USER MOD reduce.3.24.130724 H: found=0, std=0, add=1241, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1243 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 72 SER OG : rot -42:sc= -0.0272 USER MOD Set 1.2: A 76 CYS SG : rot -140:sc= -0.135 USER MOD Set 1.3: B 6 DT C7 :methyl 150:sc= -5.25! (180deg=-5.12!) USER MOD Set 2.1: A 58 LYS NZ :NH3+ -177:sc= 0.169 (180deg=0.162) USER MOD Set 2.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: C 22 DT C7 :methyl -30:sc= -4.54! (180deg=-5.31!) USER MOD Set 3.1: A 71 THR OG1 : rot -44:sc= 0.914 USER MOD Set 3.2: C 21 DT C7 :methyl -30:sc= -3.71! (180deg=-5.15!) USER MOD Set 4.1: A 56 GLN :FLIP amide:sc= -0.356 F(o=-3.8!,f=-0.67) USER MOD Set 4.2: A 59 HIS :FLIP no HD1:sc= -0.318 F(o=-1.2,f=-0.67) USER MOD Set 5.1: A 31 LYS NZ :NH3+ -158:sc= -0.129 (180deg=-0.532) USER MOD Set 5.2: A 32 GLN :FLIP amide:sc= 0 F(o=-2.7,f=-0.13) USER MOD Set 6.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 16 LYS NZ :NH3+ 173:sc= 1.34 (180deg=1.24) USER MOD Single : A 1 ARG N :NH3+ -161:sc= 1.11 (180deg=0.335) USER MOD Single : A 5 GLN : amide:sc= 1.24 K(o=1.2,f=-7.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.0103 USER MOD Single : A 15 MET CE :methyl 167:sc= -1.16 (180deg=-1.42) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 70:sc= 0.188 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0763 K(o=-0.076,f=-2.7!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 150:sc= -0.049 (180deg=-1.02) USER MOD Single : A 40 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.12) USER MOD Single : A 43 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.15) USER MOD Single : A 44 LYS NZ :NH3+ -151:sc= 0.546 (180deg=-0.781!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 90:sc= 0.56 USER MOD Single : A 52 THR OG1 : rot 79:sc= 0.613 USER MOD Single : A 61 TYR OH : rot 180:sc= 0.912 USER MOD Single : A 67 ASN : amide:sc= -3.6! C(o=-3.6!,f=-6.7!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 81:sc= 1.54 USER MOD Single : A 80 HIS : no HD1:sc= -2.09! C(o=-2.1!,f=-5.5!) USER MOD Single : A 81 TYR OH : rot 16:sc= 1.13 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -161:sc= 1.28 (180deg=0.996) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -119:sc= -1.31 (180deg=-1.68) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DT C7 :methyl 150:sc= -6.98! (180deg=-6.98!) USER MOD Single : B 13 DT C7 :methyl -30:sc= -3.77! (180deg=-5.11!) USER MOD Single : B 15 DG O3' : rot 180:sc= 0 USER MOD Single : C 24 DT C7 :methyl -30:sc= -3.84! (180deg=-5.08!) USER MOD Single : C 26 DT C7 :methyl -30:sc= -3.88! (180deg=-5.15!) USER MOD Single : C 27 DT C7 :methyl -30:sc= -4.18! (180deg=-5.03!) USER MOD Single : C 29 DT C7 :methyl -30:sc= -3.72! (180deg=-5.04!) USER MOD Single : C 29 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -14.673 11.170 9.445 1.00 1.75 N ATOM 2 CA ARG A 1 -14.895 9.718 9.697 1.00 1.74 C ATOM 3 C ARG A 1 -16.203 9.195 9.098 1.00 1.77 C ATOM 4 O ARG A 1 -16.201 8.292 8.251 1.00 1.74 O ATOM 5 CB ARG A 1 -14.738 9.393 11.202 1.00 1.77 C ATOM 6 CG ARG A 1 -14.751 7.889 11.541 1.00 1.77 C ATOM 7 CD ARG A 1 -16.131 7.395 12.000 1.00 1.83 C ATOM 8 NE ARG A 1 -16.139 5.937 12.197 1.00 1.84 N ATOM 9 CZ ARG A 1 -15.847 5.248 13.279 1.00 1.86 C ATOM 10 NH1 ARG A 1 -15.485 5.804 14.399 1.00 1.89 N ATOM 11 NH2 ARG A 1 -15.926 3.953 13.226 1.00 1.87 N ATOM 0 H1 ARG A 1 -13.666 11.395 9.577 1.00 1.75 H new ATOM 0 H2 ARG A 1 -14.955 11.400 8.471 1.00 1.75 H new ATOM 0 H3 ARG A 1 -15.243 11.729 10.112 1.00 1.75 H new ATOM 0 HA ARG A 1 -14.115 9.173 9.165 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -13.802 9.823 11.557 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -15.542 9.882 11.751 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -14.440 7.321 10.664 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -14.020 7.691 12.325 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -16.406 7.891 12.931 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -16.882 7.668 11.259 1.00 1.83 H new ATOM 0 HE ARG A 1 -16.408 5.385 11.383 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -15.417 6.820 14.466 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -15.269 5.224 15.210 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -16.209 3.494 12.360 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -15.705 3.394 14.050 1.00 1.87 H new ATOM 27 N ALA A 2 -17.339 9.727 9.564 1.00 1.84 N ATOM 28 CA ALA A 2 -18.654 9.163 9.247 1.00 1.89 C ATOM 29 C ALA A 2 -19.022 9.256 7.757 1.00 1.88 C ATOM 30 O ALA A 2 -19.594 8.319 7.203 1.00 1.89 O ATOM 31 CB ALA A 2 -19.702 9.854 10.126 1.00 1.97 C ATOM 0 H ALA A 2 -17.372 10.551 10.164 1.00 1.84 H new ATOM 0 HA ALA A 2 -18.623 8.095 9.461 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -20.689 9.447 9.904 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -19.466 9.682 11.176 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -19.698 10.925 9.924 1.00 1.97 H new ATOM 37 N ASP A 3 -18.644 10.349 7.090 1.00 1.87 N ATOM 38 CA ASP A 3 -18.908 10.527 5.658 1.00 1.88 C ATOM 39 C ASP A 3 -18.013 9.649 4.766 1.00 1.81 C ATOM 40 O ASP A 3 -18.476 9.176 3.730 1.00 1.82 O ATOM 41 CB ASP A 3 -18.729 12.010 5.310 1.00 1.90 C ATOM 42 CG ASP A 3 -19.190 12.332 3.878 1.00 1.92 C ATOM 43 OD1 ASP A 3 -20.411 12.233 3.602 1.00 1.98 O ATOM 44 OD2 ASP A 3 -18.346 12.733 3.042 1.00 1.89 O ATOM 0 H ASP A 3 -18.150 11.130 7.522 1.00 1.87 H new ATOM 0 HA ASP A 3 -19.931 10.207 5.461 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -19.294 12.618 6.017 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -17.680 12.283 5.422 1.00 1.90 H new ATOM 49 N GLU A 4 -16.778 9.349 5.199 1.00 1.74 N ATOM 50 CA GLU A 4 -15.915 8.407 4.474 1.00 1.68 C ATOM 51 C GLU A 4 -16.506 7.002 4.578 1.00 1.69 C ATOM 52 O GLU A 4 -16.671 6.316 3.571 1.00 1.68 O ATOM 53 CB GLU A 4 -14.489 8.405 5.044 1.00 1.62 C ATOM 54 CG GLU A 4 -13.792 9.775 5.013 1.00 1.61 C ATOM 55 CD GLU A 4 -13.924 10.500 6.363 1.00 1.65 C ATOM 56 OE1 GLU A 4 -15.025 10.998 6.707 1.00 1.71 O ATOM 57 OE2 GLU A 4 -12.945 10.534 7.140 1.00 1.62 O ATOM 0 H GLU A 4 -16.358 9.743 6.041 1.00 1.74 H new ATOM 0 HA GLU A 4 -15.864 8.720 3.431 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -14.523 8.051 6.074 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -13.887 7.691 4.482 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -12.738 9.644 4.770 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -14.227 10.389 4.224 1.00 1.61 H new ATOM 64 N GLN A 5 -16.920 6.602 5.789 1.00 1.72 N ATOM 65 CA GLN A 5 -17.593 5.316 5.964 1.00 1.75 C ATOM 66 C GLN A 5 -18.894 5.226 5.149 1.00 1.81 C ATOM 67 O GLN A 5 -19.077 4.259 4.411 1.00 1.81 O ATOM 68 CB GLN A 5 -17.813 4.979 7.446 1.00 1.78 C ATOM 69 CG GLN A 5 -16.486 4.637 8.152 1.00 1.73 C ATOM 70 CD GLN A 5 -16.667 3.559 9.219 1.00 1.77 C ATOM 71 OE1 GLN A 5 -16.689 3.818 10.415 1.00 1.80 O ATOM 72 NE2 GLN A 5 -16.808 2.310 8.833 1.00 1.77 N ATOM 0 H GLN A 5 -16.802 7.143 6.646 1.00 1.72 H new ATOM 0 HA GLN A 5 -16.923 4.554 5.565 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -18.285 5.825 7.946 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -18.499 4.136 7.530 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -15.759 4.298 7.414 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -16.077 5.537 8.611 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -16.792 2.078 7.840 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -16.934 1.573 9.527 1.00 1.77 H new ATOM 81 N ALA A 6 -19.751 6.250 5.179 1.00 1.86 N ATOM 82 CA ALA A 6 -20.952 6.304 4.343 1.00 1.92 C ATOM 83 C ALA A 6 -20.626 6.173 2.843 1.00 1.90 C ATOM 84 O ALA A 6 -21.199 5.318 2.158 1.00 1.92 O ATOM 85 CB ALA A 6 -21.715 7.598 4.652 1.00 1.98 C ATOM 0 H ALA A 6 -19.632 7.063 5.783 1.00 1.86 H new ATOM 0 HA ALA A 6 -21.585 5.449 4.581 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -22.612 7.648 4.034 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -21.998 7.611 5.704 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -21.078 8.456 4.437 1.00 1.98 H new ATOM 91 N PHE A 7 -19.655 6.938 2.327 1.00 1.85 N ATOM 92 CA PHE A 7 -19.270 6.853 0.918 1.00 1.83 C ATOM 93 C PHE A 7 -18.451 5.598 0.573 1.00 1.77 C ATOM 94 O PHE A 7 -18.419 5.222 -0.605 1.00 1.78 O ATOM 95 CB PHE A 7 -18.678 8.185 0.408 1.00 1.82 C ATOM 96 CG PHE A 7 -17.197 8.503 0.578 1.00 1.75 C ATOM 97 CD1 PHE A 7 -16.216 7.743 -0.091 1.00 1.69 C ATOM 98 CD2 PHE A 7 -16.805 9.692 1.229 1.00 1.75 C ATOM 99 CE1 PHE A 7 -14.871 8.144 -0.078 1.00 1.63 C ATOM 100 CE2 PHE A 7 -15.454 10.085 1.258 1.00 1.69 C ATOM 101 CZ PHE A 7 -14.483 9.307 0.609 1.00 1.63 C ATOM 0 H PHE A 7 -19.124 7.621 2.867 1.00 1.85 H new ATOM 0 HA PHE A 7 -20.186 6.706 0.345 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -18.897 8.244 -0.658 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -19.234 8.988 0.892 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -16.502 6.845 -0.618 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -17.550 10.308 1.711 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -14.130 7.556 -0.599 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -15.165 10.985 1.780 1.00 1.69 H new ATOM 0 HZ PHE A 7 -13.444 9.600 0.637 1.00 1.63 H new ATOM 111 N LEU A 8 -17.908 4.868 1.566 1.00 1.73 N ATOM 112 CA LEU A 8 -17.292 3.571 1.243 1.00 1.69 C ATOM 113 C LEU A 8 -18.292 2.416 1.410 1.00 1.75 C ATOM 114 O LEU A 8 -18.060 1.342 0.863 1.00 1.73 O ATOM 115 CB LEU A 8 -16.024 3.361 2.095 1.00 1.63 C ATOM 116 CG LEU A 8 -14.719 3.279 1.287 1.00 1.56 C ATOM 117 CD1 LEU A 8 -14.613 1.926 0.595 1.00 1.55 C ATOM 118 CD2 LEU A 8 -14.524 4.417 0.280 1.00 1.55 C ATOM 0 H LEU A 8 -17.882 5.137 2.550 1.00 1.73 H new ATOM 0 HA LEU A 8 -16.998 3.579 0.194 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -15.943 4.179 2.810 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -16.137 2.443 2.672 1.00 1.63 H new ATOM 0 HG LEU A 8 -13.913 3.393 2.011 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -13.684 1.880 0.026 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -14.620 1.133 1.343 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -15.459 1.795 -0.080 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -13.579 4.280 -0.245 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -15.343 4.411 -0.439 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -14.511 5.371 0.807 1.00 1.55 H new ATOM 130 N VAL A 9 -19.423 2.626 2.099 1.00 1.81 N ATOM 131 CA VAL A 9 -20.551 1.676 2.064 1.00 1.87 C ATOM 132 C VAL A 9 -21.285 1.810 0.722 1.00 1.92 C ATOM 133 O VAL A 9 -21.651 0.804 0.105 1.00 1.94 O ATOM 134 CB VAL A 9 -21.497 1.883 3.267 1.00 1.93 C ATOM 135 CG1 VAL A 9 -22.830 1.131 3.129 1.00 2.01 C ATOM 136 CG2 VAL A 9 -20.829 1.372 4.551 1.00 1.91 C ATOM 0 H VAL A 9 -19.584 3.444 2.687 1.00 1.81 H new ATOM 0 HA VAL A 9 -20.168 0.659 2.148 1.00 1.87 H new ATOM 0 HB VAL A 9 -21.699 2.954 3.303 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -23.447 1.320 4.008 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -23.353 1.478 2.238 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -22.637 0.062 3.044 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -21.502 1.521 5.395 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -20.607 0.310 4.448 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -19.903 1.921 4.723 1.00 1.91 H new ATOM 146 N ALA A 10 -21.416 3.038 0.209 1.00 1.93 N ATOM 147 CA ALA A 10 -21.895 3.268 -1.153 1.00 1.97 C ATOM 148 C ALA A 10 -20.949 2.664 -2.211 1.00 1.92 C ATOM 149 O ALA A 10 -21.422 1.955 -3.110 1.00 1.96 O ATOM 150 CB ALA A 10 -22.086 4.776 -1.358 1.00 1.99 C ATOM 0 H ALA A 10 -21.195 3.891 0.722 1.00 1.93 H new ATOM 0 HA ALA A 10 -22.850 2.760 -1.284 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -22.443 4.963 -2.371 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -22.816 5.151 -0.640 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -21.135 5.287 -1.209 1.00 1.99 H new ATOM 156 N LEU A 11 -19.621 2.856 -2.073 1.00 1.84 N ATOM 157 CA LEU A 11 -18.669 2.119 -2.913 1.00 1.80 C ATOM 158 C LEU A 11 -18.791 0.612 -2.712 1.00 1.80 C ATOM 159 O LEU A 11 -18.791 -0.093 -3.708 1.00 1.82 O ATOM 160 CB LEU A 11 -17.209 2.549 -2.708 1.00 1.71 C ATOM 161 CG LEU A 11 -16.227 1.762 -3.615 1.00 1.67 C ATOM 162 CD1 LEU A 11 -16.450 1.970 -5.113 1.00 1.71 C ATOM 163 CD2 LEU A 11 -14.796 2.187 -3.321 1.00 1.59 C ATOM 0 H LEU A 11 -19.196 3.499 -1.405 1.00 1.84 H new ATOM 0 HA LEU A 11 -18.941 2.371 -3.938 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -17.115 3.615 -2.915 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -16.933 2.401 -1.664 1.00 1.71 H new ATOM 0 HG LEU A 11 -16.411 0.712 -3.385 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -15.722 1.384 -5.674 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -17.457 1.648 -5.379 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -16.331 3.026 -5.355 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -14.112 1.630 -3.962 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -14.686 3.254 -3.514 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -14.563 1.982 -2.276 1.00 1.59 H new ATOM 175 N TYR A 12 -18.915 0.092 -1.488 1.00 1.80 N ATOM 176 CA TYR A 12 -19.058 -1.348 -1.249 1.00 1.81 C ATOM 177 C TYR A 12 -20.213 -1.944 -2.059 1.00 1.89 C ATOM 178 O TYR A 12 -20.014 -2.957 -2.734 1.00 1.89 O ATOM 179 CB TYR A 12 -19.216 -1.652 0.248 1.00 1.82 C ATOM 180 CG TYR A 12 -19.692 -3.060 0.558 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.950 -4.173 0.121 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.919 -3.254 1.229 1.00 1.94 C ATOM 183 CE1 TYR A 12 -19.433 -5.479 0.342 1.00 1.89 C ATOM 184 CE2 TYR A 12 -21.399 -4.556 1.460 1.00 1.99 C ATOM 185 CZ TYR A 12 -20.660 -5.673 1.014 1.00 1.96 C ATOM 186 OH TYR A 12 -21.132 -6.935 1.219 1.00 2.02 O ATOM 0 H TYR A 12 -18.919 0.654 -0.637 1.00 1.80 H new ATOM 0 HA TYR A 12 -18.140 -1.825 -1.591 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -18.258 -1.489 0.742 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.921 -0.941 0.678 