM 410 CB VAL A 30 -18.304 2.024 -1.708 1.00 0.00 C ATOM 411 CG1 VAL A 30 -18.351 3.219 -2.647 1.00 0.00 C ATOM 412 CG2 VAL A 30 -17.614 0.852 -2.408 1.00 0.00 C ATOM 0 H VAL A 30 -18.605 0.792 0.416 1.00 0.00 H new ATOM 0 HA VAL A 30 -16.454 2.480 -0.741 1.00 0.00 H new ATOM 0 HB VAL A 30 -19.328 1.772 -1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -18.932 2.963 -3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -18.817 4.063 -2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -17.337 3.489 -2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -18.166 0.591 -3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -16.596 1.136 -2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -17.587 -0.007 -1.738 1.00 0.00 H new ATOM 422 N TRP A 31 -16.981 4.416 0.679 1.00 0.00 N ATOM 423 CA TRP A 31 -17.258 5.707 1.366 1.00 0.00 C ATOM 424 C TRP A 31 -17.792 6.724 0.367 1.00 0.00 C ATOM 425 O TRP A 31 -18.463 7.676 0.746 1.00 0.00 O ATOM 426 CB TRP A 31 -15.945 6.205 2.006 1.00 0.00 C ATOM 427 CG TRP A 31 -15.789 5.602 3.391 1.00 0.00 C ATOM 428 CD1 TRP A 31 -16.574 4.617 3.915 1.00 0.00 C ATOM 429 CD2 TRP A 31 -14.815 5.924 4.426 1.00 0.00 C ATOM 430 NE1 TRP A 31 -16.163 4.340 5.180 1.00 0.00 N ATOM 431 CE2 TRP A 31 -15.081 5.114 5.554 1.00 0.00 C ATOM 432 CE3 TRP A 31 -13.741 6.833 4.505 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -14.320 5.205 6.715 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -12.974 6.924 5.676 1.00 0.00 C ATOM 435 CH2 TRP A 31 -13.266 6.115 6.778 1.00 0.00 C ATOM 0 H TRP A 31 -15.990 4.184 0.608 1.00 0.00 H new ATOM 0 HA TRP A 31 -18.013 5.571 2.140 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -15.096 5.928 1.381 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -15.951 7.293 2.071 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -17.394 4.133 3.404 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -16.601 3.643 5.782 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -13.507 7.463 3.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -14.545 4.574 7.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -12.153 7.624 5.726 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -12.675 6.195 7.678 1.00 0.00 H new ATOM 446 N ALA A 32 -17.527 6.517 -0.917 1.00 0.00 N ATOM 447 CA ALA A 32 -18.052 7.455 -1.973 1.00 0.00 C ATOM 448 C ALA A 32 -17.492 7.092 -3.348 1.00 0.00 C ATOM 449 O ALA A 32 -16.525 7.687 -3.822 1.00 0.00 O ATOM 450 CB ALA A 32 -17.679 8.904 -1.630 1.00 0.00 C ATOM 0 H ALA A 32 -16.971 5.740 -1.273 1.00 0.00 H new ATOM 0 HA ALA A 32 -19.137 7.360 -2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -18.064 9.571 -2.401 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -18.113 9.173 -0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -16.594 8.998 -1.578 1.00 0.00 H new ATOM 456 N ALA A 33 -18.122 6.144 -4.014 1.00 0.00 N ATOM 457 CA ALA A 33 -17.681 5.755 -5.372 1.00 0.00 C ATOM 458 C ALA A 33 -18.772 6.141 -6.336 1.00 0.00 C ATOM 459 O ALA A 33 -19.940 5.843 -6.109 1.00 0.00 O ATOM 460 CB ALA A 33 -17.461 4.245 -5.474 1.00 0.00 C ATOM 0 H ALA A 33 -18.927 5.628 -3.660 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.740 6.257 -5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.138 3.992 -6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.695 3.940 -4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -18.393 3.726 -5.251 1.00 0.00 H new ATOM 466 N VAL A 34 -18.415 6.792 -7.418 1.00 0.00 N ATOM 467 CA VAL A 34 -19.442 7.208 -8.451 1.00 0.00 C ATOM 468 C VAL A 34 -20.324 5.951 -8.809 1.00 0.00 C ATOM 469 O VAL A 34 -19.837 5.039 -9.454 1.00 0.00 O ATOM 470 CB VAL A 34 -18.709 7.739 -9.697 1.00 0.00 C ATOM 471 CG1 VAL A 34 -19.710 8.040 -10.818 1.00 0.00 C ATOM 472 CG2 VAL A 34 -17.971 9.029 -9.326 1.00 0.00 C ATOM 0 H VAL A 34 -17.455 7.058 -7.639 1.00 0.00 H new ATOM 0 HA VAL A 34 -20.088 7.998 -8.066 1.00 0.00 H new ATOM 0 HB VAL A 34 -18.004 6.984 -10.045 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -19.176 8.414 -11.692 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -20.245 7.128 -11.083 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -20.422 8.792 -10.478 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -17.448 9.414 -10.202 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -18.689 9.771 -8.977 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -17.250 8.821 -8.535 1.00 0.00 H new ATOM 482 N PRO A 35 -21.594 5.931 -8.331 1.00 0.00 N ATOM 483 CA PRO A 35 -22.503 4.787 -8.556 1.00 0.00 C ATOM 484 C PRO A 35 -22.968 4.704 -10.008 1.00 0.00 C ATOM 485 O PRO A 35 -23.242 5.713 -10.646 1.00 0.00 O ATOM 486 CB PRO A 35 -23.685 5.057 -7.614 1.00 0.00 C ATOM 487 CG PRO A 35 -23.665 6.580 -7.319 1.00 0.00 C ATOM 488 CD PRO A 35 -22.212 7.042 -7.560 1.00 0.00 C ATOM 0 HA PRO A 35 -22.014 3.833 -8.359 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -24.627 4.763 -8.077 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -23.589 4.481 -6.694 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -24.357 7.113 -7.971 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -23.974 6.783 -6.293 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -22.180 7.978 -8.117 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -21.688 7.213 -6.620 1.00 0.00 H new ATOM 496 N GLY A 36 -23.065 3.485 -10.526 1.00 0.00 N ATOM 497 CA GLY A 36 -23.519 3.276 -11.934 1.00 0.00 C ATOM 498 C GLY A 36 -22.346 2.828 -12.821 1.00 0.00 C ATOM 499 O GLY A 36 -22.536 2.575 -14.006 1.00 0.00 O ATOM 0 H GLY A 36 -22.844 2.628 -10.019 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -24.308 2.525 -11.959 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -23.945 4.200 -12.325 1.00 0.00 H new ATOM 503 N LYS A 37 -21.122 2.742 -12.271 1.00 0.00 N ATOM 504 CA LYS A 37 -19.953 2.330 -13.112 1.00 0.00 C ATOM 505 C LYS A 37 -19.409 0.949 -12.708 1.00 0.00 C ATOM 506 O LYS A 37 -19.595 -0.013 -13.441 1.00 0.00 O ATOM 507 CB LYS A 37 -18.849 3.397 -13.008 1.00 0.00 C ATOM 508 CG LYS A 37 -19.432 4.804 -13.342 1.00 0.00 C ATOM 509 CD LYS A 37 -20.277 4.757 -14.633 1.00 0.00 C ATOM 510 CE LYS A 37 -20.265 6.131 -15.310 1.00 0.00 C ATOM 511 NZ LYS A 37 -19.242 6.141 -16.395 1.00 0.00 N ATOM 0 H LYS A 37 -20.907 2.939 -11.294 1.00 0.00 H new ATOM 0 HA LYS A 37 -20.290 2.248 -14.145 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.427 3.399 -12.003 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.036 3.159 -13.694 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -20.047 5.154 -12.513 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.619 5.520 -13.460 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.879 4.003 -15.312 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -21.301 4.466 -14.398 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.249 6.354 -15.721 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.042 6.907 -14.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.649 6.567 -17.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.418 6.697 -16.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.945 5.166 -16.601 1.00 0.00 H new ATOM 525 N THR A 38 -18.706 0.836 -11.575 1.00 0.00 N ATOM 526 CA THR A 38 -18.117 -0.513 -11.178 1.00 0.00 C ATOM 527 C THR A 38 -17.413 -0.445 -9.804 1.00 0.00 C ATOM 528 O THR A 38 -17.449 -1.390 -9.037 1.00 0.00 O ATOM 529 CB THR A 38 -17.097 -0.911 -12.303 1.00 0.00 C ATOM 530 OG1 THR A 38 -17.769 -1.670 -13.294 1.00 0.00 O ATOM 531 CG2 THR A 38 -15.878 -1.721 -11.769 1.00 0.00 C ATOM 0 H THR A 38 -18.520 1.600 -10.926 1.00 0.00 H new ATOM 0 HA THR A 38 -18.908 -1.256 -11.081 1.00 0.00 H new ATOM 0 HB THR A 38 -16.702 0.016 -12.720 1.00 0.00 H new ATOM 0 HG1 THR A 38 -18.430 -1.105 -13.747 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.212 -1.964 -12.597 1.00 0.00 H new ATOM 0 HG22 THR A 38 -15.339 -1.124 -11.033 1.00 0.00 H new ATOM 0 HG23 THR A 38 -16.229 -2.642 -11.303 1.00 0.00 H new ATOM 539 N PHE A 39 -16.738 0.632 -9.552 1.00 0.00 N ATOM 540 CA PHE A 39 -15.938 0.802 -8.294 1.00 0.00 C ATOM 541 C PHE A 39 -16.776 0.658 -7.041 1.00 0.00 C ATOM 542 O PHE A 39 -16.335 0.086 -6.070 1.00 0.00 O ATOM 543 CB PHE A 39 -15.363 2.187 -8.296 1.00 0.00 C ATOM 544 CG PHE A 39 -14.119 2.279 -9.188 1.00 0.00 C ATOM 545 CD1 PHE A 39 -14.001 1.502 -10.360 1.00 0.00 C ATOM 546 CD2 PHE A 39 -13.080 3.149 -8.830 1.00 0.00 C ATOM 547 CE1 PHE A 39 -12.866 1.597 -11.143 1.00 0.00 C ATOM 548 CE2 PHE A 39 -11.938 3.233 -9.622 1.00 0.00 C ATOM 549 CZ PHE A 39 -11.839 2.448 -10.781 1.00 0.00 C ATOM 0 H PHE A 39 -16.700 1.434 -10.181 1.00 0.00 H new ATOM 0 HA PHE A 39 -15.174 0.025 -8.281 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -16.116 2.894 -8.646 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.104 2.476 -7.277 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -14.799 0.832 -10.646 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -13.165 3.754 -7.940 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.781 1.004 -12.041 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.133 3.898 -9.346 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.953 2.509 -11.395 1.00 0.00 H new ATOM 559 N VAL A 40 -17.950 1.218 -7.050 1.00 0.00 N ATOM 560 CA VAL A 40 -18.857 1.181 -5.849 1.00 0.00 C ATOM 561 C VAL A 40 -19.106 -0.282 -5.432 1.00 0.00 C ATOM 562 O VAL A 40 -19.454 -0.555 -4.288 1.00 0.00 O ATOM 563 CB VAL A 40 -20.187 1.908 -6.172 1.00 0.00 C ATOM 564 CG1 VAL A 40 -20.689 1.481 -7.539 1.00 0.00 C ATOM 565 CG2 VAL A 40 -21.246 1.581 -5.102 1.00 0.00 C ATOM 0 H VAL A 40 -18.337 1.714 -7.853 1.00 0.00 H new ATOM 0 HA VAL A 40 -18.384 1.698 -5.014 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.008 2.983 -6.174 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.624 1.995 -7.760 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -19.947 1.736 -8.295 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.857 0.404 -7.545 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -22.176 2.098 -5.340 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.423 0.506 -5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -20.889 1.908 -4.125 1.00 0.00 H new ATOM 575 N ASN A 41 -18.904 -1.222 -6.339 1.00 0.00 N ATOM 576 CA ASN A 41 -19.092 -2.654 -6.005 1.00 0.00 C ATOM 577 C ASN A 41 -17.793 -3.209 -5.379 1.00 0.00 C ATOM 578 O ASN A 41 -17.546 -4.412 -5.410 1.00 0.00 O ATOM 579 CB ASN A 41 -19.415 -3.417 -7.271 1.00 0.00 C ATOM 580 CG ASN A 41 -20.928 -3.429 -7.488 1.00 0.00 C ATOM 581 OD1 ASN A 41 -21.669 -3.879 -6.639 1.00 0.00 O ATOM 582 