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -18.007 -4.026 -0.385 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -21.490 -2.401 1.566 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -18.865 -6.331 -0.002 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -22.335 -4.701 1.980 1.00 1.99 H new ATOM 0 HH TYR A 12 -21.987 -6.891 1.696 1.00 2.02 H new ATOM 196 N LYS A 13 -21.379 -1.281 -2.078 1.00 1.95 N ATOM 197 CA LYS A 13 -22.480 -1.679 -2.965 1.00 2.03 C ATOM 198 C LYS A 13 -22.075 -1.599 -4.438 1.00 2.02 C ATOM 199 O LYS A 13 -22.137 -2.627 -5.120 1.00 2.05 O ATOM 200 CB LYS A 13 -23.739 -0.863 -2.628 1.00 2.10 C ATOM 201 CG LYS A 13 -24.969 -1.357 -3.407 1.00 2.18 C ATOM 202 CD LYS A 13 -26.250 -0.572 -3.076 1.00 2.25 C ATOM 203 CE LYS A 13 -26.713 -0.792 -1.630 1.00 2.27 C ATOM 204 NZ LYS A 13 -27.998 -0.095 -1.355 1.00 2.34 N ATOM 0 H LYS A 13 -21.582 -0.471 -1.492 1.00 1.95 H new ATOM 0 HA LYS A 13 -22.720 -2.728 -2.793 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.937 -0.927 -1.558 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -23.562 0.188 -2.857 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.769 -1.280 -4.476 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -25.130 -2.412 -3.188 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -26.074 0.491 -3.241 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -27.044 -0.873 -3.759 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.830 -1.859 -1.443 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.948 -0.430 -0.943 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -28.281 -0.265 -0.369 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.879 0.927 -1.510 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -28.734 -0.458 -1.994 1.00 2.34 H new ATOM 218 N TYR A 14 -21.604 -0.448 -4.935 1.00 2.00 N ATOM 219 CA TYR A 14 -21.170 -0.370 -6.337 1.00 2.00 C ATOM 220 C TYR A 14 -20.079 -1.374 -6.753 1.00 1.95 C ATOM 221 O TYR A 14 -20.170 -1.958 -7.831 1.00 1.99 O ATOM 222 CB TYR A 14 -20.714 1.071 -6.608 1.00 1.98 C ATOM 223 CG TYR A 14 -20.509 1.389 -8.075 1.00 2.01 C ATOM 224 CD1 TYR A 14 -21.624 1.676 -8.887 1.00 2.10 C ATOM 225 CD2 TYR A 14 -19.213 1.391 -8.633 1.00 1.96 C ATOM 226 CE1 TYR A 14 -21.452 1.960 -10.254 1.00 2.14 C ATOM 227 CE2 TYR A 14 -19.038 1.667 -10.005 1.00 1.99 C ATOM 228 CZ TYR A 14 -20.158 1.951 -10.817 1.00 2.09 C ATOM 229 OH TYR A 14 -19.986 2.183 -12.148 1.00 2.13 O ATOM 0 H TYR A 14 -21.515 0.419 -4.406 1.00 2.00 H new ATOM 0 HA TYR A 14 -22.027 -0.652 -6.949 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -21.454 1.758 -6.198 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -19.781 1.252 -6.074 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -22.615 1.678 -8.458 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -18.356 1.181 -8.010 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -22.309 2.185 -10.872 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -18.047 1.661 -10.435 1.00 1.99 H new ATOM 0 HH TYR A 14 -19.032 2.141 -12.367 1.00 2.13 H new ATOM 239 N MET A 15 -19.069 -1.624 -5.915 1.00 1.88 N ATOM 240 CA MET A 15 -17.969 -2.532 -6.236 1.00 1.83 C ATOM 241 C MET A 15 -18.392 -4.003 -6.125 1.00 1.86 C ATOM 242 O MET A 15 -17.934 -4.825 -6.921 1.00 1.86 O ATOM 243 CB MET A 15 -16.688 -2.171 -5.477 1.00 1.74 C ATOM 244 CG MET A 15 -16.664 -2.544 -3.995 1.00 1.72 C ATOM 245 SD MET A 15 -15.302 -1.811 -3.041 1.00 1.62 S ATOM 246 CE MET A 15 -13.858 -2.206 -4.069 1.00 1.57 C ATOM 0 H MET A 15 -18.993 -1.199 -4.991 1.00 1.88 H new ATOM 0 HA MET A 15 -17.713 -2.396 -7.287 1.00 1.83 H new ATOM 0 HB2 MET A 15 -15.847 -2.660 -5.969 1.00 1.74 H new ATOM 0 HB3 MET A 15 -16.527 -1.096 -5.564 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.609 -2.240 -3.544 1.00 1.72 H new ATOM 0 HG3 MET A 15 -16.605 -3.629 -3.910 1.00 1.72 H new ATOM 0 HE1 MET A 15 -13.000 -1.626 -3.729 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.633 -3.269 -3.987 1.00 1.57 H new ATOM 0 HE3 MET A 15 -14.073 -1.960 -5.109 1.00 1.57 H new ATOM 256 N LYS A 16 -19.338 -4.350 -5.232 1.00 1.90 N ATOM 257 CA LYS A 16 -19.976 -5.677 -5.245 1.00 1.96 C ATOM 258 C LYS A 16 -20.787 -5.893 -6.532 1.00 2.03 C ATOM 259 O LYS A 16 -20.696 -6.958 -7.139 1.00 2.05 O ATOM 260 CB LYS A 16 -20.816 -5.846 -3.968 1.00 1.99 C ATOM 261 CG LYS A 16 -21.385 -7.264 -3.828 1.00 2.05 C ATOM 262 CD LYS A 16 -21.752 -7.564 -2.369 1.00 2.07 C ATOM 263 CE LYS A 16 -22.367 -8.962 -2.255 1.00 2.13 C ATOM 264 NZ LYS A 16 -22.412 -9.412 -0.841 1.00 2.15 N ATOM 0 H LYS A 16 -19.676 -3.731 -4.495 1.00 1.90 H new ATOM 0 HA LYS A 16 -19.211 -6.454 -5.247 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -20.201 -5.616 -3.098 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.636 -5.127 -3.977 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -22.268 -7.370 -4.459 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -20.653 -7.991 -4.180 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.863 -7.498 -1.742 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -22.457 -6.818 -2.003 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -23.375 -8.954 -2.670 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.784 -9.668 -2.846 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.938 -10.307 -0.778 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -21.443 -9.555 -0.491 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -22.886 -8.690 -0.262 1.00 2.15 H new ATOM 278 N GLU A 17 -21.456 -4.847 -7.020 1.00 2.07 N ATOM 279 CA GLU A 17 -22.085 -4.849 -8.359 1.00 2.13 C ATOM 280 C GLU A 17 -21.061 -4.789 -9.530 1.00 2.10 C ATOM 281 O GLU A 17 -21.445 -4.810 -10.701 1.00 2.16 O ATOM 282 CB GLU A 17 -23.102 -3.690 -8.412 1.00 2.18 C ATOM 283 CG GLU A 17 -24.193 -3.864 -9.478 1.00 2.27 C ATOM 284 CD GLU A 17 -25.280 -2.780 -9.336 1.00 2.33 C ATOM 285 OE1 GLU A 17 -25.151 -1.697 -9.957 1.00 2.34 O ATOM 286 OE2 GLU A 17 -26.283 -3.008 -8.615 1.00 2.37 O ATOM 0 H GLU A 17 -21.582 -3.974 -6.507 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.595 -5.802 -8.502 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -23.576 -3.591 -7.435 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -22.567 -2.760 -8.603 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -23.748 -3.810 -10.472 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -24.644 -4.852 -9.384 1.00 2.27 H new ATOM 293 N ARG A 18 -19.753 -4.739 -9.222 1.00 2.02 N ATOM 294 CA ARG A 18 -18.670 -4.803 -10.231 1.00 1.99 C ATOM 295 C ARG A 18 -17.743 -6.019 -10.023 1.00 1.95 C ATOM 296 O ARG A 18 -16.613 -6.036 -10.517 1.00 1.90 O ATOM 297 CB ARG A 18 -17.927 -3.444 -10.319 1.00 1.94 C ATOM 298 CG ARG A 18 -18.523 -2.486 -11.366 1.00 2.01 C ATOM 299 CD ARG A 18 -19.801 -1.768 -10.919 1.00 2.06 C ATOM 300 NE ARG A 18 -20.452 -1.084 -12.051 1.00 2.13 N ATOM 301 CZ ARG A 18 -21.390 -1.575 -12.844 1.00 2.22 C ATOM 302 NH1 ARG A 18 -21.876 -2.778 -12.710 1.00 2.24 N ATOM 303 NH2 ARG A 18 -21.860 -0.848 -13.818 1.00 2.28 N ATOM 0 H ARG A 18 -19.412 -4.653 -8.265 1.00 2.02 H new ATOM 0 HA ARG A 18 -19.119 -4.972 -11.210 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -17.951 -2.962 -9.342 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -16.880 -3.626 -10.559 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -17.773 -1.738 -11.624 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -18.737 -3.049 -12.274 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -20.491 -2.488 -10.480 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -19.561 -1.043 -10.142 1.00 2.06 H new ATOM 0 HE ARG A 18 -20.146 -0.130 -12.243 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -21.533 -3.387 -11.967 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -22.599 -3.110 -13.348 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -21.505 0.096 -13.967 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -22.583 -1.223 -14.431 1.00 2.28 H new ATOM 317 N LYS A 19 -18.220 -7.053 -9.309 1.00 1.97 N ATOM 318 CA LYS A 19 -17.546 -8.347 -9.052 1.00 1.95 C ATOM 319 C LYS A 19 -16.251 -8.178 -8.248 1.00 1.86 C ATOM 320 O LYS A 19 -15.371 -9.045 -8.260 1.00 1.84 O ATOM 321 CB LYS A 19 -17.363 -9.148 -10.362 1.00 1.99 C ATOM 322 CG LYS A 19 -18.683 -9.370 -11.120 1.00 2.09 C ATOM 323 CD LYS A 19 -18.457 -10.189 -12.398 1.00 2.13 C ATOM 324 CE LYS A 19 -19.780 -10.362 -13.155 1.00 2.22 C ATOM 325 NZ LYS A 19 -19.595 -11.130 -14.415 1.00 2.27 N ATOM 0 H LYS A 19 -19.139 -7.010 -8.868 1.00 1.97 H new ATOM 0 HA LYS A 19 -18.198 -8.945 -8.415 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -16.663 -8.620 -11.009 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -16.916 -10.115 -10.131 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -19.394 -9.886 -10.475 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -19.125 -8.407 -11.375 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -17.727 -9.689 -13.035 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -18.044 -11.165 -12.145 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -20.500 -10.876 -12.518 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -20.199 -9.382 -13.384 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -20.510 -11.227 -14.900 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -18.927 -10.627 -15.033 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -19.218 -12.074 -14.194 1.00 2.27 H new ATOM 339 N THR A 20 -16.165 -7.059 -7.522 1.00 1.82 N ATOM 340 CA THR A 20 -14.971 -6.697 -6.760 1.00 1.73 C ATOM 341 C THR A 20 -15.350 -6.185 -5.358 1.00 1.72 C ATOM 342 O THR A 20 -15.011 -5.055 -5.013 1.00 1.68 O ATOM 343 CB THR A 20 -14.089 -5.692 -7.545 1.00 1.69 C ATOM 344 OG1 THR A 20 -13.932 -6.088 -8.894 1.00 1.72 O ATOM 345 CG2 THR A 20 -12.663 -5.584 -6.995 1.00 1.61 C ATOM 0 H THR A 20 -16.923 -6.380 -7.448 1.00 1.82 H new ATOM 0 HA THR A 20 -14.367 -7.593 -6.617 1.00 1.73 H new ATOM 0 HB THR A 20 -14.613 -4.741 -7.447 1.00 1.69 H new ATOM 0 HG1 THR A 20 -14.782 -5.977 -9.368 1.00 1.72 H new ATOM 0 HG21 THR A 20 -12.098 -4.865 -7.588 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.697 -5.251 -5.958 1.00 1.61 H new ATOM 0 HG23 THR A 20 -12.178 -6.559 -7.048 1.00 1.61 H new ATOM 353 N PRO A 21 -16.106 -6.948 -4.540 1.00 1.76 N ATOM 354 CA PRO A 21 -16.527 -6.513 -3.203 1.00 1.76 C ATOM 355 C PRO A 21 -15.345 -6.368 -2.227 1.00 1.69 C ATOM 356 O PRO A 21 -14.310 -7.014 -2.384 1.00 1.66 O ATOM 357 CB PRO A 21 -17.504 -7.593 -2.726 1.00 1.84 C ATOM 358 CG PRO A 21 -17.014 -8.854 -3.434 1.00 1.85 C ATOM 359 CD PRO A 21 -16.562 -8.312 -4.786 1.00 1.82 C ATOM 0 HA PRO A 21 -16.982 -5.523 -3.240 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -17.480 -7.706 -1.642 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -18.532 -7.353 -2.998 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -16.197 -9.332 -2.894 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.806 -9.596 -3.537 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.761 -8.922 -5.203 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -17.381 -8.326 -5.506 1.00 1.82 H new ATOM 367 N ILE A 22 -15.537 -5.609 -1.142 1.00 1.68 N ATOM 368 CA ILE A 22 -14.574 -5.582 -0.010 1.00 1.64 C ATOM 369 C ILE A 22 -14.409 -6.992 0.617 1.00 1.67 C ATOM 370 O ILE A 22 -13.371 -7.326 1.182 1.00 1.64 O ATOM 371 CB ILE A 22 -14.996 -4.481 1.001 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.901 -3.103 0.316 1.00 1.61 C ATOM 373 CG2 ILE A 22 -14.141 -4.506 2.284 1.00 1.61 C ATOM 374 CD1 ILE A 22 -15.365 -1.915 1.168 1.00 1.62 C ATOM 0 H ILE A 22 -16.347 -5.002 -1.014 1.00 1.68 H new ATOM 0 HA ILE A 22 -13.580 -5.316 -0.369 1.00 1.64 H new ATOM 0 HB ILE A 22 -16.024 -4.676 1.306 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.866 -2.934 0.019 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -15.495 -3.128 -0.598 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -14.475 -3.718 2.959 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -14.249 -5.473 2.774 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -13.094 -4.344 2.027 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -15.258 -0.993 0.596 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -16.411 -2.052 1.444 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -14.756 -1.855 2.070 1.00 1.62 H new ATOM 386 N GLU A 23 -15.418 -7.845 0.410 1.00 1.74 N ATOM 387 CA GLU A 23 -15.332 -9.288 0.712 1.00 1.78 C ATOM 388 C GLU A 23 -14.142 -10.037 0.047 1.00 1.75 C ATOM 389 O GLU A 23 -13.827 -11.152 0.473 1.00 1.78 O ATOM 390 CB GLU A 23 -16.660 -9.990 0.380 1.00 1.87 C ATOM 391 CG GLU A 23 -17.842 -9.445 1.190 1.00 1.91 C ATOM 392 CD GLU A 23 -19.113 -10.272 0.931 1.00 2.00 C ATOM 393 OE1 GLU A 23 -19.822 -9.996 -0.066 1.00 2.02 O ATOM 394 OE2 GLU A 23 -19.415 -11.201 1.721 1.00 2.06 O ATOM 0 H GLU A 23 -16.320 -7.560 0.028 1.00 1.74 H new ATOM 0 HA GLU A 23 -15.134 -9.338 1.783 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.870 -9.874 -0.683 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -16.558 -11.058 0.570 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -17.600 -9.466 2.253 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -18.021 -8.403 0.924 1.00 1.91 H new ATOM 401 N ARG A 24 -13.432 -9.441 -0.936 1.00 1.69 N ATOM 402 CA ARG A 24 -12.160 -9.954 -1.509 1.00 1.65 C ATOM 403 C ARG A 24 -10.927 -9.073 -1.206 1.00 1.57 C ATOM 404 O ARG A 24 -9.859 -9.281 -1.783 1.00 1.53 O ATOM 405 CB ARG A 24 -12.337 -10.298 -3.009 1.00 1.67 C ATOM 406 CG ARG A 24 -12.131 -9.135 -4.003 1.00 1.62 C ATOM 407 CD ARG A 24 -12.612 -9.485 -5.420 1.00 1.67 C ATOM 408 NE ARG A 24 -11.821 -10.565 -6.039 1.00 1.67 N ATOM 409 CZ ARG A 24 -12.037 -11.132 -7.217 1.00 1.72 C ATOM 410 NH1 ARG A 24 -13.022 -10.795 -8.003 1.00 1.77 N ATOM 411 NH2 ARG A 24 -11.240 -12.071 -7.639 1.00 1.72 N ATOM 0 H ARG A 24 -13.732 -8.567 -1.367 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.929 -10.884 -0.990 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -11.637 -11.094 -3.263 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -13.341 -10.698 -3.153 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -12.668 -8.256 -3.646 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -11.074 -8.871 -4.036 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -13.659 -9.784 -5.380 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.558 -8.595 -6.048 1.00 1.67 H new ATOM 0 HE ARG A 24 -11.024 -10.912 -5.504 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.672 -10.062 -7.720 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -13.142 -11.265 -8.900 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -10.452 -12.368 -7.063 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -11.403 -12.510 -8.545 1.00 1.72 H new ATOM 425 N ILE A 25 -11.061 -8.117 -0.282 1.00 1.55 N ATOM 426 CA ILE A 25 -10.047 -7.129 0.132 1.00 1.48 C ATOM 427 C ILE A 25 -9.928 -7.166 1.676 1.00 1.49 C ATOM 428 O ILE A 25 -10.471 -6.302 2.374 1.00 1.50 O ATOM 429 CB ILE A 25 -10.382 -5.714 -0.417 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.803 -5.711 -1.908 1.00 1.46 C ATOM 431 CG2 ILE A 25 -9.141 -4.820 -0.226 1.00 1.37 C ATOM 432 CD1 ILE A 25 -11.229 -4.334 -2.433 1.00 1.45 C ATOM 0 H ILE A 25 -11.934 -8.001 0.232 1.00 1.55 H new ATOM 0 HA ILE A 25 -9.077 -7.384 -0.294 1.00 1.48 H new ATOM 0 HB ILE A 25 -11.240 -5.338 0.139 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.972 -6.077 -2.510 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -11.627 -6.411 -2.044 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -9.351 -3.820 -0.604 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.894 -4.762 0.834 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -8.299 -5.245 -0.772 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -11.509 -4.416 -3.483 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -12.081 -3.973 -1.858 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -10.400 -3.634 -2.332 1.00 1.45 H new ATOM 444 N PRO A 26 -9.580 -8.350 2.223 1.00 1.53 N ATOM 445 CA PRO A 26 -9.607 -8.601 3.674 1.00 1.57 C ATOM 446 C PRO A 26 -8.711 -7.779 4.584 1.00 1.52 C ATOM 447 O PRO A 26 -9.105 -7.512 5.719 1.00 1.50 O ATOM 448 CB PRO A 26 -9.272 -10.089 3.803 1.00 1.62 C ATOM 449 CG PRO A 26 -8.635 -10.472 2.516 1.00 1.59 C ATOM 450 CD PRO A 26 -9.188 -9.549 1.474 1.00 1.55 C ATOM 0 HA PRO A 26 -10.589 -8.292 4.032 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -8.598 -10.267 4.641 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -10.171 -10.678 3.985 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -7.551 -10.381 2.578 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -8.854 -11.511 2.269 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -8.443 -9.317 0.713 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -10.041 -9.994 0.961 1.00 1.55 H new ATOM 458 N TYR A 27 -7.541 -7.357 4.145 1.00 1.52 N ATOM 459 CA TYR A 27 -6.671 -6.639 5.068 1.00 1.49 C ATOM 460 C TYR A 27 -5.959 -5.426 4.483 1.00 1.38 C ATOM 461 O TYR A 27 -6.143 -5.030 3.331 1.00 1.34 O ATOM 462 CB TYR A 27 -5.612 -7.598 5.603 1.00 1.61 C ATOM 463 CG TYR A 27 -6.140 -8.661 6.538 1.00 1.65 C ATOM 464 CD1 TYR A 27 -6.350 -8.385 7.885 1.00 1.91 C ATOM 465 CD2 TYR A 27 -6.433 -9.937 6.075 1.00 1.76 C ATOM 466 CE1 TYR A 27 -6.836 -9.351 8.745 1.00 2.21 C ATOM 467 CE2 TYR A 27 -6.921 -10.909 6.926 1.00 2.09 C ATOM 468 CZ TYR A 27 -7.108 -10.620 8.255 1.00 2.29 C ATOM 469 OH TYR A 27 -7.595 -11.578 9.117 1.00 2.75 O ATOM 0 H TYR A 27 -7.179 -7.488 3.201 1.00 1.52 H new ATOM 0 HA TYR A 27 -7.331 -6.259 5.848 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -5.123 -8.085 4.760 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -4.848 -7.021 6.125 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -6.129 -7.399 8.265 1.00 1.91 H new ATOM 0 HD2 TYR A 27 -6.277 -10.173 5.033 1.00 1.76 H new ATOM 0 HE1 TYR A 27 -7.002 -9.121 9.787 1.00 2.21 H new ATOM 0 HE2 TYR A 27 -7.155 -11.893 6.547 1.00 2.09 H new ATOM 0 HH TYR A 27 -7.738 -12.415 8.628 1.00 2.75 H new ATOM 479 N LEU A 28 -5.146 -4.864 5.368 1.00 1.39 N ATOM 480 CA LEU A 28 -4.285 -3.723 5.127 1.00 1.35 C ATOM 481 C LEU A 28 -2.871 -4.224 5.371 1.00 1.35 C ATOM 482 O LEU A 28 -2.715 -5.294 5.956 1.00 1.38 O ATOM 483 CB LEU A 28 -4.632 -2.567 6.075 1.00 1.42 C ATOM 484 CG LEU A 28 -3.837 -1.278 5.892 1.00 1.37 C ATOM 485 CD1 LEU A 28 -4.342 -0.513 4.681 1.00 1.58 C ATOM 486 CD2 LEU A 28 -3.940 -0.419 7.143 1.00 1.77 C ATOM 0 H LEU A 28 -5.069 -5.214 6.323 1.00 1.39 H new ATOM 0 HA LEU A 28 -4.403 -3.334 4.116 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -5.691 -2.335 5.958 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -4.493 -2.912 7.100 1.00 1.42 H new ATOM 0 HG LEU A 28 -2.790 -1.532 5.727 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -3.765 0.404 4.564 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -4.230 -1.129 3.789 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -5.394 -0.264 4.820 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -3.369 0.499 7.002 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -4.985 -0.171 7.329 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -3.540 -0.968 7.995 1.00 1.77 H new ATOM 498 N GLY A 29 -1.859 -3.486 4.935 1.00 1.36 N ATOM 499 CA GLY A 29 -0.483 -3.939 5.099 1.00 1.41 C ATOM 500 C GLY A 29 -0.159 -4.486 6.484 1.00 1.47 C ATOM 501 O GLY A 29 0.390 -5.583 6.589 1.00 1.53 O ATOM 0 H GLY A 29 -1.961 -2.583 4.471 1.00 1.36 H new ATOM 0 HA2 GLY A 29 -0.278 -4.713 4.359 1.00 1.41 H new ATOM 0 HA3 GLY A 29 0.188 -3.107 4.884 1.00 1.41 H new ATOM 505 N PHE A 30 -0.475 -3.747 7.540 1.00 1.52 N ATOM 506 CA PHE A 30 -0.199 -4.229 8.896 1.00 1.61 C ATOM 507 C PHE A 30 -1.444 -4.775 9.617 1.00 1.61 C ATOM 508 O PHE A 30 -1.386 -5.817 10.273 1.00 1.66 O ATOM 509 CB PHE A 30 0.495 -3.143 9.738 1.00 1.76 C ATOM 510 CG PHE A 30 -0.421 -2.194 10.471 1.00 1.83 C ATOM 511 CD1 PHE A 30 -1.197 -1.279 9.770 1.00 2.34 C ATOM 512 CD2 PHE A 30 -0.523 -2.227 11.854 1.00 2.24 C ATOM 513 CE1 PHE A 30 -2.054 -0.423 10.433 1.00 2.75 C ATOM 514 CE2 PHE A 30 -1.376 -1.368 12.521 1.00 2.87 C ATOM 515 CZ PHE A 30 -2.075 -0.422 11.835 1.00 2.93 C ATOM 0 H PHE A 30 -0.915 -2.828 7.492 1.00 1.52 H new ATOM 0 HA PHE A 30 0.481 -5.074 8.784 1.00 1.61 H new ATOM 0 HB2 PHE A 30 1.139 -3.633 10.468 1.00 1.76 H new ATOM 0 HB3 PHE A 30 1.142 -2.560 9.082 1.00 1.76 H new ATOM 0 HD1 PHE A 30 -1.129 -1.237 8.693 1.00 2.34 H new ATOM 0 HD2 PHE A 30 0.071 -2.932 12.416 1.00 2.24 H new ATOM 0 HE1 PHE A 30 -2.702 0.239 9.877 1.00 2.75 H new ATOM 0 HE2 PHE A 30 -1.489 -1.448 13.592 1.00 2.87 H new ATOM 0 HZ PHE A 30 -2.643 0.326 12.368 1.00 2.93 H new ATOM 525 N LYS A 31 -2.564 -4.074 9.464 1.00 1.61 N ATOM 526 CA LYS A 31 -3.808 -4.402 10.161 1.00 1.66 C ATOM 527 C LYS A 31 -4.978 -4.595 9.197 1.00 1.60 C ATOM 528 O LYS A 31 -4.769 -4.808 8.013 1.00 1.53 O ATOM 529 CB LYS A 31 -4.129 -3.285 11.154 1.00 1.73 C ATOM 530 CG LYS A 31 -4.796 -3.760 12.431 1.00 1.80 C ATOM 531 CD LYS A 31 -5.296 -2.580 13.239 1.00 2.09 C ATOM 532 CE LYS A 31 -6.228 -3.020 14.354 1.00 2.48 C ATOM 533 NZ LYS A 31 -7.453 -3.684 13.827 1.00 3.02 N ATOM 0 H LYS A 31 -2.637 -3.261 8.853 1.00 1.61 H new ATOM 0 HA LYS A 31 -3.665 -5.348 10.683 1.00 1.66 H new ATOM 0 HB2 LYS A 31 -3.205 -2.766 11.411 1.00 1.73 H new ATOM 0 HB3 LYS A 31 -4.778 -2.557 10.667 1.00 1.73 H new ATOM 0 HG2 LYS A 31 -5.628 -4.422 12.189 1.00 1.80 H new ATOM 0 HG3 LYS A 31 -4.089 -4.341 13.023 1.00 1.80 H new ATOM 0 HD2 LYS A 31 -4.447 -2.044 13.664 1.00 2.09 H new ATOM 0 HD3 LYS A 31 -5.817 -1.883 12.582 1.00 2.09 H new ATOM 0 HE2 LYS A 31 -5.701 -3.705 15.018 1.00 2.48 H new ATOM 0 HE3 LYS A 31 -6.513 -2.154 14.951 1.00 2.48 H new ATOM 0 HZ1 LYS A 31 -8.209 -3.634 14.540 1.00 3.02 H new ATOM 0 HZ2 LYS A 31 -7.763 -3.202 12.959 1.00 3.02 H new ATOM 0 HZ3 LYS A 31 -7.244 -4.680 13.614 1.00 3.02 H new ATOM 547 N GLN A 32 -6.205 -4.586 9.736 1.00 1.67 N ATOM 548 CA GLN A 32 -7.425 -4.735 8.934 1.00 1.66 C ATOM 549 C GLN A 32 -7.501 -3.600 7.904 1.00 1.58 C ATOM 550 O GLN A 32 -6.763 -2.624 8.017 1.00 1.55 O ATOM 551 CB GLN A 32 -8.647 -4.702 9.844 1.00 1.78 C ATOM 552 CG GLN A 32 -8.741 -5.896 10.778 1.00 1.93 C ATOM 553 CD GLN A 32 -10.018 -5.891 11.590 1.00 2.33 C ATOM 554 OE1 GLN A 32 -9.968 -5.298 12.778 1.00 2.95 O flip ATOM 555 NE2 GLN A 32 -11.040 -6.415 11.156 1.00 2.75 N flip ATOM 0 H GLN A 32 -6.378 -4.476 10.735 1.00 1.67 H new ATOM 0 HA GLN A 32 -7.403 -5.691 8.411 1.00 1.66 H new ATOM 0 HB2 GLN A 32 -8.623 -3.788 10.437 1.00 1.78 H new ATOM 0 HB3 GLN A 32 -9.546 -4.660 9.230 1.00 1.78 H new ATOM 0 HG2 GLN A 32 -8.687 -6.815 10.195 1.00 1.93 H new ATOM 0 HG3 GLN A 32 -7.884 -5.895 11.452 1.00 1.93 H new ATOM 0 HE21 GLN A 32 -11.035 -6.860 10.238 1.00 2.75 H new ATOM 0 HE22 GLN A 32 -11.894 -6.406 11.713 1.00 2.75 H new ATOM 564 N ILE A 33 -8.450 -3.684 6.965 1.00 1.56 N ATOM 565 CA ILE A 33 -8.544 -2.713 5.854 1.00 1.51 C ATOM 566 C ILE A 33 -8.581 -1.245 6.286 1.00 1.50 C ATOM 567 O ILE A 33 -7.744 -0.465 5.821 1.00 1.47 O ATOM 568 CB ILE A 33 -9.819 -2.955 5.011 1.00 1.53 C ATOM 569 CG1 ILE A 33 -10.139 -4.447 4.899 1.00 1.90 C ATOM 570 CG2 ILE A 33 -9.661 -2.342 3.629 1.00 2.04 C ATOM 571 CD1 ILE A 33 -11.344 -4.860 5.713 1.00 2.36 C ATOM 0 H ILE A 33 -9.165 -4.411 6.947 1.00 1.56 H new ATOM 0 HA ILE A 33 -7.630 -2.883 5.285 1.00 1.51 H new ATOM 0 HB ILE A 33 -10.654 -2.472 5.519 1.00 1.53 H new ATOM 0 HG12 ILE A 33 -10.312 -4.697 3.852 1.00 1.90 H new ATOM 0 HG13 ILE A 33 -9.273 -5.023 5.225 1.00 1.90 H new ATOM 0 HG21 ILE A 33 -10.565 -2.520 3.047 1.00 2.04 H new ATOM 0 HG22 ILE A 33 -9.495 -1.269 3.724 1.00 2.04 H new ATOM 0 HG23 ILE A 33 -8.809 -2.797 3.124 1.00 2.04 H new ATOM 0 HD11 ILE A 33 -11.517 -5.929 5.590 1.00 2.36 H new ATOM 0 HD12 ILE A 33 -11.165 -4.640 6.765 1.00 2.36 H new ATOM 0 HD13 ILE A 33 -12.220 -4.309 5.371 1.00 2.36 H new ATOM 583 N ASN A 34 -9.508 -0.887 7.187 1.00 1.56 N ATOM 584 CA ASN A 34 -9.650 0.499 7.682 1.00 1.58 C ATOM 585 C ASN A 34 -9.378 1.540 6.574 1.00 1.57 C ATOM 586 O ASN A 34 -8.290 2.115 6.492 1.00 1.91 O ATOM 587 CB ASN A 34 -8.715 0.720 8.872 1.00 1.60 C ATOM 588 CG ASN A 34 -9.167 -0.042 10.110 1.00 1.73 C ATOM 589 OD1 ASN A 34 -9.744 -1.126 10.014 1.00 2.14 O ATOM 590 ND2 ASN A 34 -8.913 0.526 11.280 1.00 2.10 N ATOM 0 H ASN A 34 -10.177 -1.541 7.593 1.00 1.56 H new ATOM 0 HA ASN A 34 -10.683 0.638 8.002 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -7.707 0.406 8.602 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -8.667 1.785 9.101 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -9.198 0.064 12.144 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -8.433 1.425 11.317 1.00 2.10 H new ATOM 597 N LEU A 35 -10.382 1.773 5.736 1.00 1.38 N ATOM 598 CA LEU A 35 -10.261 2.692 4.597 1.00 1.34 C ATOM 599 C LEU A 35 -10.040 4.159 4.995 1.00 1.32 C ATOM 600 O LEU A 35 -9.044 4.762 4.588 1.00 1.28 O ATOM 601 CB LEU A 35 -11.501 2.578 3.701 1.00 1.40 C ATOM 602 CG LEU A 35 -11.351 3.135 2.276 1.00 1.43 C ATOM 603 CD1 LEU A 35 -11.547 4.642 2.259 1.00 1.47 C ATOM 604 CD2 LEU A 35 -9.996 2.776 1.688 1.00 1.52 C ATOM 0 H LEU A 35 -11.300 1.336 5.821 1.00 1.38 H new ATOM 0 HA LEU A 35 -9.365 2.386 4.056 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -11.781 1.527 3.632 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -12.327 3.096 4.188 1.00 1.40 H new ATOM 0 HG LEU A 35 -12.125 2.677 1.660 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -11.436 5.012 1.240 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -12.545 4.883 2.626 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -10.801 5.113 2.899 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -9.918 3.183 0.680 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -9.206 3.196 2.311 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -9.891 1.692 1.651 1.00 1.52 H new ATOM 616 N TRP A 36 -10.970 4.731 5.760 1.00 1.37 N ATOM 617 CA TRP A 36 -10.883 6.139 6.176 1.00 1.37 C ATOM 618 C TRP A 36 -9.534 6.467 6.852 1.00 1.32 C ATOM 619 O TRP A 36 -9.082 7.610 6.810 1.00 1.31 O ATOM 620 CB TRP A 36 -12.049 6.493 7.112 1.00 1.45 C ATOM 621 CG TRP A 36 -12.295 5.472 8.185 1.00 1.50 C ATOM 622 CD1 TRP A 36 -12.912 4.262 8.039 1.00 1.55 C ATOM 623 CD2 TRP A 36 -11.943 5.576 9.570 1.00 1.53 C ATOM 624 NE1 TRP A 36 -12.939 3.599 9.239 1.00 1.61 N ATOM 625 CE2 TRP A 36 -12.355 4.386 10.196 1.00 1.60 C ATOM 626 CE3 TRP A 36 -11.312 6.557 10.338 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -12.156 4.152 11.554 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -11.117 6.325 11.687 1.00 1.61 C ATOM 629 CH2 TRP A 36 -11.537 5.130 12.282 1.00 1.66 C ATOM 0 H TRP A 36 -11.796 4.243 6.107 1.00 1.37 H new ATOM 0 HA TRP A 36 -10.949 6.747 5.274 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -11.848 7.457 7.580 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -12.956 6.610 6.519 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -13.319 3.883 7.113 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -13.331 2.670 9.394 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -10.982 7.481 9.886 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -12.479 3.231 12.016 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -10.633 7.078 12.291 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -11.369 4.977 13.338 1.00 1.66 H new ATOM 640 N THR A 37 -8.903 5.457 7.467 1.00 1.32 N ATOM 641 CA THR A 37 -7.610 5.623 8.157 1.00 1.29 C ATOM 642 C THR A 37 -6.435 5.744 7.182 1.00 1.23 C ATOM 643 O THR A 37 -5.664 6.693 7.299 1.00 1.21 O ATOM 644 CB THR A 37 -7.343 4.476 9.145 1.00 1.34 C ATOM 645 OG1 THR A 37 -8.359 4.433 10.122 1.00 1.41 O ATOM 646 CG2 THR A 37 -6.030 4.633 9.917 1.00 1.35 C ATOM 0 H THR A 37 -9.270 4.506 7.502 1.00 1.32 H new ATOM 0 HA THR A 37 -7.687 6.559 8.711 1.00 1.29 H new ATOM 0 HB THR A 37 -7.303 3.574 8.534 1.00 1.34 H new ATOM 0 HG1 THR A 37 -8.182 3.699 10.746 1.00 1.41 H new ATOM 0 HG21 THR A 37 -5.904 3.790 10.596 1.00 1.35 H new ATOM 0 HG22 THR A 37 -5.196 4.661 9.215 1.00 1.35 H new ATOM 0 HG23 THR A 37 -6.053 5.560 10.490 1.00 1.35 H new ATOM 654 N MET A 38 -6.293 4.853 6.189 1.00 1.20 N ATOM 655 CA MET A 38 -5.242 5.025 5.162 1.00 1.15 C ATOM 656 C MET A 38 -5.447 6.305 4.329 1.00 1.13 C ATOM 657 O MET A 38 -4.475 6.929 3.908 1.00 1.11 