ND2 ASN A 41 -21.421 -2.954 -8.598 1.00 0.00 N ATOM 0 H ASN A 41 -18.615 -1.042 -7.300 1.00 0.00 H new ATOM 0 HA ASN A 41 -19.910 -2.765 -5.293 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -18.918 -2.954 -8.124 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -19.039 -4.438 -7.199 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -22.429 -2.961 -8.752 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -20.798 -2.576 -9.312 1.00 0.00 H new ATOM 589 N ILE A 42 -16.943 -2.330 -4.816 1.00 0.00 N ATOM 590 CA ILE A 42 -15.667 -2.786 -4.213 1.00 0.00 C ATOM 591 C ILE A 42 -15.940 -3.585 -2.889 1.00 0.00 C ATOM 592 O ILE A 42 -16.481 -3.078 -1.921 1.00 0.00 O ATOM 593 CB ILE A 42 -14.747 -1.536 -3.973 1.00 0.00 C ATOM 594 CG1 ILE A 42 -13.886 -1.310 -5.224 1.00 0.00 C ATOM 595 CG2 ILE A 42 -13.820 -1.726 -2.750 1.00 0.00 C ATOM 596 CD1 ILE A 42 -13.446 0.158 -5.299 1.00 0.00 C ATOM 0 H ILE A 42 -17.106 -1.324 -4.764 1.00 0.00 H new ATOM 0 HA ILE A 42 -15.152 -3.468 -4.889 1.00 0.00 H new ATOM 0 HB ILE A 42 -15.387 -0.676 -3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.011 -1.960 -5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -14.451 -1.575 -6.118 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -13.201 -0.838 -2.621 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -14.424 -1.881 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -13.180 -2.594 -2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.836 0.310 -6.189 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -14.326 0.799 -5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.863 0.409 -4.413 1.00 0.00 H new ATOM 608 N THR A 43 -15.528 -4.816 -2.898 1.00 0.00 N ATOM 609 CA THR A 43 -15.661 -5.770 -1.735 1.00 0.00 C ATOM 610 C THR A 43 -14.241 -5.984 -1.135 1.00 0.00 C ATOM 611 O THR A 43 -13.295 -5.417 -1.653 1.00 0.00 O ATOM 612 CB THR A 43 -16.201 -7.102 -2.334 1.00 0.00 C ATOM 613 OG1 THR A 43 -15.648 -7.315 -3.636 1.00 0.00 O ATOM 614 CG2 THR A 43 -17.712 -7.018 -2.448 1.00 0.00 C ATOM 0 H THR A 43 -15.075 -5.236 -3.710 1.00 0.00 H new ATOM 0 HA THR A 43 -16.326 -5.403 -0.953 1.00 0.00 H new ATOM 0 HB THR A 43 -15.917 -7.928 -1.683 1.00 0.00 H new ATOM 0 HG1 THR A 43 -15.992 -8.156 -4.004 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.098 -7.948 -2.867 1.00 0.00 H new ATOM 0 HG22 THR A 43 -18.143 -6.859 -1.460 1.00 0.00 H new ATOM 0 HG23 THR A 43 -17.982 -6.187 -3.100 1.00 0.00 H new ATOM 622 N PRO A 44 -14.095 -6.826 -0.075 1.00 0.00 N ATOM 623 CA PRO A 44 -12.761 -7.095 0.502 1.00 0.00 C ATOM 624 C PRO A 44 -11.895 -7.959 -0.426 1.00 0.00 C ATOM 625 O PRO A 44 -10.746 -8.253 -0.117 1.00 0.00 O ATOM 626 CB PRO A 44 -13.042 -7.790 1.807 1.00 0.00 C ATOM 627 CG PRO A 44 -14.474 -8.373 1.706 1.00 0.00 C ATOM 628 CD PRO A 44 -15.199 -7.551 0.617 1.00 0.00 C ATOM 0 HA PRO A 44 -12.189 -6.178 0.641 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.315 -8.581 1.988 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.967 -7.092 2.641 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.446 -9.430 1.442 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.993 -8.297 2.661 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.748 -8.194 -0.071 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.921 -6.860 1.052 1.00 0.00 H new ATOM 636 N ALA A 45 -12.427 -8.326 -1.562 1.00 0.00 N ATOM 637 CA ALA A 45 -11.664 -9.130 -2.560 1.00 0.00 C ATOM 638 C ALA A 45 -10.804 -8.167 -3.359 1.00 0.00 C ATOM 639 O ALA A 45 -9.568 -8.185 -3.302 1.00 0.00 O ATOM 640 CB ALA A 45 -12.652 -9.822 -3.488 1.00 0.00 C ATOM 0 H ALA A 45 -13.380 -8.097 -1.845 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.043 -9.881 -2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.107 -10.414 -4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.302 -10.475 -2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.256 -9.073 -4.000 1.00 0.00 H new ATOM 646 N GLU A 46 -11.468 -7.309 -4.081 1.00 0.00 N ATOM 647 CA GLU A 46 -10.756 -6.253 -4.910 1.00 0.00 C ATOM 648 C GLU A 46 -9.919 -5.378 -3.982 1.00 0.00 C ATOM 649 O GLU A 46 -8.809 -4.982 -4.317 1.00 0.00 O ATOM 650 CB GLU A 46 -11.760 -5.365 -5.700 1.00 0.00 C ATOM 651 CG GLU A 46 -13.094 -5.236 -4.987 1.00 0.00 C ATOM 652 CD GLU A 46 -14.121 -6.174 -5.648 1.00 0.00 C ATOM 653 OE1 GLU A 46 -13.799 -7.336 -5.837 1.00 0.00 O ATOM 654 OE2 GLU A 46 -15.208 -5.711 -5.950 1.00 0.00 O ATOM 0 H GLU A 46 -12.486 -7.281 -4.143 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.120 -6.759 -5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.330 -4.374 -5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.919 -5.792 -6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.981 -5.488 -3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.445 -4.205 -5.032 1.00 0.00 H new ATOM 661 N VAL A 47 -10.428 -5.125 -2.795 1.00 0.00 N ATOM 662 CA VAL A 47 -9.684 -4.340 -1.782 1.00 0.00 C ATOM 663 C VAL A 47 -8.629 -5.228 -1.108 1.00 0.00 C ATOM 664 O VAL A 47 -7.635 -4.730 -0.625 1.00 0.00 O ATOM 665 CB VAL A 47 -10.707 -3.673 -0.810 1.00 0.00 C ATOM 666 CG1 VAL A 47 -10.197 -3.593 0.586 1.00 0.00 C ATOM 667 CG2 VAL A 47 -10.879 -2.200 -1.227 1.00 0.00 C ATOM 0 H VAL A 47 -11.349 -5.442 -2.490 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.121 -3.524 -2.235 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.617 -4.271 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.947 -3.121 1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.989 -4.597 0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.281 -3.002 0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.591 -1.714 -0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.918 -1.690 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.250 -2.153 -2.251 1.00 0.00 H new ATOM 677 N GLY A 48 -8.827 -6.531 -1.114 1.00 0.00 N ATOM 678 CA GLY A 48 -7.817 -7.462 -0.513 1.00 0.00 C ATOM 679 C GLY A 48 -6.494 -7.333 -1.280 1.00 0.00 C ATOM 680 O GLY A 48 -5.422 -7.520 -0.732 1.00 0.00 O ATOM 0 H GLY A 48 -9.648 -6.988 -1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.666 -7.223 0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.179 -8.489 -0.558 1.00 0.00 H new ATOM 684 N VAL A 49 -6.583 -7.016 -2.552 1.00 0.00 N ATOM 685 CA VAL A 49 -5.340 -6.860 -3.416 1.00 0.00 C ATOM 686 C VAL A 49 -4.882 -5.395 -3.402 1.00 0.00 C ATOM 687 O VAL A 49 -3.691 -5.103 -3.411 1.00 0.00 O ATOM 688 CB VAL A 49 -5.633 -7.330 -4.860 1.00 0.00 C ATOM 689 CG1 VAL A 49 -6.781 -6.513 -5.465 1.00 0.00 C ATOM 690 CG2 VAL A 49 -4.368 -7.161 -5.723 1.00 0.00 C ATOM 0 H VAL A 49 -7.463 -6.855 -3.042 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.539 -7.480 -3.012 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.924 -8.380 -4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.975 -6.856 -6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.678 -6.643 -4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.506 -5.458 -5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.575 -7.492 -6.741 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.074 -6.112 -5.736 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.559 -7.759 -5.304 1.00 0.00 H new ATOM 700 N LEU A 50 -5.822 -4.497 -3.331 1.00 0.00 N ATOM 701 CA LEU A 50 -5.532 -3.039 -3.257 1.00 0.00 C ATOM 702 C LEU A 50 -5.050 -2.653 -1.877 1.00 0.00 C ATOM 703 O LEU A 50 -4.662 -1.507 -1.661 1.00 0.00 O ATOM 704 CB LEU A 50 -6.836 -2.284 -3.520 1.00 0.00 C ATOM 705 CG LEU A 50 -7.032 -1.912 -4.970 1.00 0.00 C ATOM 706 CD1 LEU A 50 -8.463 -1.355 -5.129 1.00 0.00 C ATOM 707 CD2 LEU A 50 -6.042 -0.815 -5.334 1.00 0.00 C ATOM 0 H LEU A 50 -6.817 -4.723 -3.321 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.761 -2.795 -3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.675 -2.899 -3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.851 -1.377 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.880 -2.780 -5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.632 -1.078 -6.169 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.185 -2.117 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.584 -0.477 -4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.174 -0.538 -6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.216 0.056 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.025 -1.177 -5.180 1.00 0.00 H new ATOM 719 N VAL A 51 -5.147 -3.553 -0.908 1.00 0.00 N ATOM 720 CA VAL A 51 -4.778 -3.169 0.500 1.00 0.00 C ATOM 721 C VAL A 51 -4.290 -4.382 1.316 1.00 0.00 C ATOM 722 O VAL A 51 -3.419 -4.248 2.165 1.00 0.00 O ATOM 723 CB VAL A 51 -6.057 -2.489 1.175 1.00 0.00 C ATOM 724 CG1 VAL A 51 -6.940 -1.771 0.118 1.00 0.00 C ATOM 725 CG2 VAL A 51 -6.947 -3.515 1.910 1.00 0.00 C ATOM 0 H VAL A 51 -5.460 -4.516 -1.032 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.946 -2.465 0.481 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.662 -1.770 1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.801 -1.319 0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.356 -0.995 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.283 -2.494 -0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.803 -3.004 2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.298 -4.265 1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.369 -4.001 2.696 1.00 0.00 H new ATOM 735 N GLY A 52 -4.848 -5.552 1.070 1.00 0.00 N ATOM 736 CA GLY A 52 -4.435 -6.795 1.832 1.00 0.00 C ATOM 737 C GLY A 52 -2.925 -6.939 1.761 1.00 0.00 C ATOM 738 O GLY A 52 -2.368 -7.094 0.697 1.00 0.00 O ATOM 0 H GLY A 52 -5.576 -5.704 0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.758 -6.725 2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.918 -7.675 1.407 1.00 0.00 H new ATOM 822 N PHE A 58 0.020 -9.119 -7.678 1.00 0.00 N ATOM 823 CA PHE A 58 -0.696 -8.025 -8.477 1.00 0.00 C ATOM 824 C PHE A 58 0.247 -6.906 -9.018 1.00 0.00 C ATOM 825 O PHE A 58 -0.109 -6.229 -9.974 1.00 0.00 O ATOM 826 CB PHE A 58 -1.863 -7.435 -7.654 1.00 0.00 C ATOM 827 CG PHE A 58 -1.436 -6.281 -6.797 1.00 0.00 C ATOM 828 CD1 PHE A 58 -1.379 -5.005 -7.340 1.00 0.00 C ATOM 829 CD2 PHE A 58 -1.135 -6.484 -5.461 1.00 0.00 C ATOM 830 CE1 PHE A 58 -1.025 -3.936 -6.544 1.00 0.00 C ATOM 831 CE2 PHE A 58 -0.783 -5.403 -4.658 1.00 0.00 C ATOM 832 CZ PHE A 58 -0.733 -4.128 -5.201 1.00 0.00 C ATOM 0 HA PHE A 58 -1.095 -8.510 -9.368 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.652 -7.108 -8.331 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.288 -8.215 -7.022 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.611 -4.850 -8.383 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.173 -7.479 -5.043 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.975 -2.944 -6.968 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.549 -5.557 -3.615 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.467 -3.286 -4.580 1.00 0.00 H new ATOM 842 N TYR A 59 1.421 -6.673 -8.420 1.00 0.00 N ATOM 843 CA TYR A 59 2.308 -5.565 -8.947 1.00 0.00 C ATOM 844 C TYR A 59 2.715 -5.796 -10.403 1.00 0.00 C ATOM 845 O TYR A 59 3.302 -4.916 -11.027 1.00 0.00 O ATOM 846 CB TYR A 59 3.575 -5.389 -8.106 1.00 0.00 C ATOM 847 CG TYR A 59 3.263 -5.143 -6.653 1.00 0.00 C ATOM 848 CD1 TYR A 59 2.431 -4.090 -6.299 1.00 0.00 C ATOM 849 CD2 TYR A 59 3.859 -5.932 -5.652 1.00 0.00 C ATOM 850 CE1 TYR A 59 2.185 -3.815 -4.948 1.00 0.00 C ATOM 851 CE2 TYR A 59 3.604 -5.659 -4.308 1.00 0.00 C ATOM 852 CZ TYR A 59 2.772 -4.601 -3.956 1.00 0.00 C ATOM 853 OH TYR A 59 2.527 -4.333 -2.626 1.00 0.00 O ATOM 0 H TYR A 59 1.786 -7.187 -7.618 1.00 0.00 H new ATOM 0 HA TYR A 59 1.708 -4.657 -8.882 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.196 -6.280 -8.197 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.156 -4.554 -8.498 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.973 -3.482 -7.066 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.513 -6.748 -5.924 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.540 -2.993 -4.674 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.053 -6.270 -3.539 1.00 0.00 H new ATOM 0 HH TYR A 59 3.012 -4.976 -2.068 1.00 0.00 H new ATOM 863 N VAL A 60 2.426 -6.946 -10.940 1.00 0.00 N ATOM 864 CA VAL A 60 2.785 -7.261 -12.330 1.00 0.00 C ATOM 865 C VAL A 60 1.520 -7.520 -13.146 1.00 0.00 C ATOM 866 O VAL A 60 1.461 -7.172 -14.320 1.00 0.00 O ATOM 867 CB VAL A 60 3.678 -8.493 -12.353 1.00 0.00 C ATOM 868 CG1 VAL A 60 5.097 -8.077 -11.997 1.00 0.00 C ATOM 869 CG2 VAL A 60 3.196 -9.544 -11.340 1.00 0.00 C ATOM 0 H VAL A 60 1.941 -7.697 -10.450 1.00 0.00 H new ATOM 0 HA VAL A 60 3.320 -6.418 -12.767 1.00 0.00 H new ATOM 0 HB VAL A 60 3.642 -8.932 -13.350 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.747 -8.952 -12.010 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.455 -7.348 -12.724 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.107 -7.633 -11.002 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.852 -10.414 -11.378 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.215 -9.118 -10.337 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.178 -9.847 -11.586 1.00 0.00 H new ATOM 879 N ASN A 61 0.495 -8.132 -12.538 1.00 0.00 N ATOM 880 CA ASN A 61 -0.750 -8.405 -13.277 1.00 0.00 C ATOM 881 C ASN A 61 -1.710 -7.214 -13.130 1.00 0.00 C ATOM 882 O ASN A 61 -2.160 -6.664 -14.128 1.00 0.00 O ATOM 883 CB ASN A 61 -1.383 -9.722 -12.800 1.00 0.00 C ATOM 884 CG ASN A 61 -1.664 -9.727 -11.319 1.00 0.00 C ATOM 885 OD1 ASN A 61 -2.615 -9.126 -10.863 1.00 0.00 O ATOM 886 ND2 ASN A 61 -0.884 -10.423 -10.535 1.00 0.00 N ATOM 0 H ASN A 61 0.497 -8.441 -11.566 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.526 -8.526 -14.337 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.313 -9.892 -13.343 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.717 -10.550 -13.042 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.073 -10.464 -9.533 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.087 -10.926 -10.925 1.00 0.00 H new ATOM 893 N GLY A 62 -1.999 -6.778 -11.902 1.00 0.00 N ATOM 894 CA GLY A 62 -2.888 -5.597 -11.710 1.00 0.00 C ATOM 895 C GLY A 62 -3.916 -5.848 -10.626 1.00 0.00 C ATOM 896 O GLY A 62 -4.360 -6.969 -10.410 1.00 0.00 O ATOM 0 H GLY A 62 -1.650 -7.199 -11.041 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.287 -4.726 -11.449 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.394 -5.365 -12.647 1.00 0.00 H new ATOM 900 N LEU A 63 -4.308 -4.782 -9.953 1.00 0.00 N ATOM 901 CA LEU A 63 -5.327 -4.875 -8.877 1.00 0.00 C ATOM 902 C LEU A 63 -6.669 -5.160 -9.532 1.00 0.00 C ATOM 903 O LEU A 63 -6.729 -5.645 -10.659 1.00 0.00 O ATOM 904 CB LEU A 63 -5.397 -3.527 -8.083 1.00 0.00 C ATOM 905 CG LEU A 63 -4.024 -3.143 -7.528 1.00 0.00 C ATOM 906 CD1 LEU A 63 -3.884 -1.625 -7.561 1.00 0.00 C ATOM 907 CD2 LEU A 63 -3.925 -3.636 -6.077 1.00 0.00 C ATOM 0 H LEU A 63 -3.951 -3.841 -10.117 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.067 -5.669 -8.177 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.763 -2.735 -8.736 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.111 -3.620 -7.264 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.233 -3.595 -8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.908 -1.341 -7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.977 -1.273 -8.588 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.667 -1.174 -6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.951 -3.369 -5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.709 -3.170 -5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.045 -4.719 -6.052 1.00 0.00 H new ATOM 919 N THR A 64 -7.734 -4.844 -8.843 1.00 0.00 N ATOM 920 CA THR A 64 -9.076 -5.059 -9.353 1.00 0.00 C ATOM 921 C THR A 64 -9.968 -4.183 -8.568 1.00 0.00 C ATOM 922 O THR A 64 -9.971 -4.246 -7.366 1.00 0.00 O ATOM 923 CB THR A 64 -9.485 -6.507 -9.145 1.00 0.00 C ATOM 924 OG1 THR A 64 -9.187 -6.897 -7.812 1.00 0.00 O ATOM 925 CG2 THR A 64 -8.725 -7.376 -10.113 1.00 0.00 C ATOM 0 H THR A 64 -7.703 -4.430 -7.911 1.00 0.00 H new ATOM 0 HA THR A 64 -9.129 -4.838 -10.419 1.00 0.00 H new ATOM 0 HB THR A 64 -10.555 -6.618 -9.318 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.452 -7.831 -7.677 1.00 0.00 H new ATOM 0 HG21 THR A 64 -9.013 -8.418 -9.970 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.957 -7.072 -11.134 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.655 -7.268 -9.936 1.00 0.00 H new ATOM 933 N LEU A 65 -10.692 -3.359 -9.221 1.00 0.00 N ATOM 934 CA LEU A 65 -11.620 -2.430 -8.515 1.00 0.00 C ATOM 935 C LEU A 65 -13.023 -2.578 -9.065 1.00 0.00 C ATOM 936 O LEU A 65 -13.344 -2.148 -10.157 1.00 0.00 O ATOM 937 CB LEU A 65 -11.105 -0.987 -8.549 1.00 0.00 C ATOM 938 CG LEU A 65 -10.230 -0.689 -9.790 1.00 0.00 C ATOM 939 CD1 LEU A 65 -11.033 -0.823 -11.069 1.00 0.00 C ATOM 940 CD2 LEU A 65 -9.676 0.737 -9.666 1.00 0.00 C ATOM 0 H LEU A 65 -10.693 -3.274 -10.237 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.659 -2.701 -7.460 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.954 -0.303 -8.537 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.525 -0.792 -7.647 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.414 -1.410 -9.834 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.393 -0.608 -11.925 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.420 -1.839 -11.151 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.865 -0.119 -11.052 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.056 0.963 -10.534 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.503 1.445 -9.616 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.075 0.816 -8.760 1.00 0.00 H new ATOM 952 N GLY A 66 -13.857 -3.254 -8.296 1.00 0.00 N ATOM 953 CA GLY A 66 -15.251 -3.521 -8.714 1.00 0.00 C ATOM 954 C GLY A 66 -15.234 -4.615 -9.782 1.00 0.00 C ATOM 955 O GLY A 66 -16.143 -4.713 -10.597 1.00 0.00 O ATOM 0 H GLY A 66 -13.610 -3.633 -7.382 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -15.850 -3.835 -7.859 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.709 -2.614 -9.108 1.00 0.00 H new ATOM 959 N GLY A 67 -14.185 -5.439 -9.787 1.00 0.00 N ATOM 960 CA GLY A 67 -14.066 -6.526 -10.791 1.00 0.00 C ATOM 961 C GLY A 67 -13.317 -6.013 -12.033 1.00 0.00 C ATOM 962 O GLY A 67 -13.309 -6.678 -13.061 1.00 0.00 O ATOM 0 H GLY A 67 -13.412 -5.386 -9.124 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.534 -7.374 -10.360 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -15.057 -6.881 -11.074 1.00 0.00 H new ATOM 966 N GLN A 68 -12.679 -4.824 -11.957 1.00 0.00 N ATOM 967 CA GLN A 68 -11.929 -4.293 -13.172 1.00 0.00 C ATOM 968 C GLN A 68 -10.417 -4.396 -12.943 1.00 0.00 C ATOM 969 O GLN A 68 -9.833 -3.646 -12.179 1.00 0.00 O ATOM 970 CB GLN A 68 -12.346 -2.849 -13.447 1.00 0.00 C ATOM 971 CG GLN A 68 -11.310 -2.075 -14.345 1.00 0.00 C ATOM 972 CD GLN A 68 -10.874 -2.932 -15.561 1.00 0.00 C ATOM 973 OE1 GLN A 68 -9.631 -2.848 -16.004 1.00 0.00 O flip ATOM 974 NE2 GLN A 68 -11.664 -3.674 -16.109 1.00 0.00 N flip ATOM 0 H GLN A 68 -12.652 -4.226 -11.131 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.181 -4.895 -14.045 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.320 -2.844 -13.937 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -12.463 -2.323 -12.500 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.753 -1.142 -14.694 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.435 -1.810 -13.751 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.623 -3.739 -15.768 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.368 -4.232 -16.910 1.00 0.00 H new ATOM 983 N LYS A 69 -9.801 -5.318 -13.623 1.00 0.00 N ATOM 984 CA LYS A 69 -8.327 -5.531 -13.506 1.00 0.00 C ATOM 985 C LYS A 69 -7.559 -4.320 -14.044 1.00 0.00 C ATOM 986 O LYS A 69 -7.496 -4.109 -15.252 1.00 0.00 O ATOM 987 CB LYS A 69 -7.951 -6.766 -14.337 1.00 0.00 C ATOM 988 CG LYS A 69 -7.086 -7.720 -13.508 1.00 0.00 C ATOM 989 CD LYS A 69 -7.459 -9.166 -13.851 1.00 0.00 C ATOM 990 CE LYS A 69 -6.190 -10.023 -13.945 1.00 0.00 C ATOM 991 NZ LYS A 69 -6.488 -11.283 -14.693 1.00 0.00 N ATOM 0 H LYS A 69 -10.267 -5.951 -14.273 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.067 -5.670 -12.457 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.854 -7.278 -14.669 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.411 -6.460 -15.233 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.030 -7.545 -13.715 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.237 -7.535 -12.444 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.126 -9.570 -13.089 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.000 -9.197 -14.797 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.400 -9.467 -14.450 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.824 -10.260 -12.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.626 -11.862 -14.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.228 -11.816 -14.