O ATOM 658 CB MET A 38 -5.067 3.790 4.262 1.00 1.14 C ATOM 659 CG MET A 38 -6.313 3.378 3.473 1.00 1.17 C ATOM 660 SD MET A 38 -5.965 2.447 1.955 1.00 1.17 S ATOM 661 CE MET A 38 -6.922 0.933 2.228 1.00 1.25 C ATOM 0 H MET A 38 -6.875 4.024 6.072 1.00 1.20 H new ATOM 0 HA MET A 38 -4.309 5.138 5.714 1.00 1.15 H new ATOM 0 HB2 MET A 38 -4.258 3.985 3.558 1.00 1.14 H new ATOM 0 HB3 MET A 38 -4.754 2.950 4.882 1.00 1.14 H new ATOM 0 HG2 MET A 38 -6.952 2.774 4.117 1.00 1.17 H new ATOM 0 HG3 MET A 38 -6.877 4.274 3.214 1.00 1.17 H new ATOM 0 HE1 MET A 38 -7.251 0.532 1.269 1.00 1.25 H new ATOM 0 HE2 MET A 38 -6.300 0.196 2.735 1.00 1.25 H new ATOM 0 HE3 MET A 38 -7.792 1.159 2.844 1.00 1.25 H new ATOM 671 N PHE A 39 -6.705 6.728 4.155 1.00 1.17 N ATOM 672 CA PHE A 39 -7.027 8.011 3.538 1.00 1.19 C ATOM 673 C PHE A 39 -6.522 9.195 4.363 1.00 1.20 C ATOM 674 O PHE A 39 -5.680 9.944 3.873 1.00 1.20 O ATOM 675 CB PHE A 39 -8.528 8.127 3.268 1.00 1.25 C ATOM 676 CG PHE A 39 -8.903 9.468 2.661 1.00 1.30 C ATOM 677 CD1 PHE A 39 -8.441 9.808 1.374 1.00 1.30 C ATOM 678 CD2 PHE A 39 -9.668 10.394 3.397 1.00 1.36 C ATOM 679 CE1 PHE A 39 -8.756 11.059 0.816 1.00 1.37 C ATOM 680 CE2 PHE A 39 -9.969 11.652 2.844 1.00 1.43 C ATOM 681 CZ PHE A 39 -9.510 11.985 1.557 1.00 1.44 C ATOM 0 H PHE A 39 -7.523 6.189 4.439 1.00 1.17 H new ATOM 0 HA PHE A 39 -6.504 8.046 2.583 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -8.837 7.327 2.595 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -9.074 7.987 4.201 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -7.843 9.105 0.814 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -10.023 10.138 4.384 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -8.419 11.308 -0.180 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -10.554 12.363 3.409 1.00 1.43 H new ATOM 0 HZ PHE A 39 -9.737 12.954 1.137 1.00 1.44 H new ATOM 691 N GLN A 40 -6.963 9.367 5.619 1.00 1.24 N ATOM 692 CA GLN A 40 -6.480 10.506 6.421 1.00 1.27 C ATOM 693 C GLN A 40 -4.960 10.453 6.680 1.00 1.25 C ATOM 694 O GLN A 40 -4.321 11.503 6.767 1.00 1.28 O ATOM 695 CB GLN A 40 -7.304 10.649 7.713 1.00 1.33 C ATOM 696 CG GLN A 40 -6.986 9.574 8.760 1.00 1.33 C ATOM 697 CD GLN A 40 -8.064 9.468 9.831 1.00 1.39 C ATOM 698 OE1 GLN A 40 -7.944 9.970 10.939 1.00 1.44 O ATOM 699 NE2 GLN A 40 -9.153 8.793 9.534 1.00 1.40 N ATOM 0 H GLN A 40 -7.630 8.756 6.090 1.00 1.24 H new ATOM 0 HA GLN A 40 -6.635 11.411 5.834 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -7.120 11.633 8.145 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -8.365 10.603 7.466 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -6.875 8.610 8.264 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -6.030 9.802 9.232 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -9.257 8.373 8.610 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -9.894 8.690 10.227 1.00 1.40 H new ATOM 708 N ALA A 41 -4.358 9.257 6.714 1.00 1.21 N ATOM 709 CA ALA A 41 -2.908 9.088 6.725 1.00 1.20 C ATOM 710 C ALA A 41 -2.261 9.628 5.441 1.00 1.18 C ATOM 711 O ALA A 41 -1.388 10.491 5.516 1.00 1.21 O ATOM 712 CB ALA A 41 -2.575 7.609 6.947 1.00 1.18 C ATOM 0 H ALA A 41 -4.872 8.376 6.735 1.00 1.21 H new ATOM 0 HA ALA A 41 -2.492 9.673 7.545 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -1.493 7.477 6.956 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -2.988 7.282 7.901 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -3.006 7.014 6.142 1.00 1.18 H new ATOM 718 N ALA A 42 -2.725 9.212 4.257 1.00 1.14 N ATOM 719 CA ALA A 42 -2.250 9.750 2.982 1.00 1.14 C ATOM 720 C ALA A 42 -2.425 11.273 2.883 1.00 1.20 C ATOM 721 O ALA A 42 -1.530 11.954 2.399 1.00 1.23 O ATOM 722 CB ALA A 42 -2.958 9.027 1.829 1.00 1.11 C ATOM 0 H ALA A 42 -3.441 8.492 4.158 1.00 1.14 H new ATOM 0 HA ALA A 42 -1.177 9.568 2.916 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -2.606 9.426 0.878 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -2.738 7.961 1.879 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -4.034 9.180 1.910 1.00 1.11 H new ATOM 728 N GLN A 43 -3.530 11.819 3.402 1.00 1.23 N ATOM 729 CA GLN A 43 -3.781 13.266 3.380 1.00 1.31 C ATOM 730 C GLN A 43 -2.832 14.042 4.318 1.00 1.35 C ATOM 731 O GLN A 43 -2.538 15.211 4.059 1.00 1.42 O ATOM 732 CB GLN A 43 -5.255 13.568 3.701 1.00 1.35 C ATOM 733 CG GLN A 43 -6.244 13.053 2.634 1.00 1.35 C ATOM 734 CD GLN A 43 -5.966 13.574 1.222 1.00 1.38 C ATOM 735 OE1 GLN A 43 -5.771 14.759 0.986 1.00 1.45 O ATOM 736 NE2 GLN A 43 -5.916 12.712 0.228 1.00 1.35 N ATOM 0 H GLN A 43 -4.271 11.276 3.846 1.00 1.23 H new ATOM 0 HA GLN A 43 -3.571 13.614 2.369 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -5.507 13.120 4.662 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -5.380 14.645 3.809 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -6.213 11.964 2.621 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -7.255 13.339 2.923 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -6.076 11.720 0.405 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -5.717 13.036 -0.719 1.00 1.35 H new ATOM 745 N LYS A 44 -2.293 13.375 5.350 1.00 1.33 N ATOM 746 CA LYS A 44 -1.237 13.952 6.197 1.00 1.39 C ATOM 747 C LYS A 44 0.125 13.854 5.511 1.00 1.39 C ATOM 748 O LYS A 44 0.846 14.849 5.421 1.00 1.45 O ATOM 749 CB LYS A 44 -1.255 13.238 7.560 1.00 1.39 C ATOM 750 CG LYS A 44 -0.364 13.934 8.598 1.00 1.47 C ATOM 751 CD LYS A 44 -0.281 13.163 9.921 1.00 1.49 C ATOM 752 CE LYS A 44 -1.663 12.903 10.541 1.00 1.49 C ATOM 753 NZ LYS A 44 -1.535 12.306 11.894 1.00 1.53 N ATOM 0 H LYS A 44 -2.572 12.432 5.619 1.00 1.33 H new ATOM 0 HA LYS A 44 -1.424 15.014 6.357 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -2.279 13.198 7.932 1.00 1.39 H new ATOM 0 HB3 LYS A 44 -0.922 12.208 7.432 1.00 1.39 H new ATOM 0 HG2 LYS A 44 0.639 14.053 8.188 1.00 1.47 H new ATOM 0 HG3 LYS A 44 -0.751 14.935 8.789 1.00 1.47 H new ATOM 0 HD2 LYS A 44 0.222 12.211 9.752 1.00 1.49 H new ATOM 0 HD3 LYS A 44 0.330 13.725 10.627 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -2.219 13.838 10.603 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -2.235 12.234 9.897 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -2.363 11.708 12.089 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 -0.672 11.727 11.938 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 -1.480 13.064 12.604 1.00 1.53 H new ATOM 767 N LEU A 45 0.425 12.678 4.956 1.00 1.32 N ATOM 768 CA LEU A 45 1.628 12.465 4.139 1.00 1.32 C ATOM 769 C LEU A 45 1.571 13.123 2.720 1.00 1.34 C ATOM 770 O LEU A 45 2.434 12.838 1.887 1.00 1.34 O ATOM 771 CB LEU A 45 1.987 10.948 4.139 1.00 1.27 C ATOM 772 CG LEU A 45 2.562 10.296 5.434 1.00 1.30 C ATOM 773 CD1 LEU A 45 3.658 11.150 6.076 1.00 1.39 C ATOM 774 CD2 LEU A 45 1.525 9.988 6.512 1.00 1.29 C ATOM 0 H LEU A 45 -0.156 11.846 5.058 1.00 1.32 H new ATOM 0 HA LEU A 45 2.454 13.004 4.603 1.00 1.32 H new ATOM 0 HB2 LEU A 45 1.085 10.399 3.869 1.00 1.27 H new ATOM 0 HB3 LEU A 45 2.711 10.783 3.341 1.00 1.27 H new ATOM 0 HG LEU A 45 2.967 9.350 5.074 1.00 1.30 H new ATOM 0 HD11 LEU A 45 4.027 10.654 6.974 1.00 1.39 H new ATOM 0 HD12 LEU A 45 4.479 11.280 5.370 1.00 1.39 H new ATOM 0 HD13 LEU A 45 3.250 12.125 6.342 1.00 1.39 H new ATOM 0 HD21 LEU A 45 2.018 9.537 7.373 1.00 1.29 H new ATOM 0 HD22 LEU A 45 1.033 10.911 6.818 1.00 1.29 H new ATOM 0 HD23 LEU A 45 0.783 9.295 6.115 1.00 1.29 H new ATOM 786 N GLY A 46 0.603 14.021 2.449 1.00 1.36 N ATOM 787 CA GLY A 46 0.651 14.882 1.235 1.00 1.42 C ATOM 788 C GLY A 46 -0.270 14.506 0.057 1.00 1.40 C ATOM 789 O GLY A 46 0.006 14.844 -1.098 1.00 1.44 O ATOM 0 H GLY A 46 -0.214 14.173 3.041 1.00 1.36 H new ATOM 0 HA2 GLY A 46 0.412 15.902 1.537 1.00 1.42 H new ATOM 0 HA3 GLY A 46 1.678 14.890 0.869 1.00 1.42 H new ATOM 793 N GLY A 47 -1.357 13.806 0.375 1.00 1.34 N ATOM 794 CA GLY A 47 -2.232 13.176 -0.611 1.00 1.32 C ATOM 795 C GLY A 47 -1.534 12.128 -1.482 1.00 1.28 C ATOM 796 O GLY A 47 -0.309 11.973 -1.468 1.00 1.27 O ATOM 0 H GLY A 47 -1.659 13.659 1.338 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -3.067 12.705 -0.092 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -2.652 13.948 -1.256 1.00 1.32 H new ATOM 800 N TYR A 48 -2.329 11.436 -2.302 1.00 1.27 N ATOM 801 CA TYR A 48 -1.795 10.535 -3.335 1.00 1.26 C ATOM 802 C TYR A 48 -0.759 11.199 -4.268 1.00 1.32 C ATOM 803 O TYR A 48 0.067 10.511 -4.868 1.00 1.31 O ATOM 804 CB TYR A 48 -2.966 9.953 -4.134 1.00 1.28 C ATOM 805 CG TYR A 48 -2.610 8.738 -4.973 1.00 1.26 C ATOM 806 CD1 TYR A 48 -2.533 7.469 -4.369 1.00 1.20 C ATOM 807 CD2 TYR A 48 -2.367 8.873 -6.355 1.00 1.33 C ATOM 808 CE1 TYR A 48 -2.251 6.328 -5.144 1.00 1.21 C ATOM 809 CE2 TYR A 48 -2.065 7.738 -7.130 1.00 1.33 C ATOM 810 CZ TYR A 48 -2.018 6.462 -6.529 1.00 1.27 C ATOM 811 OH TYR A 48 -1.753 5.370 -7.293 1.00 1.29 O ATOM 0 H TYR A 48 -3.348 11.480 -2.273 1.00 1.27 H new ATOM 0 HA TYR A 48 -1.248 9.741 -2.827 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -3.763 9.681 -3.442 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -3.364 10.728 -4.789 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -2.691 7.370 -3.305 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -2.413 9.847 -6.819 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -2.213 5.354 -4.680 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -1.869 7.844 -8.187 1.00 1.33 H new ATOM 0 HH TYR A 48 -1.619 5.646 -8.224 1.00 1.29 H new ATOM 821 N GLU A 49 -0.758 12.532 -4.378 1.00 1.39 N ATOM 822 CA GLU A 49 0.144 13.240 -5.299 1.00 1.47 C ATOM 823 C GLU A 49 1.578 13.336 -4.766 1.00 1.46 C ATOM 824 O GLU A 49 2.515 12.973 -5.483 1.00 1.48 O ATOM 825 CB GLU A 49 -0.417 14.634 -5.609 1.00 1.57 C ATOM 826 CG GLU A 49 -1.600 14.525 -6.581 1.00 1.61 C ATOM 827 CD GLU A 49 -2.327 15.869 -6.733 1.00 1.71 C ATOM 828 OE1 GLU A 49 -1.785 16.803 -7.372 1.00 1.80 O ATOM 829 OE2 GLU A 49 -3.468 15.978 -6.224 1.00 1.72 O ATOM 0 H GLU A 49 -1.372 13.145 -3.841 1.00 1.39 H new ATOM 0 HA GLU A 49 0.196 12.657 -6.218 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -0.738 15.118 -4.687 1.00 1.57 H new ATOM 0 HB3 GLU A 49 0.363 15.260 -6.043 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -1.243 14.191 -7.555 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -2.299 13.770 -6.222 1.00 1.61 H new ATOM 836 N THR A 50 1.776 13.729 -3.500 1.00 1.44 N ATOM 837 CA THR A 50 3.096 13.634 -2.852 1.00 1.45 C ATOM 838 C THR A 50 3.520 12.173 -2.725 1.00 1.37 C ATOM 839 O THR A 50 4.686 11.847 -2.949 1.00 1.40 O ATOM 840 CB THR A 50 3.127 14.305 -1.471 1.00 1.46 C ATOM 841 OG1 THR A 50 2.727 15.656 -1.579 1.00 1.54 O ATOM 842 CG2 THR A 50 4.525 14.325 -0.846 1.00 1.50 C ATOM 0 H THR A 50 1.043 14.115 -2.904 1.00 1.44 H new ATOM 0 HA THR A 50 3.799 14.170 -3.490 1.00 1.45 H new ATOM 0 HB THR A 50 2.455 13.718 -0.845 1.00 1.46 H new ATOM 0 HG1 THR A 50 1.755 15.719 -1.468 1.00 1.54 H new ATOM 0 HG21 THR A 50 4.481 14.812 0.128 1.00 1.50 H new ATOM 0 HG22 THR A 50 4.884 13.303 -0.725 1.00 1.50 H new ATOM 0 HG23 THR A 50 5.206 14.874 -1.496 1.00 1.50 H new ATOM 850 N ILE A 51 2.569 11.273 -2.452 1.00 1.30 N ATOM 851 CA ILE A 51 2.827 9.827 -2.442 1.00 1.24 C ATOM 852 C ILE A 51 3.415 9.332 -3.774 1.00 1.27 C ATOM 853 O ILE A 51 4.399 8.597 -3.767 1.00 1.27 O ATOM 854 CB ILE A 51 1.531 9.089 -2.009 1.00 1.18 C ATOM 855 CG1 ILE A 51 1.587 8.666 -0.529 1.00 1.14 C ATOM 856 CG2 ILE A 51 1.179 7.867 -2.865 1.00 1.15 C ATOM 857 CD1 ILE A 51 1.473 9.854 0.438 1.00 1.17 C ATOM 0 H ILE A 51 1.605 11.523 -2.233 1.00 1.30 H new ATOM 0 HA ILE A 51 3.601 9.596 -1.710 1.00 1.24 H new ATOM 0 HB ILE A 51 0.741 9.824 -2.161 1.00 1.18 H new ATOM 0 HG12 ILE A 51 0.780 7.961 -0.327 1.00 1.14 H new ATOM 0 HG13 ILE A 51 2.523 8.141 -0.342 1.00 1.14 H new ATOM 0 HG21 ILE A 51 0.261 7.414 -2.492 1.00 1.15 H new ATOM 0 HG22 ILE A 51 1.036 8.177 -3.900 1.00 1.15 H new ATOM 0 HG23 ILE A 51 1.990 7.140 -2.813 1.00 1.15 H new ATOM 0 HD11 ILE A 51 1.519 9.493 1.465 1.00 1.17 H new ATOM 0 HD12 ILE A 51 2.295 10.548 0.260 1.00 1.17 H new ATOM 0 HD13 ILE A 51 0.524 10.366 0.275 1.00 1.17 H new ATOM 869 N THR A 52 2.859 9.757 -4.907 1.00 1.30 N ATOM 870 CA THR A 52 3.360 9.345 -6.232 1.00 1.35 C ATOM 871 C THR A 52 4.680 10.027 -6.582 1.00 1.42 C ATOM 872 O THR A 52 5.568 9.384 -7.145 1.00 1.45 O ATOM 873 CB THR A 52 2.298 9.615 -7.308 1.00 1.39 C ATOM 874 OG1 THR A 52 1.158 8.842 -7.000 1.00 1.34 O ATOM 875 CG2 THR A 52 2.726 9.187 -8.713 1.00 1.45 C ATOM 0 H THR A 52 2.059 10.388 -4.942 1.00 1.30 H new ATOM 0 HA THR A 52 3.558 8.274 -6.194 1.00 1.35 H new ATOM 0 HB THR A 52 2.123 10.691 -7.308 1.00 1.39 H new ATOM 0 HG1 THR A 52 0.649 9.280 -6.286 1.00 1.34 H new ATOM 0 HG21 THR A 52 1.926 9.408 -9.420 1.00 1.45 H new ATOM 0 HG22 THR A 52 3.626 9.731 -9.001 1.00 1.45 H new ATOM 0 HG23 THR A 52 2.931 8.117 -8.721 1.00 1.45 H new ATOM 883 N ALA A 53 4.852 11.290 -6.186 1.00 1.47 N ATOM 884 CA ALA A 53 6.111 12.008 -6.379 1.00 1.55 C ATOM 885 C ALA A 53 7.273 11.487 -5.503 1.00 1.54 C ATOM 886 O ALA A 53 8.433 11.710 -5.867 1.00 1.61 O ATOM 887 CB ALA A 53 5.849 13.497 -6.107 1.00 1.61 C ATOM 0 H ALA A 53 4.127 11.840 -5.725 1.00 1.47 H new ATOM 0 HA ALA A 53 6.439 11.843 -7.405 1.00 1.55 H new ATOM 0 HB1 ALA A 53 6.772 14.060 -6.243 1.00 1.61 H new ATOM 0 HB2 ALA A 53 5.093 13.866 -6.800 1.00 1.61 H new ATOM 0 HB3 ALA A 53 5.495 13.623 -5.084 1.00 1.61 H new ATOM 893 N ARG A 54 6.988 10.806 -4.375 1.00 1.47 N ATOM 894 CA ARG A 54 8.036 10.483 -3.372 1.00 1.49 C ATOM 895 C ARG A 54 8.076 9.031 -2.869 1.00 1.44 C ATOM 896 O ARG A 54 9.006 8.686 -2.141 1.00 1.48 O ATOM 897 CB ARG A 54 7.874 11.425 -2.159 1.00 1.51 C ATOM 898 CG ARG A 54 8.006 12.933 -2.443 1.00 1.59 C ATOM 899 CD ARG A 54 9.400 13.362 -2.930 1.00 1.68 C ATOM 900 NE ARG A 54 10.467 13.045 -1.956 1.00 1.72 N ATOM 901 CZ ARG A 54 10.795 13.726 -0.871 1.00 1.77 C ATOM 902 NH1 ARG A 54 10.182 14.822 -0.520 1.00 1.79 N ATOM 903 NH2 ARG A 54 11.764 13.313 -0.107 1.00 1.82 N ATOM 0 H ARG A 54 6.056 10.471 -4.133 1.00 1.47 H new ATOM 0 HA ARG A 54 8.980 10.624 -3.899 1.00 1.49 H new ATOM 0 HB2 ARG A 54 6.895 11.245 -1.715 1.00 1.51 H new ATOM 0 HB3 ARG A 54 8.619 11.151 -1.412 1.00 1.51 H new ATOM 0 HG2 ARG A 54 7.268 13.216 -3.194 1.00 1.59 H new ATOM 0 HG3 ARG A 54 7.765 13.485 -1.535 1.00 1.59 H new ATOM 0 HD2 ARG A 54 9.618 12.867 -3.876 1.00 1.68 H new ATOM 0 HD3 ARG A 54 9.398 14.434 -3.125 1.00 1.68 H new ATOM 0 HE ARG A 54 11.013 12.204 -2.143 1.00 1.72 H new ATOM 0 HH11 ARG A 54 9.418 15.184 -1.091 1.00 1.79 H new ATOM 0 HH12 ARG A 54 10.466 15.317 0.325 1.00 1.79 H new ATOM 0 HH21 ARG A 54 12.273 12.462 -0.344 1.00 1.82 H new ATOM 0 HH22 ARG A 54 12.014 13.841 0.729 1.00 1.82 H new ATOM 917 N ARG A 55 7.107 8.179 -3.237 1.00 1.37 N ATOM 918 CA ARG A 55 6.881 6.831 -2.654 1.00 1.32 C ATOM 919 C ARG A 55 6.804 6.927 -1.127 1.00 1.31 C ATOM 920 O ARG A 55 7.536 6.287 -0.372 1.00 1.35 O ATOM 921 CB ARG A 55 7.889 5.796 -3.214 1.00 1.37 C ATOM 922 CG ARG A 55 8.100 5.875 -4.743 1.00 1.40 C ATOM 923 CD ARG A 55 6.817 5.730 -5.583 1.00 1.35 C ATOM 924 NE ARG A 55 6.772 6.710 -6.690 1.00 1.40 N ATOM 925 CZ ARG A 55 7.346 6.630 -7.874 1.00 1.46 C ATOM 926 NH1 ARG A 55 8.062 5.606 -8.247 1.00 1.49 N ATOM 927 NH2 ARG A 55 7.203 7.614 -8.713 1.00 1.51 N ATOM 0 H ARG A 55 6.435 8.408 -3.969 1.00 1.37 H new ATOM 0 HA ARG A 55 5.912 6.442 -2.967 1.00 1.32 H new ATOM 0 HB2 ARG A 55 8.850 5.938 -2.719 1.00 1.37 H new ATOM 0 HB3 ARG A 55 7.543 4.795 -2.958 1.00 1.37 H new ATOM 0 HG2 ARG A 55 8.567 6.830 -4.982 1.00 1.40 H new ATOM 0 HG3 ARG A 55 8.801 5.095 -5.039 1.00 1.40 H new ATOM 0 HD2 ARG A 55 6.761 4.720 -5.989 1.00 1.35 H new ATOM 0 HD3 ARG A 55 5.946 5.865 -4.942 1.00 1.35 H new ATOM 0 HE ARG A 55 6.228 7.555 -6.515 1.00 1.40 H new ATOM 0 HH11 ARG A 55 8.198 4.820 -7.611 1.00 1.49 H new ATOM 0 HH12 ARG A 55 8.486 5.591 -9.175 1.00 1.49 H new ATOM 0 HH21 ARG A 55 6.653 8.432 -8.451 1.00 1.51 H new ATOM 0 HH22 ARG A 55 7.641 7.567 -9.633 1.00 1.51 H new ATOM 941 N GLN A 56 5.872 7.788 -0.711 1.00 1.28 N ATOM 942 CA GLN A 56 5.724 8.163 0.701 1.00 1.29 C ATOM 943 C GLN A 56 4.887 7.145 1.507 1.00 1.24 C ATOM 944 O GLN A 56 4.710 7.333 2.710 1.00 1.25 O ATOM 945 CB GLN A 56 5.157 9.593 0.812 1.00 1.30 C ATOM 946 CG GLN A 56 5.758 10.418 1.965 1.00 1.37 C ATOM 947 CD GLN A 56 7.050 11.136 1.567 1.00 1.46 C ATOM 948 OE1 GLN A 56 8.216 10.680 1.973 1.00 1.49 O flip ATOM 949 NE2 GLN A 56 7.034 12.145 0.878 1.00 1.51 N flip ATOM 0 H GLN A 56 5.204 8.242 -1.334 1.00 1.28 H new ATOM 0 HA GLN A 56 6.716 8.147 1.152 1.00 1.29 H new ATOM 0 HB2 GLN A 56 5.335 10.117 -0.127 1.00 1.30 H new ATOM 0 HB3 GLN A 56 4.077 9.535 0.945 1.00 1.30 H new ATOM 0 HG2 GLN A 56 5.027 11.154 2.300 1.00 1.37 H new ATOM 0 HG3 GLN A 56 5.958 9.760 2.811 1.00 1.37 H new ATOM 0 HE21 GLN A 56 6.146 12.523 0.548 1.00 1.51 H new ATOM 0 HE22 GLN A 56 7.909 12.609 0.633 1.00 1.51 H new ATOM 958 N TRP A 57 4.406 6.047 0.898 1.00 1.19 N ATOM 959 CA TRP A 57 3.701 4.962 1.603 1.00 1.17 C ATOM 960 C TRP A 57 4.493 4.385 2.778 1.00 1.24 C ATOM 961 O TRP A 57 3.895 4.032 3.790 1.00 1.24 O ATOM 962 CB TRP A 57 3.289 3.836 0.649 1.00 1.15 C ATOM 963 CG TRP A 57 2.184 4.188 -0.283 1.00 1.11 C ATOM 964 CD1 TRP A 57 2.322 4.575 -1.568 1.00 1.11 C ATOM 965 CD2 TRP A 57 0.753 4.190 -0.003 1.00 1.07 C ATOM 966 NE1 TRP A 57 1.074 4.845 -2.091 1.00 1.09 N ATOM 967 CE2 TRP A 57 0.070 4.641 -1.171 1.00 1.07 C ATOM 968 CE3 TRP A 57 -0.035 3.876 1.123 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -1.322 4.802 -1.209 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -1.432 4.016 1.095 1.00 1.06 C ATOM 971 CH2 TRP A 57 -2.070 4.483 -0.065 1.00 1.06 C ATOM 0 H TRP A 57 4.496 5.886 -0.105 1.00 1.19 H new ATOM 0 HA TRP A 57 2.804 5.425 2.014 1.00 1.17 H new ATOM 0 HB2 TRP A 57 4.159 3.537 0.064 1.00 1.15 H new ATOM 0 HB3 TRP A 57 2.988 2.970 1.238 1.00 1.15 H new ATOM 0 HD1 TRP A 57 3.258 4.660 -2.101 1.00 1.11 H new ATOM 0 HE1 TRP A 57 0.914 5.159 -3.048 1.00 1.09 H new ATOM 0 HE3 TRP A 57 0.444 3.521 2.023 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -1.810 5.165 -2.102 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -2.017 3.764 1.967 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -3.144 4.598 -0.077 1.00 1.06 H new ATOM 982 N LYS A 58 5.814 4.379 2.733 1.00 1.32 N ATOM 983 CA LYS A 58 6.564 3.892 3.892 1.00 1.42 C ATOM 984 C LYS A 58 6.321 4.815 5.102 1.00 1.43 C ATOM 985 O LYS A 58 6.419 4.391 6.254 1.00 1.51 O ATOM 986 CB LYS A 58 8.059 3.761 3.580 1.00 1.54 C ATOM 987 CG LYS A 58 8.385 2.552 2.709 1.00 1.98 C ATOM 988 CD LYS A 58 7.480 1.373 3.028 1.00 2.07 C ATOM 989 CE LYS A 58 7.844 0.149 2.216 1.00 2.58 C ATOM 990 NZ LYS A 58 6.806 -0.911 2.321 1.00 2.89 N ATOM 0 H LYS A 58 6.378 4.691 1.942 1.00 1.32 H new ATOM 0 HA LYS A 58 6.204 2.894 4.140 1.00 1.42 H new ATOM 0 HB2 LYS A 58 8.400 4.666 3.077 1.00 1.54 H new ATOM 0 HB3 LYS A 58 8.614 3.688 4.515 1.00 1.54 H new ATOM 0 HG2 LYS A 58 8.277 2.820 1.658 1.00 1.98 H new ATOM 0 HG3 LYS A 58 9.425 2.264 2.860 1.00 1.98 H new ATOM 0 HD2 LYS A 58 7.550 1.138 4.090 1.00 2.07 H new ATOM 0 HD3 LYS A 58 6.444 1.646 2.829 1.00 2.07 H new ATOM 0 HE2 LYS A 58 7.972 0.431 1.171 1.00 2.58 H new ATOM 0 HE3 LYS A 58 8.801 -0.244 2.559 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 7.114 -1.752 1.793 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 6.666 -1.162 3.321 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 5.911 -0.561 1.923 1.00 2.89 H new ATOM 1004 N HIS A 59 6.025 6.087 4.814 1.00 1.39 N ATOM 1005 CA HIS A 59 5.721 7.093 5.841 1.00 1.40 C ATOM 1006 C HIS A 59 4.269 6.932 6.345 1.00 1.32 C ATOM 1007 O HIS A 59 3.973 7.208 7.505 1.00 1.35 O ATOM 1008 CB HIS A 59 6.018 8.492 5.300 1.00 1.43 C ATOM 1009 CG HIS A 59 7.428 8.612 4.791 1.00 1.58 C ATOM 1010 ND1 HIS A 59 8.042 8.020 3.735 1.00 1.81 N flip ATOM 1011 CD2 HIS A 59 8.391 9.379 5.408 1.00 1.59 C flip ATOM 1012 CE1 HIS A 59 9.348 8.432 3.735 1.00 1.93 C flip ATOM 1013 NE2 HIS A 59 9.535 9.253 4.754 1.00 1.79 N flip ATOM 0 H HIS A 59 5.989 6.450 3.861 1.00 1.39 H new ATOM 0 HA HIS A 59 6.364 6.942 6.708 1.00 1.40 H new ATOM 0 HB2 HIS A 59 5.321 8.725 4.495 1.00 1.43 H new ATOM 0 HB3 HIS A 59 5.853 9.228 6.087 1.00 1.43 H new ATOM 0 HD2 HIS A 59 8.237 9.987 6.287 1.00 1.59 H new ATOM 0 HE1 HIS A 59 10.101 8.135 3.020 1.00 1.93 H new ATOM 0 HE2 HIS A 59 10.413 9.712 4.996 1.00 1.79 H new ATOM 1022 N ILE A 60 3.365 6.539 5.438 1.00 1.23 N ATOM 1023 CA ILE A 60 1.974 6.211 5.784 1.00 1.20 C ATOM 1024 C ILE A 60 2.021 5.005 6.719 1.00 1.27 C ATOM 1025 O ILE A 60 1.396 5.059 7.766 1.00 1.33 O ATOM 1026 CB ILE A 60 1.083 5.980 4.543 1.00 1.15 C ATOM 1027 CG1 ILE A 60 0.851 7.343 3.853 1.00 1.14 C ATOM 1028 CG2 ILE A 60 -0.255 5.320 4.933 1.00 1.18 C ATOM 1029 CD1 ILE A 60 0.158 7.248 2.492 1.00 1.14 C ATOM 0 H ILE A 60 3.576 6.439 4.445 1.00 1.23 H new ATOM 0 HA ILE A 60 1.502 7.056 6.286 1.00 1.20 H new ATOM 0 HB ILE A 60 1.581 5.298 3.854 1.00 1.15 H new ATOM 0 HG12 ILE A 60 0.251 7.973 4.510 1.00 1.14 H new ATOM 0 HG13 ILE A 60 1.812 7.841 3.725 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -0.861 5.170 4.039 1.00 1.18 H new ATOM 0 HG22 ILE A 60 -0.062 4.357 5.406 1.00 1.18 H new ATOM 0 HG23 ILE A 60 -0.790 5.966 5.630 1.00 1.18 H new ATOM 0 HD11 ILE A 60 0.033 8.248 2.077 1.00 1.14 H new ATOM 0 HD12 ILE A 60 0.766 6.647 1.815 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -0.819 6.781 2.613 1.00 1.14 H new ATOM 1041 N TYR A 61 2.846 3.991 6.433 1.00 1.31 N ATOM 1042 CA TYR A 61 3.156 2.892 7.361 1.00 1.43 C ATOM 1043 C TYR A 61 3.641 3.393 8.741 1.00 1.53 C ATOM 1044 O TYR A 61 3.349 2.780 9.769 1.00 1.64 O ATOM 1045 CB TYR A 61 4.185 1.965 6.696 1.00 1.46 C ATOM 1046 CG TYR A 61 4.758 0.866 7.572 1.00 1.62 C ATOM 1047 CD1 TYR A 61 4.045 -0.334 7.776 1.00 1.68 C ATOM 1048 CD2 TYR A 61 6.030 1.035 8.153 1.00 1.73 C ATOM 1049 CE1 TYR A 61 4.605 -1.365 8.556 1.00 1.84 C ATOM 1050 CE2 TYR A 61 6.593 0.006 8.932 1.00 1.89 C ATOM 1051 CZ TYR A 61 5.884 -1.197 9.133 1.00 1.94 C ATOM 1052 OH TYR A 61 6.451 -2.187 9.875 1.00 2.11 O ATOM 0 H TYR A 61 3.326 3.908 5.537 1.00 1.31 H new ATOM 0 HA TYR A 61 2.240 2.338 7.564 1.00 1.43 H new ATOM 0 HB2 TYR A 61 3.718 1.502 5.826 1.00 1.46 H new ATOM 0 HB3 TYR A 61 5.010 2.576 6.328 1.00 1.46 H new ATOM 0 HD1 TYR A 61 3.068 -0.463 7.334 1.00 1.68 H new ATOM 0 HD2 TYR A 61 6.574 1.955 8.001 1.00 1.73 H new ATOM 0 HE1 TYR A 61 4.057 -2.283 8.713 1.00 1.84 H new ATOM 0 HE2 TYR A 61 7.569 0.138 9.376 1.00 1.89 H new ATOM 0 HH TYR A 61 7.332 -1.896 10.191 1.00 2.11 H new ATOM 1062 N ASP A 62 4.319 4.546 8.748 1.00 1.52 N ATOM 1063 CA ASP A 62 4.712 5.221 9.996 1.00 1.62 C ATOM 1064 C ASP A 62 3.492 5.745 10.776 1.00 1.61 C ATOM 1065 O ASP A 62 3.321 5.407 11.949 1.00 1.72 O ATOM 1066 CB ASP A 62 5.787 6.297 9.783 1.00 1.65 C ATOM 1067 CG ASP A 62 6.403 6.727 11.124 1.00 1.79 C ATOM 1068 OD1 ASP A 62 7.246 5.979 11.672 1.00 1.92 O ATOM 1069 OD2 ASP A 62 6.056 7.822 11.631 1.00 1.79 O ATOM 0 H ASP A 62 4.609 5.035 7.901 1.00 1.52 H new ATOM 0 HA ASP A 62 5.181 4.461 10.622 1.00 1.62 H new ATOM 0 HB2 ASP A 62 6.567 5.913 9.126 1.00 1.65 H new ATOM 0 HB3 ASP A 62 5.348 7.162 9.285 1.00 1.65 H new ATOM 1074 N GLU A 63 2.596 6.486 10.118 1.00 1.50 N ATOM 1075 CA GLU A 63 1.315 6.891 10.723 1.00 1.50 C ATOM 1076 C GLU A 63 0.378 5.709 11.085 1.00 1.56 C ATOM 1077 O GLU A 63 -0.290 5.759 12.120 1.00 1.66 O ATOM 1078 CB GLU A 63 0.622 7.891 9.783 1.00 1.41 C ATOM 1079 CG GLU A 63 -0.706 8.457 10.312 1.00 1.44 C ATOM 1080 CD GLU A 63 -0.585 9.203 11.653 1.00 1.53 C ATOM 1081 OE1 GLU A 63 0.339 10.033 11.817 1.00 1.53 O ATOM 1082 OE2 GLU A 63 -1.474 9.051 12.525 1.00 1.61 O ATOM 0 H GLU A 63 2.731 6.820 9.164 1.00 1.50 H new ATOM 0 HA GLU A 63 1.540 7.360 11.681 1.00 1.50 H new ATOM 0 HB2 GLU A 63 1.303 8.720 9.591 1.00 1.41 H new ATOM 0 HB3 GLU A 63 0.437 7.402 8.827 1.00 1.41 H new ATOM 0 HG2 GLU A 63 -1.121 9.136 9.567 1.00 1.44 H new ATOM 0 HG3 GLU A 63 -1.417 7.638 10.427 1.00 1.44 H new ATOM 1089 N LEU A 64 0.349 4.627 10.291 1.00 1.54 N ATOM 1090 CA LEU A 64 -0.381 3.383 10.598 1.00 1.64 C ATOM 1091 C LEU A 64 0.164 2.682 11.857 1.00 1.79 C ATOM 1092 O LEU A 64 -0.569 1.934 12.508 1.00 1.90 O ATOM 1093 CB LEU A 64 -0.322 2.379 9.419 1.00 1.59 C ATOM 1094 CG LEU A 64 -0.981 2.796 8.093 1.00 1.48 C ATOM 1095 CD1 LEU A 64 -0.833 1.679 7.059 1.00 1.46 C ATOM 1096 CD2 LEU A 64 -2.464 3.143 8.245 1.00 1.53 C ATOM 0 H LEU A 64 0.842 4.590 9.399 1.00 1.54 H new ATOM 0 HA LEU A 64 -1.413 3.685 10.775 1.00 1.64 H new ATOM 0 HB2 LEU A 64 0.726 2.158 9.218 1.00 1.59 H new ATOM 0 HB3 LEU A 64 -0.786 1.449 9.747 1.00 1.59 H new ATOM 0 HG LEU A 64 -0.465 3.697 7.761 1.00 1.48 H new ATOM 0 HD11 LEU A 64 -1.303 1.984 6.124 1.00 1.46 H new ATOM 0 HD12 LEU A 64 0.225 1.481 6.886 1.00 1.46 H new ATOM 0 HD13 LEU A 64 -1.315 0.774 7.429 1.00 1.46 H new ATOM 0 HD21 LEU A 64 -2.872 3.429 7.276 1.00 1.53 H new ATOM 0 HD22 LEU A 64 -3.004 2.275 8.624 1.00 1.53 H new ATOM 0 HD23 LEU A 64 -2.574 3.972 8.944 1.00 1.53 H new ATOM 1108 N GLY A 65 1.452 2.476 11.873 1.00 1.82 N ATOM 1109 CA GLY A 65 1.998 1.775 13.003 1.00 2.01 C ATOM 1110 C GLY A 65 3.193 0.958 12.606 1.00 2.12 C ATOM 1111 O GLY A 65 3.549 0.916 11.431 1.00 1.99 O ATOM 0 H GLY A 65 2.116 2.766 11.155 1.00 1.82 H new ATOM 0 HA2 GLY A 65 2.282 2.490 13.775 1.00 2.01 H new ATOM 0 HA3 GLY A 65 1.237 1.125 13.435 1.00 2.01 H new ATOM 1115 N GLY A 66 3.761 0.223 13.546 1.00 2.43 N ATOM 1116 CA GLY A 66 4.869 -0.647 13.179 1.00 2.61 C ATOM 1117 C GLY A 66 4.446 -2.114 12.993 1.00 2.81 C ATOM 1118 O GLY A 66 3.604 -2.630 13.737 1.00 3.02 O ATOM 0 H GLY A 66 3.490 0.207 14.529 1.00 2.43 H new ATOM 0 HA2 GLY A 66 5.318 -0.284 12.254 1.00 2.61 H new ATOM 0 HA3 GLY A 66 5.638 -0.591 13.950 1.00 2.61 H new ATOM 1122 N ASN A 67 5.041 -2.773 11.997 1.00 2.79 N ATOM 1123 CA ASN A 67 4.803 -4.198 11.695 1.00 3.02 C ATOM 1124 C ASN A 67 6.165 -4.890 11.558 1.00 3.12 C ATOM 1125 O ASN A 67 6.765 -4.865 10.483 1.00 2.83 O ATOM 1126 CB ASN A 67 3.986 -4.373 10.400 1.00 2.85 C ATOM 1127 CG ASN A 67 3.282 -5.729 10.295 1.00 3.14 C ATOM 1128 OD1 ASN A 67 2.195 -5.822 9.723 1.00 3.57 O ATOM 1129 ND2 ASN A 67 3.884 -6.784 10.835 1.00 3.34 N ATOM 0 H ASN A 67 5.711 -2.333 11.366 1.00 2.79 H new ATOM 0 HA ASN A 67 4.224 -4.645 12.503 1.00 3.02 H new ATOM 0 HB2 ASN A 67 3.240 -3.581 10.342 1.00 2.85 H new ATOM 0 HB3 ASN A 67 4.649 -4.250 9.543 1.00 2.85 H new ATOM 0 HD21 ASN A 67 3.446 -7.704 10.782 1.00 3.34 H new ATOM 0 HD22 ASN A 67 4.784 -6.674 11.302 1.00 3.34 H new ATOM 1136 N PRO A 68 6.672 -5.503 12.654 1.00 3.59 N ATOM 1137 CA PRO A 68 7.993 -6.165 12.678 1.00 3.82 C ATOM 1138 C PRO A 68 8.250 -7.188 11.555 1.00 3.69 C ATOM 1139 O PRO A 68 7.519 -8.170 11.410 1.00 3.80 O ATOM 1140 CB PRO A 68 8.020 -6.894 14.036 1.00 4.46 C ATOM 1141 CG PRO A 68 6.656 -6.749 14.630 1.00 4.52 C ATOM 1142 CD PRO A 68 6.005 -5.572 13.964 1.00 3.98 C ATOM 0 HA PRO A 68 8.768 -5.413 12.530 1.00 3.82 H new ATOM 0 HB2 PRO A 68 8.275 -7.946 13.905 1.00 4.46 H new ATOM 0 HB3 PRO A 68 8.776 -6.462 14.692 1.00 4.46 H new ATOM 0 HG2 PRO A 68 6.069 -7.654 14.472 1.00 4.52 H new ATOM 0 HG3 PRO A 68 6.720 -6.595 15.707 1.00 4.52 H new ATOM 0 HD2 PRO A 68 4.929 -5.715 13.859 1.00 3.98 H new ATOM 0 HD3 PRO A 68 6.151 -4.656 14.537 1.00 3.98 H new ATOM 1150 N GLY A 69 9.324 -6.948 10.781 1.00 3.53 N ATOM 1151 CA GLY A 69 9.723 -7.876 9.728 1.00 3.44 C ATOM 1152 C GLY A 69 9.213 -7.556 8.331 1.00 2.86 C ATOM 1153 O GLY A 69 9.703 -8.135 7.369 1.00 2.82 O ATOM 0 H GLY A 69 9.921 -6.125 10.870 1.00 3.53 H new ATOM 0 HA2 GLY A 69 10.812 -7.913 9.697 1.00 3.44 H new ATOM 0 HA3 GLY A 69 9.378 -8.874 10.000 1.00 3.44 H new ATOM 1157 N SER A 70 8.265 -6.631 8.198 1.00 2.44 N ATOM 1158 CA SER A 70 7.694 -6.328 6.883 1.00 2.00 C ATOM 1159 C SER A 70 8.134 -4.990 6.301 1.00 1.53 C ATOM 1160 O SER A 70 8.122 -3.961 6.974 1.00 1.46 O ATOM 1161 CB SER A 70 6.172 -6.360 6.960 1.00 2.18 C ATOM 1162 OG SER A 70 5.599 -6.543 5.678 1.00 2.80 O ATOM 0 H SER A 70 7.880 -6.085 8.969 1.00 2.44 H new ATOM 0 HA SER A 70 8.073 -7.099 6.212 1.00 2.00 H new ATOM 0 HB2 SER A 70 5.855 -7.166 7.621 1.00 2.18 H new ATOM 0 HB3 SER A 70 5.807 -5.429 7.395 1.00 2.18 H new ATOM 0 HG SER A 70 4.622 -6.562 