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.817 -11.048 -15.651 1.00 0.00 H new ATOM 1005 N CYS A 70 -6.917 -3.556 -13.162 1.00 0.00 N ATOM 1006 CA CYS A 70 -6.090 -2.407 -13.609 1.00 0.00 C ATOM 1007 C CYS A 70 -4.679 -2.748 -13.177 1.00 0.00 C ATOM 1008 O CYS A 70 -4.484 -3.335 -12.131 1.00 0.00 O ATOM 1009 CB CYS A 70 -6.561 -1.135 -12.964 1.00 0.00 C ATOM 1010 SG CYS A 70 -6.959 -1.389 -11.204 1.00 0.00 S ATOM 0 H CYS A 70 -6.943 -3.696 -12.152 1.00 0.00 H new ATOM 0 HA CYS A 70 -6.155 -2.246 -14.685 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -5.789 -0.371 -13.057 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.442 -0.764 -13.488 1.00 0.00 H new ATOM 0 HG CYS A 70 -7.887 -2.292 -11.095 1.00 0.00 H new ATOM 1016 N SER A 71 -3.718 -2.464 -13.987 1.00 0.00 N ATOM 1017 CA SER A 71 -2.305 -2.858 -13.654 1.00 0.00 C ATOM 1018 C SER A 71 -1.485 -1.703 -13.120 1.00 0.00 C ATOM 1019 O SER A 71 -1.267 -0.710 -13.780 1.00 0.00 O ATOM 1020 CB SER A 71 -1.640 -3.452 -14.872 1.00 0.00 C ATOM 1021 OG SER A 71 -0.968 -2.455 -15.614 1.00 0.00 O ATOM 0 H SER A 71 -3.833 -1.974 -14.874 1.00 0.00 H new ATOM 0 HA SER A 71 -2.355 -3.602 -12.859 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.932 -4.223 -14.566 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.388 -3.937 -15.500 1.00 0.00 H new ATOM 0 HG SER A 71 -1.235 -1.570 -15.289 1.00 0.00 H new ATOM 1027 N VAL A 72 -1.004 -1.877 -11.941 1.00 0.00 N ATOM 1028 CA VAL A 72 -0.151 -0.863 -11.263 1.00 0.00 C ATOM 1029 C VAL A 72 0.947 -0.337 -12.171 1.00 0.00 C ATOM 1030 O VAL A 72 1.717 -1.092 -12.755 1.00 0.00 O ATOM 1031 CB VAL A 72 0.566 -1.481 -10.064 1.00 0.00 C ATOM 1032 CG1 VAL A 72 1.027 -0.374 -9.135 1.00 0.00 C ATOM 1033 CG2 VAL A 72 -0.318 -2.449 -9.289 1.00 0.00 C ATOM 0 H VAL A 72 -1.169 -2.716 -11.385 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.825 -0.058 -10.971 1.00 0.00 H new ATOM 0 HB VAL A 72 1.414 -2.048 -10.447 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.540 -0.809 -8.277 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.709 0.288 -9.668 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.164 0.196 -8.791 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.241 -2.859 -8.448 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.197 -1.922 -8.918 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.632 -3.260 -9.946 1.00 0.00 H new ATOM 1043 N ILE A 73 1.058 0.953 -12.208 1.00 0.00 N ATOM 1044 CA ILE A 73 2.134 1.620 -12.968 1.00 0.00 C ATOM 1045 C ILE A 73 2.733 2.713 -12.024 1.00 0.00 C ATOM 1046 O ILE A 73 2.536 3.873 -12.174 1.00 0.00 O ATOM 1047 CB ILE A 73 1.610 2.183 -14.300 1.00 0.00 C ATOM 1048 CG1 ILE A 73 1.553 1.033 -15.355 1.00 0.00 C ATOM 1049 CG2 ILE A 73 2.520 3.314 -14.841 1.00 0.00 C ATOM 1050 CD1 ILE A 73 0.105 0.770 -15.792 1.00 0.00 C ATOM 0 H ILE A 73 0.425 1.592 -11.726 1.00 0.00 H new ATOM 0 HA ILE A 73 2.918 0.920 -13.256 1.00 0.00 H new ATOM 0 HB ILE A 73 0.618 2.598 -14.123 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.158 1.298 -16.222 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.982 0.124 -14.933 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.117 3.686 -15.783 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.559 4.127 -14.117 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.525 2.925 -15.005 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.087 -0.035 -16.527 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.490 0.483 -14.925 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.312 1.675 -16.234 1.00 0.00 H new ATOM 1062 N ARG A 74 3.425 2.240 -11.041 1.00 0.00 N ATOM 1063 CA ARG A 74 4.123 3.070 -9.947 1.00 0.00 C ATOM 1064 C ARG A 74 3.422 2.814 -8.612 1.00 0.00 C ATOM 1065 O ARG A 74 2.696 3.664 -8.097 1.00 0.00 O ATOM 1066 CB ARG A 74 4.153 4.593 -10.242 1.00 0.00 C ATOM 1067 CG ARG A 74 5.296 5.237 -9.452 1.00 0.00 C ATOM 1068 CD ARG A 74 5.233 6.760 -9.600 1.00 0.00 C ATOM 1069 NE ARG A 74 5.607 7.399 -8.305 1.00 0.00 N ATOM 1070 CZ ARG A 74 6.841 7.763 -8.087 1.00 0.00 C ATOM 1071 NH1 ARG A 74 7.684 6.925 -7.549 1.00 0.00 N ATOM 1072 NH2 ARG A 74 7.230 8.968 -8.401 1.00 0.00 N ATOM 0 H ARG A 74 3.563 1.237 -10.916 1.00 0.00 H new ATOM 0 HA ARG A 74 5.164 2.749 -9.915 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.290 4.766 -11.309 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.202 5.048 -9.965 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.224 4.961 -8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.255 4.866 -9.814 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.910 7.088 -10.389 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.229 7.067 -9.893 1.00 0.00 H new ATOM 0 HE ARG A 74 4.897 7.552 -7.589 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.379 5.985 -7.299 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.648 7.210 -7.379 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.570 9.625 -8.817 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.194 9.253 -8.231 1.00 0.00 H new ATOM 1086 N ASP A 75 3.629 1.631 -8.041 1.00 0.00 N ATOM 1087 CA ASP A 75 2.975 1.307 -6.746 1.00 0.00 C ATOM 1088 C ASP A 75 3.625 2.076 -5.617 1.00 0.00 C ATOM 1089 O ASP A 75 4.734 1.778 -5.182 1.00 0.00 O ATOM 1090 CB ASP A 75 2.950 -0.243 -6.500 1.00 0.00 C ATOM 1091 CG ASP A 75 3.016 -0.606 -4.995 1.00 0.00 C ATOM 1092 OD1 ASP A 75 2.321 0.031 -4.222 1.00 0.00 O ATOM 1093 OD2 ASP A 75 3.767 -1.506 -4.655 1.00 0.00 O ATOM 0 H ASP A 75 4.220 0.894 -8.426 1.00 0.00 H new ATOM 0 HA ASP A 75 1.933 1.626 -6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.041 -0.662 -6.932 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.791 -0.704 -7.019 1.00 0.00 H new ATOM 1098 N SER A 76 2.900 3.057 -5.122 1.00 0.00 N ATOM 1099 CA SER A 76 3.392 3.880 -3.980 1.00 0.00 C ATOM 1100 C SER A 76 2.208 4.172 -3.030 1.00 0.00 C ATOM 1101 O SER A 76 2.241 5.103 -2.278 1.00 0.00 O ATOM 1102 CB SER A 76 4.004 5.195 -4.502 1.00 0.00 C ATOM 1103 OG SER A 76 5.388 4.996 -4.754 1.00 0.00 O ATOM 0 H SER A 76 1.978 3.320 -5.470 1.00 0.00 H new ATOM 0 HA SER A 76 4.166 3.337 -3.437 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.497 5.509 -5.414 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.866 5.991 -3.770 1.00 0.00 H new ATOM 0 HG SER A 76 5.783 5.829 -5.088 1.00 0.00 H new ATOM 1109 N LEU A 77 1.167 3.339 -3.094 1.00 0.00 N ATOM 1110 CA LEU A 77 -0.079 3.486 -2.234 1.00 0.00 C ATOM 1111 C LEU A 77 0.261 3.596 -0.786 1.00 0.00 C ATOM 1112 O LEU A 77 -0.496 4.200 -0.030 1.00 0.00 O ATOM 1113 CB LEU A 77 -0.914 2.233 -2.469 1.00 0.00 C ATOM 1114 CG LEU A 77 -2.398 2.488 -2.324 1.00 0.00 C ATOM 1115 CD1 LEU A 77 -2.858 3.531 -3.341 1.00 0.00 C ATOM 1116 CD2 LEU A 77 -3.138 1.175 -2.594 1.00 0.00 C ATOM 0 H LEU A 77 1.133 2.540 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.616 4.395 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.711 1.848 -3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.611 1.461 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.609 2.856 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.928 3.705 -3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.319 4.464 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.656 3.170 -4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.212 1.335 -2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.914 0.832 -3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.816 0.421 -1.875 1.00 0.00 H new ATOM 1128 N LEU A 78 1.380 3.070 -0.365 1.00 0.00 N ATOM 1129 CA LEU A 78 1.743 3.202 1.055 1.00 0.00 C ATOM 1130 C LEU A 78 2.736 4.349 1.194 1.00 0.00 C ATOM 1131 O LEU A 78 3.702 4.430 0.484 1.00 0.00 O ATOM 1132 CB LEU A 78 2.217 1.892 1.584 1.00 0.00 C ATOM 1133 CG LEU A 78 1.024 0.891 1.502 1.00 0.00 C ATOM 1134 CD1 LEU A 78 1.493 -0.546 1.709 1.00 0.00 C ATOM 1135 CD2 LEU A 78 -0.024 1.224 2.579 1.00 0.00 C ATOM 0 H LEU A 78 2.047 2.561 -0.945 1.00 0.00 H new ATOM 0 HA LEU A 78 0.882 3.459 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.063 1.528 1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.560 1.996 2.614 1.00 0.00 H new ATOM 0 HG LEU A 78 0.586 0.985 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.639 -1.220 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.218 -0.807 0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.957 -0.639 2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.852 0.518 2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.433 1.154 3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.397 2.236 2.423 1.00 0.00 H new ATOM 1183 N GLU A 82 4.246 9.331 -0.934 1.00 0.00 N ATOM 1184 CA GLU A 82 3.447 9.279 -2.187 1.00 0.00 C ATOM 1185 C GLU A 82 1.977 8.768 -2.026 1.00 0.00 C ATOM 1186 O GLU A 82 1.047 9.397 -2.495 1.00 0.00 O ATOM 1187 CB GLU A 82 4.137 8.299 -3.109 1.00 0.00 C ATOM 1188 CG GLU A 82 5.153 8.983 -4.015 1.00 0.00 C ATOM 1189 CD GLU A 82 6.558 8.881 -3.407 1.00 0.00 C ATOM 1190 OE1 GLU A 82 6.922 7.797 -2.977 1.00 0.00 O ATOM 1191 OE2 GLU A 82 7.250 9.886 -3.394 1.00 0.00 O ATOM 0 HA GLU A 82 3.388 10.304 -2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.638 7.534 -2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.391 7.790 -3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.141 8.520 -5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.883 10.030 -4.151 1.00 0.00 H new ATOM 1198 N PHE A 83 1.808 7.564 -1.497 1.00 0.00 N ATOM 1199 CA PHE A 83 0.438 6.879 -1.424 1.00 0.00 C ATOM 1200 C PHE A 83 -0.266 6.824 -2.818 1.00 0.00 C ATOM 1201 O PHE A 83 -1.384 6.402 -2.881 1.00 0.00 O ATOM 1202 CB PHE A 83 -0.555 7.489 -0.437 1.00 0.00 C ATOM 1203 CG PHE A 83 -0.132 8.850 0.077 1.00 0.00 C ATOM 1204 CD1 PHE A 83 0.767 8.939 1.127 1.00 0.00 C ATOM 1205 CD2 PHE A 83 -0.663 10.015 -0.495 1.00 0.00 C ATOM 1206 CE1 PHE A 83 1.153 10.194 1.620 1.00 0.00 C ATOM 1207 CE2 PHE A 83 -0.281 11.271 -0.009 1.00 0.00 C ATOM 1208 CZ PHE A 83 0.629 11.360 1.051 1.00 0.00 C ATOM 0 H PHE A 83 2.569 7.011 -1.104 1.00 0.00 H new ATOM 0 HA PHE A 83 0.693 5.882 -1.063 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.528 7.577 -0.920 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.679 6.812 0.408 1.00 0.00 H new ATOM 0 HD1 PHE A 83 1.172 8.040 1.567 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.367 9.943 -1.311 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.854 10.260 2.439 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.687 12.169 -0.451 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.926 12.327 1.429 1.00 0.00 H new ATOM 1218 N SER A 84 0.363 7.245 -3.926 1.00 0.00 N ATOM 1219 CA SER A 84 -0.340 7.206 -5.256 1.00 0.00 C ATOM 1220 C SER A 84 0.129 6.008 -6.056 1.00 0.00 C ATOM 1221 O SER A 84 1.280 