5.756 1.00 2.80 H new ATOM 1168 N THR A 71 8.503 -5.034 5.019 1.00 1.44 N ATOM 1169 CA THR A 71 8.909 -3.848 4.276 1.00 1.46 C ATOM 1170 C THR A 71 8.160 -3.808 2.930 1.00 1.45 C ATOM 1171 O THR A 71 8.631 -3.232 1.949 1.00 1.87 O ATOM 1172 CB THR A 71 10.446 -3.819 4.050 1.00 1.83 C ATOM 1173 OG1 THR A 71 10.841 -2.647 3.321 1.00 2.27 O ATOM 1174 CG2 THR A 71 10.914 -5.061 3.309 1.00 2.08 C ATOM 0 H THR A 71 8.527 -5.894 4.471 1.00 1.44 H new ATOM 0 HA THR A 71 8.651 -2.965 4.861 1.00 1.46 H new ATOM 0 HB THR A 71 10.916 -3.797 5.033 1.00 1.83 H new ATOM 0 HG1 THR A 71 10.222 -2.502 2.575 1.00 2.27 H new ATOM 0 HG21 THR A 71 11.993 -5.014 3.165 1.00 2.08 H new ATOM 0 HG22 THR A 71 10.664 -5.948 3.891 1.00 2.08 H new ATOM 0 HG23 THR A 71 10.420 -5.113 2.339 1.00 2.08 H new ATOM 1182 N SER A 72 6.973 -4.429 2.905 1.00 1.38 N ATOM 1183 CA SER A 72 6.144 -4.475 1.697 1.00 1.57 C ATOM 1184 C SER A 72 4.670 -4.285 2.056 1.00 1.49 C ATOM 1185 O SER A 72 3.792 -4.381 1.195 1.00 1.91 O ATOM 1186 CB SER A 72 6.342 -5.808 0.966 1.00 2.05 C ATOM 1187 OG SER A 72 5.875 -5.742 -0.376 1.00 2.49 O ATOM 0 H SER A 72 6.567 -4.906 3.710 1.00 1.38 H new ATOM 0 HA SER A 72 6.450 -3.664 1.036 1.00 1.57 H new ATOM 0 HB2 SER A 72 7.399 -6.074 0.972 1.00 2.05 H new ATOM 0 HB3 SER A 72 5.812 -6.598 1.498 1.00 2.05 H new ATOM 0 HG SER A 72 5.021 -5.262 -0.402 1.00 2.49 H new ATOM 1193 N ALA A 73 4.409 -4.019 3.337 1.00 1.18 N ATOM 1194 CA ALA A 73 3.051 -3.807 3.832 1.00 1.24 C ATOM 1195 C ALA A 73 2.376 -2.615 3.153 1.00 1.27 C ATOM 1196 O ALA A 73 1.287 -2.745 2.593 1.00 1.39 O ATOM 1197 CB ALA A 73 3.092 -3.598 5.334 1.00 1.32 C ATOM 0 H ALA A 73 5.129 -3.945 4.055 1.00 1.18 H new ATOM 0 HA ALA A 73 2.461 -4.692 3.595 1.00 1.24 H new ATOM 0 HB1 ALA A 73 2.080 -3.439 5.707 1.00 1.32 H new ATOM 0 HB2 ALA A 73 3.521 -4.478 5.812 1.00 1.32 H new ATOM 0 HB3 ALA A 73 3.704 -2.726 5.563 1.00 1.32 H new ATOM 1203 N ALA A 74 3.039 -1.461 3.203 1.00 1.27 N ATOM 1204 CA ALA A 74 2.518 -0.236 2.605 1.00 1.40 C ATOM 1205 C ALA A 74 2.578 -0.273 1.075 1.00 1.28 C ATOM 1206 O ALA A 74 1.852 0.460 0.398 1.00 1.34 O ATOM 1207 CB ALA A 74 3.277 0.967 3.143 1.00 1.61 C ATOM 0 H ALA A 74 3.946 -1.350 3.656 1.00 1.27 H new ATOM 0 HA ALA A 74 1.467 -0.151 2.881 1.00 1.40 H new ATOM 0 HB1 ALA A 74 2.882 1.878 2.692 1.00 1.61 H new ATOM 0 HB2 ALA A 74 3.159 1.017 4.225 1.00 1.61 H new ATOM 0 HB3 ALA A 74 4.335 0.869 2.898 1.00 1.61 H new ATOM 1213 N THR A 75 3.438 -1.136 0.540 1.00 1.16 N ATOM 1214 CA THR A 75 3.597 -1.285 -0.907 1.00 1.15 C ATOM 1215 C THR A 75 2.355 -1.926 -1.527 1.00 1.20 C ATOM 1216 O THR A 75 1.798 -1.417 -2.498 1.00 1.25 O ATOM 1217 CB THR A 75 4.834 -2.140 -1.247 1.00 1.17 C ATOM 1218 OG1 THR A 75 5.978 -1.647 -0.540 1.00 1.24 O ATOM 1219 CG2 THR A 75 5.118 -2.125 -2.744 1.00 1.66 C ATOM 0 H THR A 75 4.040 -1.748 1.091 1.00 1.16 H new ATOM 0 HA THR A 75 3.733 -0.286 -1.322 1.00 1.15 H new ATOM 0 HB THR A 75 4.628 -3.166 -0.944 1.00 1.17 H new ATOM 0 HG1 THR A 75 6.760 -2.196 -0.759 1.00 1.24 H new ATOM 0 HG21 THR A 75 5.996 -2.736 -2.954 1.00 1.66 H new ATOM 0 HG22 THR A 75 4.259 -2.527 -3.281 1.00 1.66 H new ATOM 0 HG23 THR A 75 5.303 -1.101 -3.069 1.00 1.66 H new ATOM 1227 N CYS A 76 1.939 -3.056 -0.963 1.00 1.24 N ATOM 1228 CA CYS A 76 0.757 -3.771 -1.438 1.00 1.36 C ATOM 1229 C CYS A 76 -0.525 -3.007 -1.089 1.00 1.39 C ATOM 1230 O CYS A 76 -1.546 -3.155 -1.762 1.00 1.46 O ATOM 1231 CB CYS A 76 0.731 -5.190 -0.873 1.00 1.46 C ATOM 1232 SG CYS A 76 2.140 -6.200 -1.402 1.00 1.61 S ATOM 0 H CYS A 76 2.406 -3.499 -0.172 1.00 1.24 H new ATOM 0 HA CYS A 76 0.809 -3.840 -2.525 1.00 1.36 H new ATOM 0 HB2 CYS A 76 0.718 -5.140 0.216 1.00 1.46 H new ATOM 0 HB3 CYS A 76 -0.193 -5.679 -1.181 1.00 1.46 H new ATOM 0 HG CYS A 76 1.736 -7.409 -1.658 1.00 1.61 H new ATOM 1238 N THR A 77 -0.464 -2.213 -0.017 1.00 1.35 N ATOM 1239 CA THR A 77 -1.603 -1.408 0.431 1.00 1.39 C ATOM 1240 C THR A 77 -2.010 -0.381 -0.626 1.00 1.34 C ATOM 1241 O THR A 77 -3.197 -0.109 -0.810 1.00 1.38 O ATOM 1242 CB THR A 77 -1.279 -0.674 1.751 1.00 1.41 C ATOM 1243 OG1 THR A 77 -1.240 -1.607 2.832 1.00 1.48 O ATOM 1244 CG2 THR A 77 -2.305 0.409 2.057 1.00 1.49 C ATOM 0 H THR A 77 0.370 -2.110 0.561 1.00 1.35 H new ATOM 0 HA THR A 77 -2.433 -2.095 0.595 1.00 1.39 H new ATOM 0 HB THR A 77 -0.305 -0.199 1.634 1.00 1.41 H new ATOM 0 HG1 THR A 77 -0.370 -2.058 2.844 1.00 1.48 H new ATOM 0 HG21 THR A 77 -2.044 0.903 2.993 1.00 1.49 H new ATOM 0 HG22 THR A 77 -2.313 1.141 1.250 1.00 1.49 H new ATOM 0 HG23 THR A 77 -3.293 -0.041 2.148 1.00 1.49 H new ATOM 1252 N ARG A 78 -1.016 0.181 -1.318 1.00 1.27 N ATOM 1253 CA ARG A 78 -1.261 1.176 -2.363 1.00 1.25 C ATOM 1254 C ARG A 78 -2.137 0.596 -3.475 1.00 1.30 C ATOM 1255 O ARG A 78 -2.912 1.312 -4.109 1.00 1.29 O ATOM 1256 CB ARG A 78 0.076 1.701 -2.930 1.00 1.25 C ATOM 1257 CG ARG A 78 0.602 0.954 -4.152 1.00 1.33 C ATOM 1258 CD ARG A 78 2.069 1.275 -4.417 1.00 1.40 C ATOM 1259 NE ARG A 78 2.288 2.699 -4.667 1.00 1.56 N ATOM 1260 CZ ARG A 78 3.491 3.255 -4.810 1.00 1.92 C ATOM 1261 NH1 ARG A 78 4.590 2.509 -4.749 1.00 2.01 N ATOM 1262 NH2 ARG A 78 3.596 4.560 -5.022 1.00 2.42 N ATOM 0 H ARG A 78 -0.030 -0.038 -1.172 1.00 1.27 H new ATOM 0 HA ARG A 78 -1.798 2.015 -1.920 1.00 1.25 H new ATOM 0 HB2 ARG A 78 -0.047 2.752 -3.192 1.00 1.25 H new ATOM 0 HB3 ARG A 78 0.829 1.654 -2.143 1.00 1.25 H new ATOM 0 HG2 ARG A 78 0.485 -0.119 -4.001 1.00 1.33 H new ATOM 0 HG3 ARG A 78 0.007 1.220 -5.026 1.00 1.33 H new ATOM 0 HD2 ARG A 78 2.668 0.962 -3.561 1.00 1.40 H new ATOM 0 HD3 ARG A 78 2.415 0.700 -5.276 1.00 1.40 H new ATOM 0 HE ARG A 78 1.470 3.304 -4.736 1.00 1.56 H new ATOM 0 HH11 ARG A 78 4.516 1.504 -4.592 1.00 2.01 H new ATOM 0 HH12 ARG A 78 5.507 2.942 -4.859 1.00 2.01 H new ATOM 0 HH21 ARG A 78 2.757 5.137 -5.075 1.00 2.42 H new ATOM 0 HH22 ARG A 78 4.516 4.986 -5.132 1.00 2.42 H new ATOM 1276 N ARG A 79 -2.009 -0.711 -3.688 1.00 1.37 N ATOM 1277 CA ARG A 79 -2.752 -1.418 -4.724 1.00 1.45 C ATOM 1278 C ARG A 79 -4.245 -1.556 -4.404 1.00 1.48 C ATOM 1279 O ARG A 79 -5.066 -1.640 -5.317 1.00 1.54 O ATOM 1280 CB ARG A 79 -2.121 -2.788 -5.027 1.00 1.52 C ATOM 1281 CG ARG A 79 -0.638 -2.685 -5.438 1.00 1.51 C ATOM 1282 CD ARG A 79 -0.049 -4.044 -5.836 1.00 1.59 C ATOM 1283 NE ARG A 79 -0.605 -4.539 -7.114 1.00 1.67 N ATOM 1284 CZ ARG A 79 -0.359 -5.705 -7.684 1.00 1.76 C ATOM 1285 NH1 ARG A 79 0.438 -6.585 -7.147 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -0.910 -6.013 -8.822 1.00 1.82 N ATOM 0 H ARG A 79 -1.386 -1.309 -3.146 1.00 1.37 H new ATOM 0 HA ARG A 79 -2.685 -0.803 -5.621 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -2.206 -3.425 -4.146 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -2.682 -3.273 -5.826 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -0.542 -1.991 -6.273 1.00 1.51 H new ATOM 0 HG3 ARG A 79 -0.062 -2.270 -4.611 1.00 1.51 H new ATOM 0 HD2 ARG A 79 1.034 -3.958 -5.922 1.00 1.59 H new ATOM 0 HD3 ARG A 79 -0.250 -4.770 -5.048 1.00 1.59 H new ATOM 0 HE ARG A 79 -1.245 -3.915 -7.606 1.00 1.67 H new ATOM 0 HH11 ARG A 79 0.895 -6.383 -6.258 1.00 1.79 H new ATOM 0 HH12 ARG A 79 0.605 -7.475 -7.616 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -1.537 -5.352 -9.281 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -0.715 -6.915 -9.255 1.00 1.82 H new ATOM 1300 N HIS A 80 -4.602 -1.535 -3.119 1.00 1.47 N ATOM 1301 CA HIS A 80 -5.986 -1.441 -2.655 1.00 1.50 C ATOM 1302 C HIS A 80 -6.509 -0.004 -2.806 1.00 1.44 C ATOM 1303 O HIS A 80 -7.535 0.201 -3.451 1.00 1.48 O ATOM 1304 CB HIS A 80 -6.076 -1.963 -1.209 1.00 1.52 C ATOM 1305 CG HIS A 80 -5.544 -3.370 -1.040 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -4.892 -3.867 0.068 1.00 1.62 N ATOM 1307 CD2 HIS A 80 -5.616 -4.400 -1.949 1.00 1.68 C ATOM 1308 CE1 HIS A 80 -4.581 -5.154 -0.166 1.00 1.70 C ATOM 1309 NE2 HIS A 80 -4.999 -5.526 -1.386 1.00 1.74 N ATOM 0 H HIS A 80 -3.925 -1.584 -2.358 1.00 1.47 H new ATOM 0 HA HIS A 80 -6.631 -2.067 -3.272 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -5.520 -1.292 -0.554 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -7.116 -1.935 -0.885 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -6.070 -4.350 -2.928 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -4.066 -5.799 0.531 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -4.890 -6.444 -1.817 1.00 1.74 H new ATOM 1318 N TYR A 81 -5.778 1.010 -2.318 1.00 1.35 N ATOM 1319 CA TYR A 81 -6.184 2.424 -2.381 1.00 1.29 C ATOM 1320 C TYR A 81 -6.477 2.901 -3.810 1.00 1.32 C ATOM 1321 O TYR A 81 -7.450 3.628 -4.028 1.00 1.34 O ATOM 1322 CB TYR A 81 -5.090 3.285 -1.725 1.00 1.21 C ATOM 1323 CG TYR A 81 -5.440 4.753 -1.488 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -5.498 5.661 -2.568 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -5.652 5.226 -0.178 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -5.785 7.022 -2.341 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -5.867 6.600 0.058 1.00 1.12 C ATOM 1328 CZ TYR A 81 -5.950 7.503 -1.023 1.00 1.12 C ATOM 1329 OH TYR A 81 -6.225 8.816 -0.788 1.00 1.11 O ATOM 0 H TYR A 81 -4.876 0.870 -1.862 1.00 1.35 H new ATOM 0 HA TYR A 81 -7.122 2.530 -1.836 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -4.829 2.836 -0.767 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -4.199 3.242 -2.351 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -5.321 5.310 -3.574 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -5.650 4.533 0.650 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -5.879 7.699 -3.177 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -5.969 6.962 1.070 1.00 1.12 H new ATOM 0 HH TYR A 81 -6.531 9.240 -1.617 1.00 1.11 H new ATOM 1339 N GLU A 82 -5.704 2.445 -4.809 1.00 1.34 N ATOM 1340 CA GLU A 82 -5.847 2.868 -6.202 1.00 1.39 C ATOM 1341 C GLU A 82 -7.121 2.326 -6.869 1.00 1.50 C ATOM 1342 O GLU A 82 -7.433 2.707 -8.001 1.00 1.56 O ATOM 1343 CB GLU A 82 -4.578 2.580 -7.021 1.00 1.40 C ATOM 1344 CG GLU A 82 -4.378 1.113 -7.388 1.00 1.46 C ATOM 1345 CD GLU A 82 -3.267 0.951 -8.440 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -3.532 1.240 -9.634 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -2.144 0.515 -8.090 1.00 1.46 O ATOM 0 H GLU A 82 -4.957 1.766 -4.666 1.00 1.34 H new ATOM 0 HA GLU A 82 -5.970 3.951 -6.183 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -4.612 3.169 -7.938 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -3.711 2.921 -6.455 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -4.123 0.543 -6.495 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -5.311 0.701 -7.773 1.00 1.46 H new ATOM 1354 N ARG A 83 -7.866 1.455 -6.164 1.00 1.53 N ATOM 1355 CA ARG A 83 -9.208 1.032 -6.586 1.00 1.64 C ATOM 1356 C ARG A 83 -10.296 1.252 -5.527 1.00 1.64 C ATOM 1357 O ARG A 83 -11.472 1.086 -5.846 1.00 1.73 O ATOM 1358 CB ARG A 83 -9.192 -0.444 -7.034 1.00 1.73 C ATOM 1359 CG ARG A 83 -8.298 -0.751 -8.243 1.00 1.75 C ATOM 1360 CD ARG A 83 -8.758 -0.044 -9.530 1.00 1.81 C ATOM 1361 NE ARG A 83 -7.839 -0.334 -10.647 1.00 1.84 N ATOM 1362 CZ ARG A 83 -6.660 0.226 -10.857 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -6.249 1.266 -10.195 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -5.835 -0.264 -11.736 1.00 1.82 N ATOM 0 H ARG A 83 -7.554 1.029 -5.291 1.00 1.53 H new ATOM 0 HA ARG A 83 -9.471 1.675 -7.426 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -8.864 -1.058 -6.195 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -10.212 -0.746 -7.271 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -7.275 -0.450 -8.016 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -8.284 -1.828 -8.412 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -9.765 -0.370 -9.789 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -8.804 1.032 -9.362 1.00 1.81 H new ATOM 0 HE ARG A 83 -8.143 -1.035 -11.323 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -6.844 1.683 -9.480 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -5.331 1.665 -10.391 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -6.095 -1.091 -12.274 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -4.929 0.179 -11.887 1.00 1.82 H new ATOM 1378 N LEU A 84 -9.928 1.654 -4.304 1.00 1.56 N ATOM 1379 CA LEU A 84 -10.859 1.665 -3.173 1.00 1.57 C ATOM 1380 C LEU A 84 -11.126 3.081 -2.634 1.00 1.51 C ATOM 1381 O LEU A 84 -12.040 3.268 -1.840 1.00 1.54 O ATOM 1382 CB LEU A 84 -10.253 0.726 -2.115 1.00 1.56 C ATOM 1383 CG LEU A 84 -11.130 0.417 -0.901 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -12.441 -0.264 -1.280 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -10.376 -0.510 0.048 1.00 1.61 C ATOM 0 H LEU A 84 -8.988 1.977 -4.074 1.00 1.56 H new ATOM 0 HA LEU A 84 -11.845 1.316 -3.479 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -9.996 -0.216 -2.600 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -9.321 1.166 -1.761 1.00 1.56 H new ATOM 0 HG LEU A 84 -11.363 1.372 -0.430 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -13.023 -0.460 -0.379 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -13.009 0.386 -1.945 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -12.229 -1.206 -1.786 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -11.001 -0.731 0.914 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -10.131 -1.438 -0.468 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -9.458 -0.024 0.378 1.00 1.61 H new ATOM 1397 N ILE A 85 -10.358 4.083 -3.083 1.00 1.44 N ATOM 1398 CA ILE A 85 -10.695 5.497 -2.832 1.00 1.41 C ATOM 1399 C ILE A 85 -10.056 6.472 -3.819 1.00 1.39 C ATOM 1400 O ILE A 85 -10.636 7.530 -4.035 1.00 1.42 O ATOM 1401 CB ILE A 85 -10.434 5.900 -1.370 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -11.062 7.284 -1.074 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -8.944 5.872 -1.019 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -11.378 7.517 0.404 1.00 1.33 C ATOM 0 H ILE A 85 -9.502 3.945 -3.620 1.00 1.44 H new ATOM 0 HA ILE A 85 -11.768 5.574 -3.008 1.00 1.41 H new ATOM 0 HB ILE A 85 -10.914 5.159 -0.731 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -10.380 8.062 -1.417 