5.596 -5.979 1.00 0.00 O ATOM 1222 CB SER A 84 -0.061 8.500 -6.008 1.00 0.00 C ATOM 1223 OG SER A 84 1.332 8.787 -5.950 1.00 0.00 O ATOM 0 H SER A 84 1.317 7.605 -3.951 1.00 0.00 H new ATOM 0 HA SER A 84 -1.415 7.111 -5.101 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.382 8.408 -7.046 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.631 9.319 -5.570 1.00 0.00 H new ATOM 0 HG SER A 84 1.515 9.619 -6.435 1.00 0.00 H new ATOM 1229 N MET A 85 -0.786 5.426 -6.791 1.00 0.00 N ATOM 1230 CA MET A 85 -0.484 4.199 -7.601 1.00 0.00 C ATOM 1231 C MET A 85 -1.158 4.315 -8.975 1.00 0.00 C ATOM 1232 O MET A 85 -2.333 4.532 -9.045 1.00 0.00 O ATOM 1233 CB MET A 85 -1.086 3.039 -6.839 1.00 0.00 C ATOM 1234 CG MET A 85 -0.426 1.736 -7.202 1.00 0.00 C ATOM 1235 SD MET A 85 -0.077 0.822 -5.688 1.00 0.00 S ATOM 1236 CE MET A 85 -0.778 -0.723 -6.197 1.00 0.00 C ATOM 0 H MET A 85 -1.749 5.754 -6.867 1.00 0.00 H new ATOM 0 HA MET A 85 0.587 4.069 -7.754 1.00 0.00 H new ATOM 0 HB2 MET A 85 -0.983 3.214 -5.768 1.00 0.00 H new ATOM 0 HB3 MET A 85 -2.153 2.978 -7.051 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.076 1.152 -7.854 1.00 0.00 H new ATOM 0 HG3 MET A 85 0.496 1.920 -7.753 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.484 -1.069 -5.442 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.297 -0.592 -7.146 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.015 -1.461 -6.317 1.00 0.00 H new ATOM 1246 N ASP A 86 -0.424 4.176 -10.074 1.00 0.00 N ATOM 1247 CA ASP A 86 -1.085 4.302 -11.426 1.00 0.00 C ATOM 1248 C ASP A 86 -1.569 2.938 -11.940 1.00 0.00 C ATOM 1249 O ASP A 86 -0.995 2.364 -12.861 1.00 0.00 O ATOM 1250 CB ASP A 86 -0.096 4.872 -12.382 1.00 0.00 C ATOM 1251 CG ASP A 86 -0.194 6.400 -12.399 1.00 0.00 C ATOM 1252 OD1 ASP A 86 -1.109 6.907 -13.026 1.00 0.00 O ATOM 1253 OD2 ASP A 86 0.646 7.035 -11.784 1.00 0.00 O ATOM 0 H ASP A 86 0.578 3.986 -10.091 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.955 4.953 -11.336 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.912 4.568 -12.098 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.278 4.478 -13.382 1.00 0.00 H new ATOM 1258 N LEU A 87 -2.653 2.438 -11.415 1.00 0.00 N ATOM 1259 CA LEU A 87 -3.158 1.143 -11.926 1.00 0.00 C ATOM 1260 C LEU A 87 -4.110 1.449 -13.045 1.00 0.00 C ATOM 1261 O LEU A 87 -5.107 2.149 -12.874 1.00 0.00 O ATOM 1262 CB LEU A 87 -3.773 0.213 -10.832 1.00 0.00 C ATOM 1263 CG LEU A 87 -4.341 0.936 -9.590 1.00 0.00 C ATOM 1264 CD1 LEU A 87 -3.249 1.638 -8.793 1.00 0.00 C ATOM 1265 CD2 LEU A 87 -5.435 1.915 -10.007 1.00 0.00 C ATOM 0 H LEU A 87 -3.200 2.865 -10.667 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.318 0.553 -12.292 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.571 -0.375 -11.286 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.007 -0.489 -10.504 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.777 0.183 -8.933 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.691 2.134 -7.929 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.516 0.905 -8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.757 2.379 -9.424 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.828 2.419 -9.124 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.020 2.654 -10.692 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.239 1.372 -10.503 1.00 0.00 H new ATOM 1277 N ARG A 88 -3.752 0.996 -14.229 1.00 0.00 N ATOM 1278 CA ARG A 88 -4.583 1.317 -15.451 1.00 0.00 C ATOM 1279 C ARG A 88 -5.076 0.080 -16.140 1.00 0.00 C ATOM 1280 O ARG A 88 -4.357 -0.844 -16.297 1.00 0.00 O ATOM 1281 CB ARG A 88 -3.720 2.171 -16.459 1.00 0.00 C ATOM 1282 CG ARG A 88 -2.869 1.285 -17.458 1.00 0.00 C ATOM 1283 CD ARG A 88 -2.326 2.183 -18.560 1.00 0.00 C ATOM 1284 NE ARG A 88 -0.946 1.750 -18.915 1.00 0.00 N ATOM 1285 CZ ARG A 88 -0.142 2.551 -19.563 1.00 0.00 C ATOM 1286 NH1 ARG A 88 0.150 3.724 -19.073 1.00 0.00 N ATOM 1287 NH2 ARG A 88 0.383 2.166 -20.697 1.00 0.00 N ATOM 0 H ARG A 88 -2.928 0.422 -14.406 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.455 1.881 -15.121 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.381 2.821 -17.033 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.048 2.818 -15.895 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.050 0.798 -16.928 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.487 0.495 -17.884 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.972 2.133 -19.437 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.319 3.221 -18.228 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.625 0.819 -18.650 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.249 4.018 -18.182 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.778 4.347 -19.581 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.165 1.243 -21.073 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.011 2.788 -21.206 1.00 0.00 H new ATOM 1301 N THR A 89 -6.291 0.112 -16.631 1.00 0.00 N ATOM 1302 CA THR A 89 -6.834 -1.041 -17.402 1.00 0.00 C ATOM 1303 C THR A 89 -5.920 -1.254 -18.616 1.00 0.00 C ATOM 1304 O THR A 89 -5.956 -0.471 -19.559 1.00 0.00 O ATOM 1305 CB THR A 89 -8.273 -0.731 -17.883 1.00 0.00 C ATOM 1306 OG1 THR A 89 -8.260 0.081 -19.043 1.00 0.00 O ATOM 1307 CG2 THR A 89 -9.077 -0.014 -16.789 1.00 0.00 C ATOM 0 H THR A 89 -6.933 0.898 -16.527 1.00 0.00 H new ATOM 0 HA THR A 89 -6.867 -1.934 -16.778 1.00 0.00 H new ATOM 0 HB THR A 89 -8.744 -1.686 -18.115 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.354 0.422 -19.193 1.00 0.00 H new ATOM 0 HG21 THR A 89 -10.084 0.192 -17.153 1.00 0.00 H new ATOM 0 HG22 THR A 89 -9.134 -0.648 -15.904 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.585 0.924 -16.532 1.00 0.00 H new ATOM 1315 N LYS A 90 -5.090 -2.270 -18.597 1.00 0.00 N ATOM 1316 CA LYS A 90 -4.193 -2.487 -19.714 1.00 0.00 C ATOM 1317 C LYS A 90 -4.844 -3.492 -20.635 1.00 0.00 C ATOM 1318 O LYS A 90 -5.494 -4.434 -20.193 1.00 0.00 O ATOM 1319 CB LYS A 90 -2.820 -3.000 -19.275 1.00 0.00 C ATOM 1320 CG LYS A 90 -2.421 -2.537 -17.883 1.00 0.00 C ATOM 1321 CD LYS A 90 -1.326 -1.464 -18.022 1.00 0.00 C ATOM 1322 CE LYS A 90 0.028 -2.150 -18.263 1.00 0.00 C ATOM 1323 NZ LYS A 90 1.110 -1.129 -18.328 1.00 0.00 N ATOM 0 H LYS A 90 -5.014 -2.948 -17.839 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.022 -1.535 -20.216 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.822 -4.090 -19.301 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.069 -2.665 -19.991 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.285 -2.131 -17.356 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.055 -3.378 -17.294 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.560 -0.794 -18.849 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.282 -0.853 -17.120 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.234 -2.860 -17.462 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.003 -2.719 -19.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.852 -1.451 -18.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.717 -0.228 -18.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.518 -0.994 -17.381 1.00 0.00 H new ATOM 1434 N ASN A 99 -7.121 4.442 -17.486 1.00 0.00 N ATOM 1435 CA ASN A 99 -6.214 4.430 -16.265 1.00 0.00 C ATOM 1436 C ASN A 99 -6.908 4.904 -14.991 1.00 0.00 C ATOM 1437 O ASN A 99 -8.026 5.375 -14.992 1.00 0.00 O ATOM 1438 CB ASN A 99 -4.918 5.282 -16.505 1.00 0.00 C ATOM 1439 CG ASN A 99 -4.373 5.146 -17.954 1.00 0.00 C ATOM 1440 OD1 ASN A 99 -3.109 5.368 -18.165 1.00 0.00 O flip ATOM 1441 ND2 ASN A 99 -5.090 4.866 -18.885 1.00 0.00 N flip ATOM 0 HA ASN A 99 -5.941 3.385 -16.118 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.134 6.330 -16.299 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -4.147 4.970 -15.800 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -6.083 4.690 -18.729 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -4.703 4.805 -19.827 1.00 0.00 H new ATOM 1448 N VAL A 100 -6.208 4.743 -13.891 1.00 0.00 N ATOM 1449 CA VAL A 100 -6.719 5.121 -12.565 1.00 0.00 C ATOM 1450 C VAL A 100 -5.527 5.408 -11.671 1.00 0.00 C ATOM 1451 O VAL A 100 -4.521 4.694 -11.724 1.00 0.00 O ATOM 1452 CB VAL A 100 -7.441 3.933 -11.941 1.00 0.00 C ATOM 1453 CG1 VAL A 100 -8.160 4.382 -10.684 1.00 0.00 C ATOM 1454 CG2 VAL A 100 -8.452 3.333 -12.930 1.00 0.00 C ATOM 0 H VAL A 100 -5.268 4.348 -13.875 1.00 0.00 H new ATOM 0 HA VAL A 100 -7.386 5.978 -12.663 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.706 3.168 -11.691 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.677 3.533 -10.237 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.436 4.781 -9.974 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.885 5.156 -10.936 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.957 2.486 -12.465 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.188 4.090 -13.202 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -7.929 2.997 -13.826 1.00 0.00 H new ATOM 1464 N THR A 101 -5.653 6.366 -10.799 1.00 0.00 N ATOM 1465 CA THR A 101 -4.593 6.649 -9.834 1.00 0.00 C ATOM 1466 C THR A 101 -5.250 6.420 -8.512 1.00 0.00 C ATOM 1467 O THR A 101 -6.326 6.938 -8.262 1.00 0.00 O ATOM 1468 CB THR A 101 -4.091 8.086 -9.949 1.00 0.00 C ATOM 1469 OG1 THR A 101 -3.531 8.289 -11.240 1.00 0.00 O ATOM 1470 CG2 THR A 101 -3.024 8.338 -8.873 1.00 0.00 C ATOM 0 H THR A 101 -6.471 6.971 -10.724 1.00 0.00 H new ATOM 0 HA THR A 101 -3.714 6.024 -9.991 1.00 0.00 H new ATOM 0 HB THR A 101 -4.920 8.779 -9.805 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.806 7.647 -11.387 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.663 9.363 -8.952 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.459 8.181 -7.886 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.192 7.648 -9.017 1.00 0.00 H new ATOM 1478 N VAL A 102 -4.668 5.612 -7.702 1.00 0.00 N ATOM 1479 CA VAL A 102 -5.274 5.255 -6.421 1.00 0.00 C ATOM 1480 C VAL A 102 -4.386 5.780 -5.273 1.00 0.00 C ATOM 1481 O VAL A 102 -3.207 5.490 -5.198 1.00 0.00 O ATOM 1482 CB VAL A 102 -5.447 3.712 -6.472 1.00 0.00 C ATOM 1483 CG1 VAL A 102 -5.526 3.088 -5.073 1.00 0.00 C ATOM 1484 CG2 VAL A 102 -6.727 3.405 -7.234 1.00 0.00 C ATOM 0 H VAL A 102 -3.767 5.170 -7.883 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.248 5.708 -6.237 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.576 3.283 -6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -5.647 2.008 -5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.610 3.306 -4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -6.378 3.505 -4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -6.871 2.326 -7.284 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.574 3.861 -6.721 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -6.655 3.808 -8.244 1.00 0.00 H new ATOM 1494 N THR A 103 -4.982 6.582 -4.395 1.00 0.00 N ATOM 1495 CA THR A 103 -4.231 7.188 -3.247 1.00 0.00 C ATOM 1496 C THR A 103 -4.761 6.610 -1.946 1.00 0.00 C ATOM 1497 O THR A 103 -5.947 6.641 -1.707 1.00 0.00 O ATOM 1498 CB THR A 103 -4.422 8.714 -3.215 1.00 0.00 C ATOM 1499 OG1 THR A 103 -5.785 9.028 -3.412 1.00 0.00 O ATOM 1500 CG2 THR A 103 -3.574 9.382 -4.306 1.00 0.00 C ATOM 0 H THR A 103 -5.968 6.838 -4.436 1.00 0.00 H new ATOM 0 HA THR A 103 -3.172 6.962 -3.369 1.00 0.00 H new ATOM 0 HB THR A 103 -4.100 9.087 -2.243 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.022 8.882 -4.352 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.720 10.462 -4.270 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.521 9.153 -4.140 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.877 9.007 -5.283 1.00 0.00 H new ATOM 1508 N LYS A 104 -3.887 6.093 -1.095 1.00 0.00 N ATOM 1509 CA LYS A 104 -4.338 5.513 0.215 1.00 0.00 C ATOM 1510 C LYS A 104 -3.858 6.411 1.345 1.00 0.00 C ATOM 1511 O LYS A 104 -2.711 6.836 1.378 1.00 0.00 O ATOM 1512 CB LYS A 104 -3.753 4.088 0.369 1.00 0.00 C ATOM 1513 CG LYS A 104 -3.967 3.518 1.801 1.00 0.00 C ATOM 1514 CD LYS A 104 -5.080 2.472 1.788 1.00 0.00 C ATOM 1515 CE LYS A 104 -4.624 1.227 1.005 1.00 0.00 C ATOM 1516 NZ LYS A 104 -3.411 0.626 1.657 1.00 0.00 N ATOM 0 H LYS A 104 -2.881 6.051 -1.258 1.00 0.00 H new ATOM 0 HA LYS A 104 -5.426 5.452 0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.221 3.424 -0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.687 4.108 0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.042 3.071 2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.223 4.325 2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.341 2.194 2.809 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -5.978 2.890 1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.430 0.494 0.971 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.396 1.499 -0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -3.356 -0.386 1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.557 1.108 1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.480 0.739 2.689 1.00 0.00 H new ATOM 1530 N THR A 105 -4.739 6.670 2.278 1.00 0.00 N ATOM 1531 CA THR A 105 -4.394 7.514 3.460 1.00 0.00 C ATOM 1532 C THR A 105 -3.940 6.569 4.594 1.00 0.00 C ATOM 1533 O THR A 105 -3.318 5.546 4.326 1.00 0.00 O ATOM 1534 CB THR A 105 -5.635 8.317 3.882 1.00 0.00 C ATOM 1535 OG1 THR A 105 -6.641 7.422 4.297 1.00 0.00 O ATOM 1536 CG2 THR A 105 -6.141 9.175 2.708 1.00 0.00 C ATOM 0 H THR A 105 -5.699 6.326 2.269 1.00 0.00 H new ATOM 0 HA THR A 105 -3.595 8.217 3.227 1.00 0.00 H new ATOM 0 HB THR A 105 -5.374 8.982 4.705 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.978 7.694 5.176 1.00 0.00 H new ATOM 0 HG21 THR A 105 -7.020 9.738 3.021 1.00 0.00 H new ATOM 0 HG22 THR A 105 -5.358 9.867 2.399 1.00 0.00 H new ATOM 0 HG23 THR A 105 -6.404 8.528 1.871 1.00 0.00 H new ATOM 1544 N ASP A 106 -4.250 6.887 5.852 1.00 0.00 N ATOM 1545 CA ASP A 106 -3.847 5.999 6.978 1.00 0.00 C ATOM 1546 C ASP A 106 -5.001 5.048 7.319 1.00 0.00 C ATOM 1547 O ASP A 106 -4.786 4.007 7.925 1.00 0.00 O ATOM 1548 CB ASP A 106 -3.501 6.847 8.199 1.00 0.00 C ATOM 1549 CG ASP A 106 -2.904 5.951 9.285 1.00 0.00 C ATOM 1550 OD1 ASP A 106 -3.644 5.165 9.851 1.00 0.00 O ATOM 1551 OD2 ASP A 106 -1.712 6.068 9.532 1.00 0.00 O ATOM 0 H ASP A 106 -4.763 7.724 6.127 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.974 5.416 6.686 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -2.791 7.627 7.925 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.394 7.346 8.574 1.00 0.00 H new ATOM 1556 N LYS A 107 -6.241 5.398 6.934 1.00 0.00 N ATOM 1557 CA LYS A 107 -7.415 4.499 7.248 1.00 0.00 C ATOM 1558 C LYS A 107 -8.495 4.596 6.137 1.00 0.00 C ATOM 1559 O LYS A 107 -9.654 4.299 6.374 1.00 0.00 O ATOM 1560 CB LYS A 107 -8.032 4.879 8.622 1.00 0.00 C ATOM 1561 CG LYS A 107 -6.912 5.226 9.615 1.00 0.00 C ATOM 1562 CD LYS A 107 -7.510 5.654 10.957 1.00 0.00 C ATOM 1563 CE LYS A 107 -6.423 6.321 11.803 1.00 0.00 C ATOM 1564 NZ LYS A 107 -6.641 5.997 13.240 1.00 0.00 N ATOM 0 H LYS A 107 -6.473 6.252 6.427 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.055 3.471 7.292 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -8.705 5.729 8.507 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.627 4.051 9.006 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.262 4.363 9.757 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.294 6.028 9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.337 6.345 10.796 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.915 4.788 11.481 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.439 5.976 11.487 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.444 7.401 11.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.902 6.451 13.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -7.574 6.347 13.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -6.599 4.966 13.374 1.00 0.00 H new ATOM 1578 N THR A 108 -8.110 4.981 4.918 1.00 0.00 N ATOM 1579 CA THR A 108 -9.094 5.069 3.782 1.00 0.00 C ATOM 1580 C THR A 108 -8.379 4.584 2.501 1.00 0.00 C ATOM 1581 O THR A 108 -7.153 4.525 2.450 1.00 0.00 O ATOM 1582 CB THR A 108 -9.602 6.519 3.627 1.00 0.00 C ATOM 1583 OG1 THR A 108 -8.640 7.313 2.956 1.00 0.00 O ATOM 1584 CG2 THR A 108 -9.882 7.101 5.021 1.00 0.00 C ATOM 0 H THR A 108 -7.153 5.236 4.673 1.00 0.00 H new ATOM 0 HA THR A 108 -9.965 4.442 3.975 1.00 0.00 H new ATOM 0 HB THR A 108 -10.517 6.519 3.035 1.00 0.00 H new ATOM 0 HG1 THR A 108 -7.748 7.114 3.309 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.241 8.125 4.922 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.639 6.498 5.522 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.964 7.094 5.609 1.00 0.00 H new ATOM 1592 N LEU A 109 -9.132 4.217 1.500 1.00 0.00 N ATOM 1593 CA LEU A 109 -8.536 3.698 0.219 1.00 0.00 C ATOM 1594 C LEU A 109 -9.153 4.542 -0.934 1.00 0.00 C ATOM 1595 O LEU A 109 -10.151 4.144 -1.523 1.00 0.00 O ATOM 1596 CB LEU A 109 -8.980 2.206 0.095 1.00 0.00 C ATOM 1597 CG LEU A 109 -7.953 1.260 -0.605 1.00 0.00 C ATOM 1598 CD1 LEU A 109 -8.665 0.397 -1.633 1.00 0.00 C ATOM 1599 CD2 LEU A 109 -6.844 2.009 -1.287 1.00 0.00 C ATOM 0 H LEU A 109 -10.151 4.253 1.509 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.449 3.767 0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.182 1.820 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.919 2.168 -0.457 1.00 0.00 H new ATOM 0 HG LEU A 109 -7.508 0.645 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.944 -0.261 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.428 -0.204 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.135 1.035 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -6.161 1.301 -1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.264 2.667 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -6.301 2.604 -0.552 1.00 0.00 H new ATOM 1611 N VAL A 110 -8.581 5.720 -1.257 1.00 0.00 N ATOM 1612 CA VAL A 110 -9.176 6.560 -2.320 1.00 0.00 C ATOM 1613 C VAL A 110 -8.719 6.030 -3.650 1.00 0.00 C ATOM 1614 O VAL A 110 -7.581 5.627 -3.805 1.00 0.00 O ATOM 1615 CB VAL A 110 -8.731 8.068 -2.138 1.00 0.00 C ATOM 1616 CG1 VAL A 110 -8.750 8.814 -3.480 1.00 0.00 C ATOM 1617 CG2 VAL A 110 -9.705 8.791 -1.193 1.00 0.00 C ATOM 0 H VAL A 110 -7.742 6.101 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.264 6.524 -2.263 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.720 8.064 -1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.440 9.848 -3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.065 8.329 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.759 8.795 -3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -9.392 9.828 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.710 8.761 -1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.704 8.297 -0.222 1.00 0.00 H new ATOM 1627 N LEU A 111 -9.588 6.093 -4.615 1.00 0.00 N ATOM 1628 CA LEU A 111 -9.243 5.682 -5.976 1.00 0.00 C ATOM 1629 C LEU A 111 -9.639 6.833 -6.886 1.00 0.00 C ATOM 1630 O LEU A 111 -10.508 7.639 -6.549 1.00 0.00 O ATOM 1631 CB LEU A 111 -9.992 4.392 -6.418 1.00 0.00 C ATOM 1632 CG LEU A 111 -10.039 3.329 -5.293 1.00 0.00 C ATOM 1633 CD1 LEU A 111 -10.750 2.061 -5.806 1.00 0.00 C ATOM 1634 CD2 LEU A 111 -8.648 2.946 -4.846 1.00 0.00 C ATOM 0 H LEU A 111 -10.546 6.423 -4.502 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.178 5.454 -6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.009 4.648 -6.716 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.500 3.970 -7.294 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.580 3.759 -4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.781 1.315 -5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.767 2.311 -6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.205 1.659 -6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.713 2.198 -4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.095 2.535 -5.690 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -8.131 3.828 -4.469 1.00 0.00 H new ATOM 1646 N LEU A 112 -9.022 6.925 -8.014 1.00 0.00 N ATOM 1647 CA LEU A 112 -9.340 7.999 -8.969 1.00 0.00 C ATOM 1648 C LEU A 112 -9.439 7.372 -10.305 1.00 0.00 C ATOM 1649 O LEU A 112 -8.439 7.122 -10.960 1.00 0.00 O ATOM 1650 CB LEU A 112 -8.207 9.031 -8.989 1.00 0.00 C ATOM 1651 CG LEU A 112 -8.608 10.410 -9.619 1.00 0.00 C ATOM 1652 CD1 LEU A 112 -9.651 10.282 -10.766 1.00 0.00 C ATOM 1653 CD2 LEU A 112 -9.155 11.301 -8.525 1.00 0.00 C ATOM 0 H LEU A 112 -8.291 6.284 -8.322 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.267 8.500 -8.690 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.863 9.196 -7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.365 8.620 -9.547 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.712 10.840 -10.066 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.885 11.272 -11.158 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.240 9.664 -11.564 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.560 9.820 -10.381 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.438 12.265 -8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.030 10.831 -8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.391 11.451 -7.762 1.00 0.00 H new ATOM 1665 N MET A 113 -10.604 7.121 -10.750 1.00 0.00 N ATOM 1666 CA MET A 113 -10.722 6.512 -12.083 1.00 0.00 C ATOM 1667 C MET A 113 -10.828 7.600 -13.073 1.00 0.00 C ATOM 1668 O MET A 113 -11.352 8.668 -12.775 1.00 0.00 O ATOM 1669 CB MET A 113 -11.916 5.613 -12.176 1.00 0.00 C ATOM 1670 CG MET A 113 -11.627 4.532 -13.207 1.00 0.00 C ATOM 1671 SD MET A 113 -13.172 3.915 -13.904 1.00 0.00 S ATOM 1672 CE MET A 113 -12.574 2.257 -14.312 1.00 0.00 C ATOM 0 H MET A 113 -11.481 7.305 -10.262 1.00 0.00 H new ATOM 0 HA MET A 113 -9.843 5.897 -12.276 1.00 0.00 H new ATOM 0 HB2 MET A 113 -12.129 5.164 -11.206 1.00 0.00 H new ATOM 0 HB3 MET A 113 -12.799 6.184 -12.463 1.00 0.00 H new ATOM 0 HG2 MET A 113 -10.996 4.933 -14.000 1.00 0.00 H new ATOM 0 HG3 MET A 113 -11.075 3.714 -12.744 1.00 0.00 H new ATOM 0 HE1 MET A 113 -13.341 1.523 -14.066 1.00 0.00 H new ATOM 0 HE2 MET A 113 -12.349 2.203 -15.377 1.00 0.00 H new ATOM 0 HE3 MET A 113 -11.671 2.045 -13.739 1.00 0.00 H new ATOM 1682 N GLY A 114 -10.309 7.364 -14.244 1.00 0.00 N ATOM 1683 CA GLY A 114 -10.353 8.400 -15.295 1.00 0.00 C ATOM 1684 C GLY A 114 -9.748 7.934 -16.535 1.00 0.00 C ATOM 1685 O GLY A 114 -8.511 7.608 -16.576 1.00 0.00 O ATOM 0 H GLY A 114 -9.855 6.491 -14.514 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -11.388 8.687 -15.480 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.832 9.292 -14.949 1.00 0.00 H new ATOM 1773 N GLY A 121 -1.141 10.850 -15.463 1.00 0.00 N ATOM 1774 CA GLY A 121 -0.441 11.894 -14.611 1.00 0.00 C ATOM 1775 C GLY A 121 -1.432 12.981 -14.148 1.00 0.00 C ATOM 1776 O GLY A 121 -1.245 13.600 -13.109 1.00 0.00 O ATOM 0 HA2 GLY A 121 0.012 11.416 -13.743 1.00 0.00 H new ATOM 0 HA3 GLY A 121 0.367 12.352 -15.181 1.00 0.00 H new ATOM 1780 N LEU A 122 -2.479 13.212 -14.920 1.00 0.00 N ATOM 1781 CA LEU A 122 -3.515 14.264 -14.561 1.00 0.00 C ATOM 1782 C LEU A 122 -4.407 13.694 -13.522 1.00 0.00 C ATOM 1783 O LEU A 122 -4.777 14.363 -12.597 1.00 0.00 O ATOM 1784 CB LEU A 122 -4.371 14.627 -15.783 1.00 0.00 C ATOM 1785 CG LEU A 122 -3.517 14.699 -17.065 1.00 0.00 C ATOM 1786 CD1 LEU A 122 -4.209 13.903 -18.179 1.00 0.00 C ATOM 1787 CD2 LEU A 122 -3.359 16.165 -17.483 1.00 0.00 C ATOM 0 H LEU A 122 -2.666 12.715 -15.791 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.006 15.161 -14.207 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -5.160 13.885 -15.910 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -4.860 15.587 -15.615 1.00 0.00 H new ATOM 0 HG LEU A 122 -2.531 14.272 -16.882 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -3.609 13.951 -19.087 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -4.317 12.863 -17.870 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.194 14.328 -18.372 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.756 16.222 -18.389 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.341 16.597 -17.673 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.867 16.720 -16.684 1.00 0.00 H new ATOM 1799 N ILE A 123 -4.733 12.445 -13.661 1.00 0.00 N ATOM 1800 CA ILE A 123 -5.579 11.763 -12.658 1.00 0.00 C ATOM 1801 C ILE A 123 -4.717 11.591 -11.413 1.00 0.00 C ATOM 1802 O ILE A 123 -5.204 11.674 -10.308 1.00 0.00 O ATOM 1803 CB ILE A 123 -5.999 10.444 -13.248 1.00 0.00 C ATOM 1804 CG1 ILE A 123 -7.091 10.711 -14.299 1.00 0.00 C ATOM 1805 CG2 ILE A 123 -6.533 9.462 -12.173 1.00 0.00 C ATOM 1806 CD1 ILE A 123 -7.339 9.452 -15.069 1.00 0.00 C ATOM 0 H ILE A 123 -4.442 11.859 -14.443 1.00 0.00 H new ATOM 0 HA ILE A 123 -6.479 12.317 -12.392 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.126 9.974 -13.701 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -8.009 11.043 -13.813 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -6.779 11.510 -14.972 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -6.823 8.525 -12.648 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -5.753 9.269 -11.437 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.399 9.901 -11.677 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -8.112 9.629 -15.817 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -6.419 9.141 -15.564 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -7.667 8.667 -14.387 1.00 0.00 H new ATOM 1818 N ASN A 124 -3.406 11.407 -11.607 1.00 0.00 N ATOM 1819 CA ASN A 124 -2.471 11.305 -10.453 1.00 0.00 C ATOM 1820 C ASN A 124 -2.489 12.655 -9.731 1.00 0.00 C ATOM 1821 O ASN A 124 -2.254 12.740 -8.532 1.00 0.00 O ATOM 1822 CB ASN A 124 -1.057 11.012 -10.965 1.00 0.00 C ATOM 1823 CG ASN A 124 -0.115 10.740 -9.785 1.00 0.00 C ATOM 1824 OD1 ASN A 124 -0.174 11.414 -8.775 1.00 0.00 O ATOM 1825 ND2 ASN A 124 0.760 9.774 -9.876 1.00 0.00 N ATOM 0 H ASN A 124 -2.965 11.326 -12.523 1.00 0.00 H new ATOM 0 HA ASN A 124 -2.770 10.503 -9.779 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -1.075 10.150 -11.632 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -0.690 11.858 -11.546 1.00 0.00 H new ATOM 0 HD21 ASN A 124 1.394 9.585 -9.099 1.00 0.00 H new ATOM 0 HD22 ASN A 124 0.809 9.209 -10.724 1.00 0.00 H new ATOM 1832 N LYS A 125 -2.796 13.719 -10.475 1.00 0.00 N ATOM 1833 CA LYS A 125 -2.863 15.102 -9.867 1.00 0.00 C ATOM 1834 C LYS A 125 -4.205 15.253 -9.114 1.00 0.00 C ATOM 1835 O LYS A 125 -4.271 15.834 -8.033 1.00 0.00 O ATOM 1836 CB LYS A 125 -2.796 16.157 -11.002 1.00 0.00 C ATOM 1837 CG LYS A 125 -1.354 16.346 -11.468 1.00 0.00 C ATOM 1838 CD LYS A 125 -0.747 17.586 -10.796 1.00 0.00 C ATOM 1839 CE LYS A 125 0.055 18.391 -11.828 1.00 0.00 C ATOM 1840 NZ LYS A 125 1.300 17.645 -12.202 1.00 0.00 N ATOM 0 H LYS A 125 -3.001 13.682 -11.473 1.00 0.00 H new ATOM 0 HA LYS A 125 -2.031 15.248 -9.178 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.417 15.839 -11.840 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -3.198 17.107 -10.649 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.764 15.463 -11.222 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.324 16.458 -12.552 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.537 18.205 -10.371 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -0.100 17.285 -9.972 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -0.553 18.569 -12.715 1.00 0.00 H new ATOM 0 HE3 LYS A 125 0.315 19.367 -11.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 1.847 18.204 -12.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 1.876 17.482 -11.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 1.043 16.731 -12.626 1.00 0.00 H new ATOM 1854 N LYS A 126 -5.275 14.730 -9.697 1.00 0.00 N ATOM 1855 CA LYS A 126 -6.640 14.828 -9.067 1.00 0.00 C ATOM 1856 C LYS A 126 -6.836 13.738 -7.992 1.00 0.00 C ATOM 1857 O LYS A 126 -7.776 13.797 -7.214 1.00 0.00 O ATOM 1858 CB LYS A 126 -7.692 14.692 -10.150 1.00 0.00 C ATOM 1859 CG LYS A 126 -7.917 16.066 -10.797 1.00 0.00 C ATOM 1860 CD LYS A 126 -7.017 16.212 -12.023 1.00 0.00 C ATOM 1861 CE LYS A 126 -7.463 15.226 -13.108 1.00 0.00 C ATOM 1862 NZ LYS A 126 -7.061 15.747 -14.447 1.00 0.00 N ATOM 0 H LYS A 126 -5.255 14.237 -10.589 1.00 0.00 H new ATOM 0 HA LYS A 126 -6.736 15.797 -8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -7.370 13.970 -10.900 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -8.624 14.317 -9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -8.962 16.176 -11.086 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -7.700 16.857 -10.079 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -7.065 17.233 -12.403 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -5.979 16.022 -11.749 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -7.011 14.249 -12.935 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -8.544 15.089 -13.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -6.849 14.950 -15.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -7.838 16.310 -14.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -6.216 16.345 -14.347 1.00 0.00 H new ATOM 1876 N CYS A 127 -5.919 12.787 -7.908 1.00 0.00 N ATOM 1877 CA CYS A 127 -5.984 11.722 -6.836 1.00 0.00 C ATOM 1878 C CYS A 127 -5.223 12.269 -5.656 1.00 0.00 C ATOM 1879 O CYS A 127 -5.559 12.035 -4.521 1.00 0.00 O ATOM 1880 CB CYS A 127 -5.307 10.436 -7.300 1.00 0.00 C ATOM 1881 SG CYS A 127 -5.928 9.048 -6.320 1.00 0.00 S ATOM 0 H CYS A 127 -5.123 12.703 -8.541 1.00 0.00 H new ATOM 0 HA CYS A 127 -7.021 11.488 -6.596 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -5.507 10.267 -8.358 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.226 10.520 -7.189 1.00 0.00 H new ATOM 0 HG CYS A 127 -6.286 8.082 -7.113 1.00 0.00 H new ATOM 1887 N TYR A 128 -4.196 13.032 -5.955 1.00 0.00 N ATOM 1888 CA TYR A 128 -3.372 13.684 -4.930 1.00 0.00 C ATOM 1889 C TYR A 128 -4.269 14.709 -4.202 1.00 0.00 C ATOM 1890 O TYR A 128 -4.128 14.941 -3.010 1.00 0.00 O ATOM 1891 CB TYR A 128 -2.235 14.394 -5.703 1.00 0.00 C ATOM 1892 CG TYR A 128 -0.983 14.643 -4.895 1.00 0.00 C ATOM 1893 CD1 TYR A 128 -0.729 14.001 -3.665 1.00 0.00 C ATOM 1894 CD2 TYR A 128 -0.056 15.543 -5.416 1.00 0.00 C ATOM 1895 CE1 TYR A 128 0.453 14.275 -2.970 1.00 0.00 C ATOM 1896 CE2 TYR A 128 1.127 15.816 -4.720 1.00 0.00 C ATOM 1897 CZ TYR A 128 1.381 15.184 -3.497 1.00 0.00 C ATOM 1898 OH TYR A 128 2.549 15.453 -2.813 1.00 0.00 O ATOM 0 H TYR A 128 -3.898 13.226 -6.911 1.00 0.00 H new ATOM 0 HA TYR A 128 -2.959 12.996 -4.193 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -1.975 13.792 -6.574 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -2.607 15.349 -6.074 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -1.445 13.300 -3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -0.251 16.031 -6.359 1.00 0.00 H new ATOM 0 HE1 TYR A 128 0.651 13.786 -2.027 1.00 0.00 H new ATOM 0 HE2 TYR A 128 1.844 16.514 -5.126 1.00 0.00 H new ATOM 0 HH TYR A 128 3.081 16.104 -3.317 1.00 0.00 H new ATOM 1908 N GLU A 129 -5.214 15.312 -4.941 1.00 0.00 N ATOM 1909 CA GLU A 129 -6.162 16.326 -4.330 1.00 0.00 C ATOM 1910 C GLU A 129 -7.321 15.594 -3.614 1.00 0.00 C ATOM 1911 O GLU A 129 -7.749 15.982 -2.524 1.00 0.00 O ATOM 1912 CB GLU A 129 -6.737 17.214 -5.440 1.00 0.00 C ATOM 1913 CG GLU A 129 -5.592 17.827 -6.264 1.00 0.00 C ATOM 1914 CD GLU A 129 -5.409 19.301 -5.886 1.00 0.00 C ATOM 1915 OE1 GLU A 129 -4.685 19.564 -4.940 1.00 0.00 O ATOM 1916 OE2 GLU A 129 -5.996 20.139 -6.550 1.00 0.00 O ATOM 0 H GLU A 129 -5.360 15.139 -5.936 1.00 0.00 H new ATOM 0 HA GLU A 129 -5.620 16.937 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -7.389 16.627 -6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -7.348 18.005 -5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -4.668 17.279 -6.083 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.811 17.740 -7.328 1.00 0.00 H new ATOM 1923 N MET A 130 -7.821 14.528 -4.216 1.00 0.00 N ATOM 1924 CA MET A 130 -8.949 13.732 -3.599 1.00 0.00 C ATOM 1925 C MET A 130 -8.472 13.270 -2.183 1.00 0.00 C ATOM 1926 O MET A 130 -9.171 13.410 -1.164 1.00 0.00 O ATOM 1927 CB MET A 130 -9.215 12.505 -4.524 1.00 0.00 C ATOM 1928 CG MET A 130 -10.700 12.090 -4.492 1.00 0.00 C ATOM 1929 SD MET A 130 -10.883 10.430 -5.174 1.00 0.00 S ATOM 1930 CE MET A 130 -12.655 10.258 -4.860 1.00 0.00 C ATOM 0 H MET A 130 -7.494 14.173 -5.114 1.00 0.00 H new ATOM 0 HA MET A 130 -9.867 14.311 -3.499 1.00 0.00 H new ATOM 0 HB2 MET A 130 -8.925 12.748 -5.546 1.00 0.00 H new ATOM 0 HB3 MET A 130 -8.594 11.667 -4.207 1.00 0.00 H new ATOM 0 HG2 MET A 130 -11.073 12.116 -3.468 1.00 0.00 H new ATOM 0 HG3 MET A 130 -11.298 12.798 -5.067 1.00 0.00 H new ATOM 0 HE1 MET A 130 -12.898 9.206 -4.710 1.00 0.00 H new ATOM 0 HE2 MET A 130 -12.923 10.823 -3.967 1.00 0.00 H new ATOM 0 HE3 MET A 130 -13.215 10.641 -5.713 1.00 0.00 H new ATOM 1940 N ALA A 131 -7.257 12.765 -2.131 1.00 0.00 N ATOM 1941 CA ALA A 131 -6.645 12.310 -0.847 1.00 0.00 C ATOM 1942 C ALA A 131 -6.139 13.509 -0.064 1.00 0.00 C ATOM 1943 O ALA A 131 -5.936 13.409 1.128 1.00 0.00 O ATOM 1944 CB ALA A 131 -5.477 11.371 -1.147 1.00 0.00 C ATOM 0 H ALA A 131 -6.655 12.649 -2.946 1.00 0.00 H new ATOM 0 HA ALA A 131 -7.396 11.786 -0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.029 11.038 -0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.839 10.507 -1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.729 11.898 -1.740 1.00 0.00 H new ATOM 1950 N SER A 132 -5.945 14.662 -0.718 1.00 0.00 N ATOM 1951 CA SER A 132 -5.475 15.878 0.026 1.00 0.00 C ATOM 1952 C SER A 132 -6.517 16.188 1.093 1.00 0.00 C ATOM 1953 O SER A 132 -6.181 16.633 2.186 1.00 0.00 O ATOM 1954 CB SER A 132 -5.288 17.076 -0.937 1.00 0.00 C ATOM 1955 OG SER A 132 -6.547 17.673 -1.250 1.00 0.00 O ATOM 0 H SER A 132 -6.094 14.796 -1.718 1.00 0.00 H new ATOM 0 HA SER A 132 -4.505 15.693 0.488 1.00 0.00 H new ATOM 0 HB2 SER A 132 -4.632 17.817 -0.480 1.00 0.00 H new ATOM 0 HB3 SER A 132 -4.801 16.740 -1.853 1.00 0.00 H new ATOM 0 HG SER A 132 -7.203 16.971 -1.443 1.00 0.00 H new ATOM 1961 N HIS A 133 -7.798 15.911 0.791 1.00 0.00 N ATOM 1962 CA HIS A 133 -8.860 16.143 1.812 1.00 0.00 C ATOM 1963 C HIS A 133 -8.842 15.002 2.773 1.00 0.00 C ATOM 1964 O HIS A 133 -8.977 15.212 3.958 1.00 0.00 O ATOM 1965 CB HIS A 133 -10.253 16.249 1.215 1.00 0.00 C ATOM 1966 CG HIS A 133 -11.130 16.861 2.263 1.00 0.00 C ATOM 1967 ND1 HIS A 133 -11.073 18.210 2.575 1.00 0.00 N ATOM 1968 CD2 HIS A 133 -12.068 16.318 3.104 1.00 0.00 C ATOM 1969 CE1 HIS A 133 -11.952 18.433 3.571 1.00 0.00 C ATOM 1970 NE2 HIS A 133 -12.585 17.311 3.932 1.00 0.00 N ATOM 0 H HIS A 133 -8.123 15.544 -0.103 1.00 0.00 H new ATOM 0 HA HIS A 133 -8.644 17.095 2.297 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -10.241 16.863 0.314 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -10.625 15.266 0.926 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -12.361 15.279 3.121 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -12.125 19.399 4.023 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -13.294 17.206 4.658 1.00 0.00 H new ATOM 1978 N LEU A 134 -8.669 13.764 2.283 1.00 0.00 N ATOM 1979 CA LEU A 134 -8.633 12.593 3.227 1.00 0.00 C ATOM 1980 C LEU A 134 -7.379 12.634 4.104 1.00 0.00 C ATOM 1981 O LEU A 134 -7.287 11.919 5.096 1.00 0.00 O ATOM 1982 CB LEU A 134 -8.700 11.310 2.431 1.00 0.00 C ATOM 1983 CG LEU A 134 -10.139 11.133 1.927 1.00 0.00 C ATOM 1984 CD1 LEU A 134 -10.227 11.461 0.446 1.00 0.00 C ATOM 1985 CD2 LEU A 134 -10.597 9.696 2.166 1.00 0.00 C ATOM 0 H LEU A 134 -8.556 13.535 1.296 1.00 0.00 H new ATOM 0 HA LEU A 134 -9.494 12.643 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -8.005 11.346 1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -8.407 10.462 3.051 1.00 0.00 H new ATOM 0 HG LEU A 134 -10.788 11.816 2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -11.254 11.330 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -9.919 12.494 0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -9.571 10.794 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -11.619 9.575 1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -9.940 9.011 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -10.559 9.475 3.233 1.00 0.00 H new ATOM 1997 N ARG A 135 -6.455 13.507 3.786 1.00 0.00 N ATOM 1998 CA ARG A 135 -5.232 13.682 4.628 1.00 0.00 C ATOM 1999 C ARG A 135 -5.572 14.770 5.624 1.00 0.00 C ATOM 2000 O ARG A 135 -5.255 14.676 6.803 1.00 0.00 O ATOM 2001 CB ARG A 135 -4.039 14.093 3.761 1.00 0.00 C ATOM 2002 CG ARG A 135 -3.316 12.841 3.268 1.00 0.00 C ATOM 2003 CD ARG A 135 -1.895 13.204 2.842 1.00 0.00 C ATOM 2004 NE ARG A 135 -1.038 13.357 4.053 1.00 0.00 N ATOM 2005 CZ ARG A 135 -0.215 14.364 4.144 1.00 0.00 C ATOM 2006 NH1 ARG A 135 -0.670 15.585 4.073 1.00 0.00 N ATOM 2007 NH2 ARG A 135 1.063 14.152 4.314 1.00 0.00 N ATOM 0 H ARG A 135 -6.498 14.114 2.967 1.00 0.00 H new ATOM 0 HA ARG A 135 -4.952 12.756 5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -4.379 14.688 2.913 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -3.356 14.719 4.336 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -3.289 12.090 4.057 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -3.857 12.403 2.429 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -1.489 12.429 2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -1.901 14.131 2.268 1.00 0.00 H new ATOM 0 HE ARG A 135 -1.096 12.675 4.809 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -1.668 15.751 3.946 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -0.027 16.374 4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 135 1.418 13.198 4.376 1.00 0.00 H new ATOM 0 HH22 ARG A 135 1.706 14.941 4.385 1.00 0.00 H new ATOM 2021 N ARG A 136 -6.305 15.780 5.155 1.00 0.00 N ATOM 2022 CA ARG A 136 -6.782 16.860 6.055 1.00 0.00 C ATOM 2023 C ARG A 136 -8.044 16.351 6.797 1.00 0.00 C ATOM 2024 O ARG A 136 -8.595 17.038 7.643 1.00 0.00 O ATOM 2025 CB ARG A 136 -7.141 18.092 5.227 1.00 0.00 C ATOM 2026 CG ARG A 136 -5.874 18.887 4.905 1.00 0.00 C ATOM 2027 CD ARG A 136 -6.034 19.564 3.543 1.00 0.00 C ATOM 2028 NE ARG A 136 -4.978 20.602 3.375 1.00 0.00 N ATOM 2029 CZ ARG A 136 -5.314 21.836 3.105 1.00 0.00 C ATOM 2030 NH1 ARG A 136 -5.816 22.139 1.937 1.00 0.00 N ATOM 2031 NH2 ARG A 136 -5.141 22.770 4.000 1.00 0.00 N ATOM 0 H ARG A 136 -6.583 15.884 4.179 1.00 0.00 H new ATOM 0 HA ARG A 136 -6.004 17.126 6.771 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -7.636 17.790 4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -7.845 18.718 5.776 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -5.694 19.635 5.677 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -5.008 18.225 4.895 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -5.961 18.824 2.746 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -7.021 20.019 3.465 1.00 0.00 H new ATOM 0 HE ARG A 136 -3.994 20.350 3.471 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -5.946 21.412 1.234 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -6.077 23.103 1.729 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -4.744 22.537 4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -5.403 23.733 3.789 1.00 0.00 H new ATOM 2045 N SER A 137 -8.489 15.129 6.471 1.00 0.00 N ATOM 2046 CA SER A 137 -9.680 14.530 7.116 1.00 0.00 C ATOM 2047 C SER A 137 -9.249 13.847 8.432 1.00 0.00 C ATOM 2048 O SER A 137 -10.079 13.549 9.278 1.00 0.00 O ATOM 2049 CB SER A 137 -10.304 13.491 6.142 1.00 0.00 C ATOM 2050 OG SER A 137 -9.510 12.308 6.114 1.00 0.00 O ATOM 0 H SER A 137 -8.049 14.534 5.769 1.00 0.00 H new ATOM 0 HA SER A 137 -10.421 15.297 7.344 1.00 0.00 H new ATOM 0 HB2 SER A 137 -11.319 13.250 6.457 1.00 0.00 H new ATOM 0 HB3 SER A 137 -10.373 13.916 5.141 1.00 0.00 H new ATOM 0 HG SER A 137 -8.562 12.549 6.168 1.00 0.00 H new ATOM 2056 N GLN A 138 -7.935 13.587 8.597 1.00 0.00 N ATOM 2057 CA GLN A 138 -7.427 12.915 9.844 1.00 0.00 C ATOM 2058 C GLN A 138 -7.955 11.475 9.888 1.00 0.00 C ATOM 2059 O GLN A 138 -8.146 10.895 10.954 1.00 0.00 O ATOM 2060 CB GLN A 138 -7.888 13.700 11.090 1.00 0.00 C ATOM 2061 CG GLN A 138 -7.455 15.163 10.958 1.00 0.00 C ATOM 2062 CD GLN A 138 -5.998 15.309 11.405 1.00 0.00 C ATOM 2063 OE1 GLN A 138 -5.724 15.468 12.578 1.00 0.00 O ATOM 2064 NE2 GLN A 138 -5.045 15.262 10.513 1.00 0.00 N ATOM 0 H GLN A 138 -7.214 13.818 7.914 1.00 0.00 H new ATOM 0 HA GLN A 138 -6.337 12.896 9.836 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -8.971 13.638 11.192 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -7.457 13.261 11.990 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -7.564 15.493 9.925 1.00 0.00 H new ATOM 0 HG3 GLN A 138 -8.098 15.800 11.566 1.00 0.00 H new ATOM 0 HE21 GLN A 138 -5.274 15.129 9.528 1.00 0.00 H new ATOM 0 HE22 GLN A 138 -4.071 15.359 10.801 1.00 0.00 H new ATOM 2073 N TYR A 139 -8.182 10.891 8.716 1.00 0.00 N ATOM 2074 CA TYR A 139 -8.688 9.486 8.633 1.00 0.00 C ATOM 2075 C TYR A 139 -7.514 8.553 8.256 1.00 0.00 C ATOM 2076 O TYR A 139 -7.757 7.531 7.630 1.00 0.00 O ATOM 2077 CB TYR A 139 -9.791 9.411 7.560 1.00 0.00 C ATOM 2078 CG TYR A 139 -11.145 9.622 8.202 1.00 0.00 C ATOM 2079 CD1 TYR A 139 -11.561 8.794 9.253 1.00 0.00 C ATOM 2080 CD2 TYR A 139 -11.990 10.637 7.737 1.00 0.00 C ATOM 2081 CE1 TYR A 139 -12.818 8.985 9.838 1.00 0.00 C ATOM 2082 CE2 TYR A 139 -13.246 10.827 8.323 1.00 0.00 C ATOM 2083 CZ TYR A 139 -13.660 10.000 9.372 1.00 0.00 C ATOM 2084 OH TYR A 139 -14.898 10.185 9.946 1.00 0.00 O ATOM 2085 OXT TYR A 139 -6.391 8.882 8.606 1.00 0.00 O ATOM 0 H TYR A 139 -8.033 11.342 7.813 1.00 0.00 H new ATOM 0 HA TYR A 139 -9.102 9.175 9.592 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -9.619 10.168 6.795 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -9.761 8.442 7.062 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -10.912 8.009 9.612 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -11.672 11.274 6.925 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -13.138 8.348 10.650 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -13.896 11.612 7.965 1.00 0.00 H new ATOM 0 HH TYR A 139 -15.354 10.932 9.506 1.00 0.00 H new