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -11.980 7.387 -1.652 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -8.810 6.164 0.023 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -8.554 4.865 -1.167 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -8.405 6.568 -1.663 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -11.815 8.508 0.531 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -12.085 6.762 0.748 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -10.460 7.448 0.988 1.00 1.33 H new ATOM 1416 N LEU A 86 -8.964 6.127 -4.510 1.00 1.37 N ATOM 1417 CA LEU A 86 -8.473 6.913 -5.648 1.00 1.39 C ATOM 1418 C LEU A 86 -9.584 7.270 -6.676 1.00 1.49 C ATOM 1419 O LEU A 86 -9.622 8.426 -7.108 1.00 1.52 O ATOM 1420 CB LEU A 86 -7.289 6.171 -6.286 1.00 1.37 C ATOM 1421 CG LEU A 86 -6.621 6.865 -7.487 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -6.101 8.263 -7.145 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -5.445 6.034 -7.991 1.00 1.40 C ATOM 0 H LEU A 86 -8.400 5.303 -4.299 1.00 1.37 H new ATOM 0 HA LEU A 86 -8.132 7.880 -5.279 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -6.532 6.010 -5.519 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -7.633 5.188 -6.606 1.00 1.37 H new ATOM 0 HG LEU A 86 -7.391 6.958 -8.253 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -5.640 8.706 -8.028 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -6.930 8.889 -6.816 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -5.362 8.191 -6.347 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -4.982 6.536 -8.840 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -4.712 5.920 -7.193 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -5.800 5.051 -8.300 1.00 1.40 H new ATOM 1435 N PRO A 87 -10.534 6.369 -7.031 1.00 1.58 N ATOM 1436 CA PRO A 87 -11.682 6.736 -7.869 1.00 1.69 C ATOM 1437 C PRO A 87 -12.771 7.576 -7.169 1.00 1.71 C ATOM 1438 O PRO A 87 -13.585 8.170 -7.881 1.00 1.80 O ATOM 1439 CB PRO A 87 -12.254 5.410 -8.388 1.00 1.78 C ATOM 1440 CG PRO A 87 -11.873 4.407 -7.305 1.00 1.71 C ATOM 1441 CD PRO A 87 -10.507 4.915 -6.856 1.00 1.59 C ATOM 0 HA PRO A 87 -11.338 7.397 -8.665 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -13.334 5.464 -8.522 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -11.826 5.139 -9.353 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -12.593 4.399 -6.487 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -11.821 3.390 -7.693 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -10.316 4.652 -5.816 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -9.710 4.466 -7.449 1.00 1.59 H new ATOM 1449 N TYR A 88 -12.811 7.661 -5.829 1.00 1.63 N ATOM 1450 CA TYR A 88 -13.869 8.397 -5.108 1.00 1.66 C ATOM 1451 C TYR A 88 -13.402 9.722 -4.476 1.00 1.59 C ATOM 1452 O TYR A 88 -14.171 10.680 -4.482 1.00 1.64 O ATOM 1453 CB TYR A 88 -14.611 7.469 -4.127 1.00 1.68 C ATOM 1454 CG TYR A 88 -15.992 7.019 -4.603 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -16.217 6.653 -5.949 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -17.065 6.969 -3.691 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -17.497 6.248 -6.375 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -18.350 6.574 -4.113 1.00 1.97 C ATOM 1459 CZ TYR A 88 -18.569 6.209 -5.458 1.00 2.05 C ATOM 1460 OH TYR A 88 -19.805 5.817 -5.878 1.00 2.17 O ATOM 0 H TYR A 88 -12.119 7.227 -5.218 1.00 1.63 H new ATOM 0 HA TYR A 88 -14.591 8.720 -5.858 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -13.997 6.586 -3.947 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -14.719 7.983 -3.172 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -15.402 6.684 -6.656 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -16.901 7.236 -2.658 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -17.658 5.967 -7.405 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -19.167 6.551 -3.407 1.00 1.97 H new ATOM 0 HH TYR A 88 -20.431 5.844 -5.124 1.00 2.17 H new ATOM 1470 N GLU A 89 -12.133 9.886 -4.073 1.00 1.50 N ATOM 1471 CA GLU A 89 -11.587 11.216 -3.716 1.00 1.46 C ATOM 1472 C GLU A 89 -11.706 12.226 -4.885 1.00 1.53 C ATOM 1473 O GLU A 89 -11.648 13.438 -4.679 1.00 1.55 O ATOM 1474 CB GLU A 89 -10.138 11.137 -3.186 1.00 1.36 C ATOM 1475 CG GLU A 89 -9.074 10.760 -4.232 1.00 1.35 C ATOM 1476 CD GLU A 89 -7.645 11.009 -3.708 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -7.130 10.194 -2.905 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -7.024 12.024 -4.116 1.00 1.29 O ATOM 0 H GLU A 89 -11.464 9.122 -3.984 1.00 1.50 H new ATOM 0 HA GLU A 89 -12.204 11.588 -2.898 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -9.873 12.102 -2.755 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -10.104 10.407 -2.378 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -9.185 9.710 -4.501 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -9.235 11.341 -5.140 1.00 1.35 H new ATOM 1485 N ARG A 90 -11.972 11.702 -6.091 1.00 1.61 N ATOM 1486 CA ARG A 90 -12.337 12.516 -7.257 1.00 1.71 C ATOM 1487 C ARG A 90 -13.495 13.497 -6.995 1.00 1.78 C ATOM 1488 O ARG A 90 -13.444 14.612 -7.513 1.00 1.83 O ATOM 1489 CB ARG A 90 -12.629 11.564 -8.432 1.00 1.78 C ATOM 1490 CG ARG A 90 -12.728 12.290 -9.781 1.00 1.89 C ATOM 1491 CD ARG A 90 -12.850 11.278 -10.927 1.00 1.97 C ATOM 1492 NE ARG A 90 -12.902 11.951 -12.238 1.00 2.08 N ATOM 1493 CZ ARG A 90 -12.809 11.377 -13.425 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -12.671 10.087 -13.567 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -12.853 12.096 -14.510 1.00 2.25 N ATOM 0 H ARG A 90 -11.940 10.701 -6.284 1.00 1.61 H new ATOM 0 HA ARG A 90 -11.497 13.166 -7.501 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -11.842 10.812 -8.487 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -13.563 11.035 -8.241 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -13.592 12.954 -9.781 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -11.847 12.914 -9.931 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -12.002 10.594 -10.901 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -13.749 10.677 -10.789 1.00 1.97 H new ATOM 0 HE ARG A 90 -13.022 12.964 -12.228 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -12.632 9.485 -12.745 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -12.603 9.681 -14.500 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -12.960 13.108 -14.447 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -12.781 11.647 -15.423 1.00 2.25 H new ATOM 1509 N PHE A 91 -14.492 13.160 -6.159 1.00 1.78 N ATOM 1510 CA PHE A 91 -15.524 14.139 -5.755 1.00 1.84 C ATOM 1511 C PHE A 91 -15.013 15.162 -4.720 1.00 1.78 C ATOM 1512 O PHE A 91 -15.465 16.308 -4.719 1.00 1.84 O ATOM 1513 CB PHE A 91 -16.835 13.461 -5.299 1.00 1.89 C ATOM 1514 CG PHE A 91 -16.829 12.708 -3.974 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -16.783 13.402 -2.746 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -16.926 11.303 -3.961 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -16.730 12.694 -1.531 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -16.863 10.597 -2.749 1.00 1.76 C ATOM 1519 CZ PHE A 91 -16.732 11.291 -1.539 1.00 1.70 C ATOM 0 H PHE A 91 -14.608 12.231 -5.753 1.00 1.78 H new ATOM 0 HA PHE A 91 -15.758 14.707 -6.655 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -17.606 14.229 -5.243 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -17.138 12.762 -6.079 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -16.789 14.482 -2.739 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -17.050 10.765 -4.889 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -16.688 13.230 -0.594 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -16.916 9.518 -2.749 1.00 1.76 H new ATOM 0 HZ PHE A 91 -16.633 10.746 -0.612 1.00 1.70 H new ATOM 1529 N ILE A 92 -14.032 14.793 -3.886 1.00 1.67 N ATOM 1530 CA ILE A 92 -13.466 15.709 -2.875 1.00 1.62 C ATOM 1531 C ILE A 92 -12.557 16.738 -3.562 1.00 1.64 C ATOM 1532 O ILE A 92 -12.607 17.931 -3.272 1.00 1.69 O ATOM 1533 CB ILE A 92 -12.681 14.919 -1.793 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -13.552 13.805 -1.164 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -12.164 15.875 -0.701 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -12.824 12.893 -0.171 1.00 1.43 C ATOM 0 H ILE A 92 -13.610 13.865 -3.888 1.00 1.67 H new ATOM 0 HA ILE A 92 -14.282 16.233 -2.378 1.00 1.62 H new ATOM 0 HB ILE A 92 -11.829 14.443 -2.279 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -14.396 14.270 -0.655 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -13.962 13.190 -1.965 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -11.616 15.307 0.050 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -11.502 16.616 -1.150 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -13.008 16.380 -0.230 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -13.519 12.146 0.214 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -11.997 12.393 -0.675 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -12.438 13.490 0.656 1.00 1.43 H new ATOM 1548 N LYS A 93 -11.768 16.266 -4.529 1.00 1.63 N ATOM 1549 CA LYS A 93 -10.730 17.073 -5.186 1.00 1.66 C ATOM 1550 C LYS A 93 -11.222 17.762 -6.468 1.00 1.78 C ATOM 1551 O LYS A 93 -10.492 18.553 -7.067 1.00 1.82 O ATOM 1552 CB LYS A 93 -9.557 16.114 -5.432 1.00 1.58 C ATOM 1553 CG LYS A 93 -8.210 16.817 -5.636 1.00 1.58 C ATOM 1554 CD LYS A 93 -7.057 15.836 -5.398 1.00 1.49 C ATOM 1555 CE LYS A 93 -7.048 14.689 -6.417 1.00 1.50 C ATOM 1556 NZ LYS A 93 -5.999 13.700 -6.083 1.00 1.41 N ATOM 0 H LYS A 93 -11.829 15.311 -4.882 1.00 1.63 H new ATOM 0 HA LYS A 93 -10.428 17.909 -4.555 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -9.475 15.432 -4.586 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -9.775 15.507 -6.311 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -8.151 17.219 -6.647 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -8.125 17.661 -4.952 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -6.110 16.373 -5.450 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -7.135 15.424 -4.392 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -8.023 14.201 -6.432 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -6.875 15.086 -7.417 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -5.787 13.123 -6.922 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -5.138 14.197 -5.778 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -6.334 13.084 -5.315 1.00 1.41 H new ATOM 1570 N GLY A 94 -12.471 17.483 -6.851 1.00 1.84 N ATOM 1571 CA GLY A 94 -13.096 18.073 -8.040 1.00 1.97 C ATOM 1572 C GLY A 94 -14.366 18.880 -7.741 1.00 2.05 C ATOM 1573 O GLY A 94 -14.750 19.703 -8.570 1.00 2.15 O ATOM 0 H GLY A 94 -13.080 16.840 -6.344 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -12.373 18.722 -8.534 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -13.341 17.276 -8.742 1.00 1.97 H new ATOM 1577 N GLU A 95 -14.999 18.696 -6.571 1.00 2.00 N ATOM 1578 CA GLU A 95 -16.270 19.356 -6.211 1.00 2.08 C ATOM 1579 C GLU A 95 -16.368 19.786 -4.730 1.00 2.02 C ATOM 1580 O GLU A 95 -17.463 19.985 -4.197 1.00 2.07 O ATOM 1581 CB GLU A 95 -17.476 18.475 -6.619 1.00 2.13 C ATOM 1582 CG GLU A 95 -17.550 18.135 -8.113 1.00 2.21 C ATOM 1583 CD GLU A 95 -18.856 17.390 -8.446 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -19.878 18.049 -8.761 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -18.871 16.135 -8.409 1.00 2.26 O ATOM 0 H GLU A 95 -14.642 18.080 -5.840 1.00 2.00 H new ATOM 0 HA GLU A 95 -16.293 20.286 -6.780 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -17.437 17.545 -6.051 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -18.395 18.986 -6.331 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -17.489 19.051 -8.701 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -16.695 17.520 -8.392 1.00 2.21 H new ATOM 1592 N GLU A 96 -15.227 19.971 -4.054 1.00 1.94 N ATOM 1593 CA GLU A 96 -15.170 20.499 -2.677 1.00 1.90 C ATOM 1594 C GLU A 96 -13.868 21.259 -2.333 1.00 1.87 C ATOM 1595 O GLU A 96 -13.931 22.358 -1.782 1.00 1.92 O ATOM 1596 CB GLU A 96 -15.417 19.359 -1.666 1.00 1.82 C ATOM 1597 CG GLU A 96 -15.655 19.884 -0.246 1.00 1.81 C ATOM 1598 CD GLU A 96 -16.053 18.745 0.712 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -17.268 18.455 0.845 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -15.158 18.146 1.357 1.00 1.68 O ATOM 0 H GLU A 96 -14.310 19.758 -4.446 1.00 1.94 H new ATOM 0 HA GLU A 96 -15.963 21.244 -2.609 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -16.280 18.774 -1.984 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -14.559 18.686 -1.663 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -14.751 20.371 0.120 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -16.440 20.640 -0.262 1.00 1.81 H new ATOM 1607 N ASP A 97 -12.727 20.669 -2.657 1.00 1.80 N ATOM 1608 CA ASP A 97 -11.443 21.288 -2.373 1.00 1.78 C ATOM 1609 C ASP A 97 -10.437 20.967 -3.468 1.00 1.87 C ATOM 1610 O ASP A 97 -10.693 20.129 -4.333 1.00 2.33 O ATOM 1611 CB ASP A 97 -10.913 20.806 -1.022 1.00 1.78 C ATOM 1612 CG ASP A 97 -10.609 21.949 -0.077 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -9.466 22.453 -0.107 1.00 2.20 O ATOM 1614 OD2 ASP A 97 -11.508 22.339 0.695 1.00 2.70 O ATOM 0 H ASP A 97 -12.665 19.761 -3.117 1.00 1.80 H new ATOM 0 HA ASP A 97 -11.584 22.368 -2.337 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -11.647 20.144 -0.562 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -10.009 20.218 -1.179 1.00 1.78 H new ATOM 1619 N LYS A 98 -9.295 21.644 -3.427 1.00 1.90 N ATOM 1620 CA LYS A 98 -8.239 21.434 -4.407 1.00 2.13 C ATOM 1621 C LYS A 98 -6.883 21.827 -3.825 1.00 2.94 C ATOM 1622 O LYS A 98 -6.582 23.012 -3.674 1.00 3.42 O ATOM 1623 CB LYS A 98 -8.524 22.236 -5.681 1.00 2.05 C ATOM 1624 CG LYS A 98 -7.601 21.892 -6.837 1.00 2.30 C ATOM 1625 CD LYS A 98 -7.810 22.836 -8.011 1.00 2.83 C ATOM 1626 CE LYS A 98 -6.919 22.477 -9.190 1.00 3.09 C ATOM 1627 NZ LYS A 98 -7.007 23.491 -10.278 1.00 3.68 N ATOM 0 H LYS A 98 -9.077 22.347 -2.721 1.00 1.90 H new ATOM 0 HA LYS A 98 -8.212 20.375 -4.662 1.00 2.13 H new ATOM 0 HB2 LYS A 98 -9.556 22.061 -5.987 1.00 2.05 H new ATOM 0 HB3 LYS A 98 -8.433 23.299 -5.459 1.00 2.05 H new ATOM 0 HG2 LYS A 98 -6.564 21.945 -6.505 1.00 2.30 H new ATOM 0 HG3 LYS A 98 -7.782 20.866 -7.156 1.00 2.30 H new ATOM 0 HD2 LYS A 98 -8.854 22.804 -8.322 1.00 2.83 H new ATOM 0 HD3 LYS A 98 -7.602 23.859 -7.697 1.00 2.83 H new ATOM 0 HE2 LYS A 98 -5.886 22.394 -8.853 1.00 3.09 H new ATOM 0 HE3 LYS A 98 -7.207 21.500 -9.579 1.00 3.09 H new ATOM 0 HZ1 LYS A 98 -6.386 23.212 -11.064 1.00 3.68 H new ATOM 0 HZ2 LYS A 98 -7.988 23.552 -10.617 1.00 3.68 H new ATOM 0 HZ3 LYS A 98 -6.708 24.418 -9.913 1.00 3.68 H new ATOM 1641 N PRO A 99 -6.051 20.831 -3.476 1.00 3.57 N ATOM 1642 CA PRO A 99 -4.723 21.069 -2.907 1.00 4.60 C ATOM 1643 C PRO A 99 -3.663 21.350 -3.973 1.00 4.87 C ATOM 1644 O PRO A 99 -2.497 21.577 -3.654 1.00 5.78 O ATOM 1645 CB PRO A 99 -4.430 19.754 -2.191 1.00 5.30 C ATOM 1646 CG PRO A 99 -5.116 18.722 -3.019 1.00 4.88 C ATOM 1647 CD PRO A 99 -6.345 19.386 -3.592 1.00 3.76 C ATOM 0 HA PRO A 99 -4.700 21.948 -2.263 1.00 4.60 H new ATOM 0 HB2 PRO A 99 -3.358 19.566 -2.128 1.00 5.30 H new ATOM 0 HB3 PRO A 99 -4.812 19.763 -1.170 1.00 5.30 H new ATOM 0 HG2 PRO A 99 -4.462 18.363 -3.814 1.00 4.88 H new ATOM 0 HG3 PRO A 99 -5.388 17.856 -2.415 1.00 4.88 H new ATOM 0 HD2 PRO A 99 -6.511 19.093 -4.629 1.00 3.76 H new ATOM 0 HD3 PRO A 99 -7.242 19.114 -3.036 1.00 3.76 H new ATOM 1655 N LEU A 100 -4.076 21.330 -5.239 1.00 4.16 N ATOM 1656 CA LEU A 100 -3.168 21.581 -6.350 1.00 4.45 C ATOM 1657 C LEU A 100 -3.305 23.018 -6.858 1.00 4.49 C ATOM 1658 O LEU A 100 -4.332 23.384 -7.431 1.00 4.18 O ATOM 1659 CB LEU A 100 -3.450 20.595 -7.489 1.00 4.19 C ATOM 1660 CG LEU A 100 -2.714 20.881 -8.800 1.00 4.60 C ATOM 1661 CD1 LEU A 100 -1.234 20.562 -8.664 1.00 4.86 C ATOM 1662 CD2 LEU A 100 -3.332 20.090 -9.942 1.00 4.95 C ATOM 0 H LEU A 100 -5.039 21.141 -5.519 1.00 4.16 H new ATOM 0 HA LEU A 100 -2.147 21.441 -5.994 1.00 4.45 H new ATOM 0 HB2 LEU A 100 -3.184 19.593 -7.154 1.00 4.19 H new ATOM 0 HB3 LEU A 100 -4.522 20.591 -7.687 1.00 4.19 H new ATOM 0 HG LEU A 100 -2.814 21.943 -9.026 1.00 4.60 H new ATOM 0 HD11 LEU A 100 -0.728 20.772 -9.607 1.00 4.86 H new ATOM 0 HD12 LEU A 100 -0.800 21.176 -7.875 1.00 4.86 H new ATOM 0 HD13 LEU A 100 -1.110 19.509 -8.413 1.00 4.86 H new ATOM 0 HD21 LEU A 100 -2.796 20.306 -10.866 1.00 4.95 H new ATOM 0 HD22 LEU A 100 -3.265 19.024 -9.724 1.00 4.95 H new ATOM 0 HD23 LEU A 100 -4.379 20.372 -10.055 1.00 4.95 H new ATOM 1674 N PRO A 101 -2.271 23.853 -6.651 1.00 5.19 N ATOM 1675 CA PRO A 101 -2.282 25.251 -7.097 1.00 5.67 C ATOM 1676 C PRO A 101 -2.064 25.381 -8.608 1.00 5.64 C ATOM 1677 O PRO A 101 -1.529 24.472 -9.244 1.00 5.32 O ATOM 1678 CB PRO A 101 -1.116 25.868 -6.326 1.00 6.54 C ATOM 1679 CG PRO A 101 -0.169 24.741 -6.116 1.00 6.50 C ATOM 1680 CD PRO A 101 -1.013 23.504 -5.961 1.00 5.81 C ATOM 0 HA PRO A 101 -3.239 25.738 -6.911 1.00 5.67 H new ATOM 0 HB2 PRO A 101 -0.651 26.677 -6.890 1.00 6.54 H new ATOM 0 HB3 PRO A 101 -1.447 26.290 -5.377 1.00 6.54 H new ATOM 0 HG2 PRO A 101 0.513 24.643 -6.961 1.00 6.50 H new ATOM 0 HG3 PRO A 101 0.443 24.908 -5.230 1.00 6.50 H new ATOM 0 HD2 PRO A 101 -0.536 22.634 -6.413 1.00 5.81 H new ATOM 0 HD3 PRO A 101 -1.184 23.265 -4.912 1.00 5.81 H new ATOM 1688 N PRO A 102 -2.485 26.516 -9.202 1.00 6.15 N ATOM 1689 CA PRO A 102 -2.342 26.759 -10.647 1.00 6.45 C ATOM 1690 C PRO A 102 -0.900 27.021 -11.091 1.00 6.96 C ATOM 1691 O PRO A 102 -0.625 27.114 -12.290 1.00 7.31 O ATOM 1692 CB PRO A 102 -3.202 28.003 -10.881 1.00 7.14 C ATOM 1693 CG PRO A 102 -3.217 28.713 -9.571 1.00 7.42 C ATOM 1694 CD PRO A 102 -3.160 27.640 -8.518 1.00 6.66 C ATOM 0 HA PRO A 102 -2.644 25.884 -11.223 1.00 6.45 H new ATOM 0 HB2 PRO A 102 -2.781 28.632 -11.666 1.00 7.14 H new ATOM 0 HB3 PRO A 102 -4.210 27.733 -11.195 1.00 7.14 H new ATOM 0 HG2 PRO A 102 -2.367 29.390 -9.484 1.00 7.42 H new ATOM 0 HG3 PRO A 102 -4.118 29.317 -9.465 1.00 7.42 H new ATOM 0 HD2 PRO A 102 -2.602 27.968 -7.641 1.00 6.66 H new ATOM 0 HD3 PRO A 102 -4.157 27.361 -8.176 1.00 6.66 H new ATOM 1702 N ILE A 103 0.018 27.136 -10.133 1.00 7.14 N ATOM 1703 CA ILE A 103 1.421 27.392 -10.454 1.00 7.71 C ATOM 1704 C ILE A 103 2.311 26.184 -10.138 1.00 7.31 C ATOM 1705 O ILE A 103 3.062 25.727 -11.000 1.00 7.64 O ATOM 1706 CB ILE A 103 1.951 28.661 -9.735 1.00 8.28 C ATOM 1707 CG1 ILE A 103 3.483 28.748 -9.823 1.00 9.04 C ATOM 1708 CG2 ILE A 103 1.492 28.700 -8.284 1.00 8.23 C ATOM 1709 CD1 ILE A 103 4.050 30.041 -9.271 1.00 9.66 C ATOM 0 H ILE A 103 -0.182 27.057 -9.136 1.00 7.14 H new ATOM 0 HA ILE A 103 1.467 27.568 -11.529 1.00 7.71 H new ATOM 0 HB ILE A 103 1.534 29.529 -10.245 1.00 8.28 H new ATOM 0 HG12 ILE A 103 3.918 27.909 -9.280 1.00 9.04 H new ATOM 0 HG13 ILE A 103 3.785 28.644 -10.865 1.00 9.04 H new ATOM 0 HG21 ILE A 103 1.878 29.600 -7.804 1.00 8.23 H new ATOM 0 HG22 ILE A 103 0.403 28.708 -8.247 1.00 8.23 H new ATOM 0 HG23 ILE A 103 1.867 27.821 -7.760 1.00 8.23 H new ATOM 0 HD11 ILE A 103 5.136 30.032 -9.366 1.00 9.66 H new ATOM 0 HD12 ILE A 103 3.644 30.884 -9.830 1.00 9.66 H new ATOM 0 HD13 ILE A 103 3.779 30.138 -8.220 1.00 9.66 H new ATOM 1721 N LYS A 104 2.226 25.666 -8.912 1.00 6.73 N ATOM 1722 CA LYS A 104 3.037 24.516 -8.512 1.00 6.37 C ATOM 1723 C LYS A 104 2.370 23.200 -8.900 1.00 5.89 C ATOM 1724 O LYS A 104 1.258 22.907 -8.464 1.00 5.68 O ATOM 1725 CB LYS A 104 3.295 24.537 -7.003 1.00 6.44 C ATOM 1726 CG LYS A 104 4.557 25.284 -6.609 1.00 6.74 C ATOM 1727 CD LYS A 104 4.885 25.086 -5.139 1.00 7.08 C ATOM 1728 CE LYS A 104 6.209 25.737 -4.778 1.00 7.57 C ATOM 1729 NZ LYS A 104 6.603 25.457 -3.370 1.00 8.00 N ATOM 0 H LYS A 104 1.608 26.022 -8.183 1.00 6.73 H new ATOM 0 HA LYS A 104 3.987 24.589 -9.041 1.00 6.37 H new ATOM 0 HB2 LYS A 104 2.441 24.996 -6.504 1.00 6.44 H new ATOM 0 HB3 LYS A 104 3.363 23.511 -6.641 1.00 6.44 H new ATOM 0 HG2 LYS A 104 5.391 24.938 -7.219 1.00 6.74 H new ATOM 0 HG3 LYS A 104 4.431 26.347 -6.815 1.00 6.74 H new ATOM 0 HD2 LYS A 104 4.090 25.510 -4.526 1.00 7.08 H new ATOM 0 HD3 LYS A 104 4.928 24.020 -4.914 1.00 7.08 H new ATOM 0 HE2 LYS A 104 6.986 25.375 -5.451 1.00 7.57 H new ATOM 0 HE3 LYS A 104 6.136 26.814 -4.926 1.00 7.57 H new ATOM 0 HZ1 LYS A 104 7.512 25.919 -3.165 1.00 8.00 H new ATOM 0 HZ2 LYS A 104 5.874 25.825 -2.726 1.00 8.00 H new ATOM 0 HZ3 LYS A 104 6.699 24.430 -3.234 1.00 8.00 H new ATOM 1743 N PRO A 105 3.042 22.391 -9.738 1.00 5.95 N ATOM 1744 CA PRO A 105 2.516 21.096 -10.174 1.00 5.79 C ATOM 1745 C PRO A 105 2.658 20.015 -9.100 1.00 5.46 C ATOM 1746 O PRO A 105 1.857 19.082 -9.036 1.00 5.28 O ATOM 1747 CB PRO A 105 3.372 20.763 -11.395 1.00 6.33 C ATOM 1748 CG PRO A 105 4.672 21.454 -11.154 1.00 6.61 C ATOM 1749 CD PRO A 105 4.359 22.686 -10.341 1.00 6.47 C ATOM 0 HA PRO A 105 1.448 21.138 -10.386 1.00 5.79 H new ATOM 0 HB2 PRO A 105 3.510 19.687 -11.499 1.00 6.33 H new ATOM 0 HB3 PRO A 105 2.903 21.114 -12.314 1.00 6.33 H new ATOM 0 HG2 PRO A 105 5.364 20.803 -10.620 1.00 6.61 H new ATOM 0 HG3 PRO A 105 5.149 21.722 -12.097 1.00 6.61 H new ATOM 0 HD2 PRO A 105 5.117 22.864 -9.578 1.00 6.47 H new ATOM 0 HD3 PRO A 105 4.321 23.578 -10.966 1.00 6.47 H new ATOM 1757 N ARG A 106 3.682 20.152 -8.260 1.00 5.56 N ATOM 1758 CA ARG A 106 3.936 19.198 -7.182 1.00 5.43 C ATOM 1759 C ARG A 106 4.747 19.853 -6.067 1.00 5.72 C ATOM 1760 O ARG A 106 4.996 21.059 -6.096 1.00 6.01 O ATOM 1761 CB ARG A 106 4.664 17.952 -7.716 1.00 5.69 C ATOM 1762 CG ARG A 106 5.770 18.247 -8.723 1.00 6.20 C ATOM 1763 CD ARG A 106 7.116 18.470 -8.048 1.00 6.57 C ATOM 1764 NE ARG A 106 7.596 17.270 -7.365 1.00 6.84 N ATOM 1765 CZ ARG A 106 8.876 17.043 -7.076 1.00 7.39 C ATOM 1766 NH1 ARG A 106 9.805 17.934 -7.403 1.00 7.71 N ATOM 1767 NH2 ARG A 106 9.227 15.924 -6.456 1.00 7.84 N ATOM 0 H ARG A 106 4.353 20.919 -8.306 1.00 5.56 H new ATOM 0 HA ARG A 106 2.976 18.884 -6.773 1.00 5.43 H new ATOM 0 HB2 ARG A 106 5.093 17.409 -6.874 1.00 5.69 H new ATOM 0 HB3 ARG A 106 3.933 17.292 -8.182 1.00 5.69 H new ATOM 0 HG2 ARG A 106 5.850 17.417 -9.425 1.00 6.20 H new ATOM 0 HG3 ARG A 106 5.505 19.131 -9.303 1.00 6.20 H new ATOM 0 HD2 ARG A 106 7.848 18.779 -8.794 1.00 6.57 H new ATOM 0 HD3 ARG A 106 7.030 19.285 -7.330 1.00 6.57 H new ATOM 0 HE ARG A 106 6.910 16.565 -7.094 1.00 6.84 H new ATOM 0 HH11 ARG A 106 9.539 18.797 -7.878 1.00 7.71 H new ATOM 0 HH12 ARG A 106 10.784 17.755 -7.179 1.00 7.71 H new ATOM 0 HH21 ARG A 106 8.517 15.238 -6.201 1.00 7.84 H new ATOM 0 HH22 ARG A 106 10.207 15.750 -6.234 1.00 7.84 H new ATOM 1781 N LYS A 107 5.150 19.053 -5.082 1.00 5.92 N ATOM 1782 CA LYS A 107 5.938 19.557 -3.963 1.00 6.42 C ATOM 1783 C LYS A 107 7.411 19.671 -4.349 1.00 6.87 C ATOM 1784 O LYS A 107 8.113 18.636 -4.326 1.00 7.06 O ATOM 1785 CB LYS A 107 5.781 18.641 -2.745 1.00 6.74 C ATOM 1786 CG LYS A 107 6.473 19.166 -1.493 1.00 7.12 C ATOM 1787 CD LYS A 107 6.616 18.085 -0.430 1.00 7.73 C ATOM 1788 CE LYS A 107 7.563 16.978 -0.875 1.00 8.18 C ATOM 1789 NZ LYS A 107 8.885 17.515 -1.303 1.00 8.47 N ATOM 1790 OXT LYS A 107 7.851 20.793 -4.673 1.00 7.27 O ATOM 0 H LYS A 107 4.944 18.055 -5.037 1.00 5.92 H new ATOM 0 HA LYS A 107 5.570 20.550 -3.706 1.00 6.42 H new ATOM 0 HB2 LYS A 107 4.720 18.509 -2.535 1.00 6.74 H new ATOM 0 HB3 LYS A 107 6.183 17.657 -2.987 1.00 6.74 H new ATOM 0 HG2 LYS A 107 7.459 19.549 -1.756 1.00 7.12 H new ATOM 0 HG3 LYS A 107 5.904 20.002 -1.087 1.00 7.12 H new ATOM 0 HD2 LYS A 107 6.985 18.530 0.494 1.00 7.73 H new ATOM 0 HD3 LYS A 107 5.637 17.660 -0.210 1.00 7.73 H new ATOM 0 HE2 LYS A 107 7.706 16.272 -0.057 1.00 8.18 H new ATOM 0 HE3 LYS A 107 7.112 16.424 -1.699 1.00 8.18 H new ATOM 0 HZ1 LYS A 107 9.051 17.273 -2.301 1.00 8.47 H new ATOM 0 HZ2 LYS A 107 8.892 18.549 -1.191 1.00 8.47 H new ATOM 0 HZ3 LYS A 107 9.636 17.098 -0.716 1.00 8.47 H new TER 1804 LYS A 107 ATOM 1805 OP3 DT B 1 -5.241 -26.756 -7.544 1.00 2.61 O ATOM 1806 P DT B 1 -6.040 -26.942 -6.179 1.00 2.20 P ATOM 1807 OP1 DT B 1 -6.276 -28.394 -5.974 1.00 2.80 O ATOM 1808 OP2 DT B 1 -5.361 -26.154 -5.120 1.00 2.56 O ATOM 1809 O5' DT B 1 -7.447 -26.249 -6.481 1.00 2.08 O ATOM 1810 C5' DT B 1 -8.318 -26.768 -7.487 1.00 2.25 C ATOM 1811 C4' DT B 1 -9.004 -25.638 -8.221 1.00 2.22 C ATOM 1812 O4' DT B 1 -10.034 -25.093 -7.351 1.00 2.06 O ATOM 1813 C3' DT B 1 -8.024 -24.483 -8.474 1.00 2.18 C ATOM 1814 O3' DT B 1 -8.402 -23.575 -9.528 1.00 2.29 O ATOM 1815 C2' DT B 1 -8.136 -23.675 -7.199 1.00 1.96 C ATOM 1816 C1' DT B 1 -9.612 -23.828 -6.877 1.00 1.91 C ATOM 1817 N1 DT B 1 -9.959 -23.641 -5.453 1.00 1.72 N ATOM 1818 C2 DT B 1 -10.771 -22.559 -5.194 1.00 1.61 C ATOM 1819 O2 DT B 1 -11.260 -21.871 -6.076 1.00 1.71 O ATOM 1820 N3 DT B 1 -10.985 -22.300 -3.872 1.00 1.49 N ATOM 1821 C4 DT B 1 -10.508 -23.005 -2.795 1.00 1.49 C ATOM 1822 O4 DT B 1 -10.659 -22.543 -1.659 1.00 1.48 O ATOM 1823 C5 DT B 1 -9.712 -24.179 -3.131 1.00 1.64 C ATOM 1824 C7 DT B 1 -9.182 -25.040 -2.026 1.00 1.78 C ATOM 1825 C6 DT B 1 -9.488 -24.445 -4.432 1.00 1.74 C ATOM 0 H5' DT B 1 -9.063 -27.420 -7.031 1.00 2.25 H new ATOM 0 H5'' DT B 1 -7.750 -27.376 -8.191 1.00 2.25 H new ATOM 0 H4' DT B 1 -9.396 -26.026 -9.161 1.00 2.22 H new ATOM 0 H3' DT B 1 -7.052 -24.893 -8.749 1.00 2.18 H new ATOM 0 H2' DT B 1 -7.500 -24.068 -6.406 1.00 1.96 H new ATOM 0 H2'' DT B 1 -7.854 -22.633 -7.347 1.00 1.96 H new ATOM 0 H1' DT B 1 -10.143 -23.021 -7.382 1.00 1.91 H new ATOM 0 H3 DT B 1 -11.566 -21.489 -3.659 1.00 1.49 H new ATOM 0 H71 DT B 1 -9.100 -26.069 -2.375 1.00 1.78 H new ATOM 0 H72 DT B 1 -8.199 -24.679 -1.724 1.00 1.78 H new ATOM 0 H73 DT B 1 -9.861 -24.998 -1.175 1.00 1.78 H new ATOM 0 H6 DT B 1 -8.916 -25.324 -4.689 1.00 1.74 H new ATOM 1839 P DA B 2 -7.437 -22.300 -9.833 1.00 2.27 P ATOM 1840 OP1 DA B 2 -7.602 -21.716 -11.179 1.00 2.47 O ATOM 1841 OP2 DA B 2 -6.076 -22.779 -9.494 1.00 2.19 O ATOM 1842 O5' DA B 2 -7.926 -21.264 -8.724 1.00 2.12 O ATOM 1843 C5' DA B 2 -9.342 -20.966 -8.621 1.00 2.18 C ATOM 1844 C4' DA B 2 -9.534 -19.524 -8.215 1.00 2.16 C ATOM 1845 O4' DA B 2 -9.355 -19.419 -6.766 1.00 1.98 O ATOM 1846 C3' DA B 2 -8.535 -18.519 -8.789 1.00 2.19 C ATOM 1847 O3' DA B 2 -9.063 -17.194 -8.819 1.00 2.28 O ATOM 1848 C2' DA B 2 -7.386 -18.578 -7.797 1.00 1.97 C ATOM 1849 C1' DA B 2 -8.115 -18.802 -6.479 1.00 1.86 C ATOM 1850 N9 DA B 2 -7.380 -19.682 -5.529 1.00 1.69 N ATOM 1851 C8 DA B 2 -6.627 -20.790 -5.810 1.00 1.68 C ATOM 1852 N7 DA B 2 -6.114 -21.350 -4.756 1.00 1.57 N ATOM 1853 C5 DA B 2 -6.545 -20.551 -3.712 1.00 1.48 C ATOM 1854 C6 DA B 2 -6.340 -20.614 -2.318 1.00 1.40 C ATOM 1855 N6 DA B 2 -5.598 -21.565 -1.729 1.00 1.38 N ATOM 1856 N1 DA B 2 -6.921 -19.667 -1.565 1.00 1.40 N ATOM 1857 C2 DA B 2 -7.651 -18.729 -2.160 1.00 1.49 C ATOM 1858 N3 DA B 2 -7.922 -18.566 -3.437 1.00 1.58 N ATOM 1859 C4 DA B 2 -7.330 -19.529 -4.166 1.00 1.56 C ATOM 0 H5' DA B 2 -9.809 -21.625 -7.889 1.00 2.18 H new ATOM 0 H5'' DA B 2 -9.833 -21.153 -9.576 1.00 2.18 H new ATOM 0 H4' DA B 2 -10.525 -19.276 -8.595 1.00 2.16 H new ATOM 0 H3' DA B 2 -8.262 -18.756 -9.817 1.00 2.19 H new ATOM 0 H2' DA B 2 -6.694 -19.389 -8.023 1.00 1.97 H new ATOM 0 H2'' DA B 2 -6.805 -17.656 -7.790 1.00 1.97 H new ATOM 0 H1' DA B 2 -8.221 -17.827 -6.002 1.00 1.86 H new ATOM 0 H8 DA B 2 -6.474 -21.163 -6.812 1.00 1.68 H new ATOM 0 H61 DA B 2 -5.481 -21.566 -0.716 1.00 1.38 H new ATOM 0 H62 DA B 2 -5.151 -22.287 -2.295 1.00 1.38 H new ATOM 0 H2 DA B 2 -8.085 -17.994 -1.499 1.00 1.49 H new ATOM 1871 P DC B 3 -8.062 -15.953 -8.798 1.00 2.25 P ATOM 1872 OP1 DC B 3 -8.645 -14.829 -9.554 1.00 2.46 O ATOM 1873 OP2 DC B 3 -6.718 -16.401 -9.235 1.00 2.18 O ATOM 1874 O5' DC B 3 -8.024 -15.604 -7.242 1.00 2.07 O ATOM 1875 C5' DC B 3 -9.276 -15.523 -6.514 1.00 2.12 C ATOM 1876 C4' DC B 3 -9.176 -14.461 -5.444 1.00 2.08 C ATOM 1877 O4' DC B 3 -8.484 -15.026 -4.288 1.00 1.87 O ATOM 1878 C3' DC B 3 -8.367 -13.215 -5.797 1.00 2.12 C ATOM 1879 O3' DC B 3 -8.749 -12.086 -5.016 1.00 2.20 O ATOM 1880 C2' DC B 3 -6.948 -13.619 -5.432 1.00 1.90 C ATOM 1881 C1' DC B 3 -7.172 -14.501 -4.210 1.00 1.76 C ATOM 1882 N1 DC B 3 -6.228 -15.646 -4.116 1.00 1.58 N ATOM 1883 C2 DC B 3 -5.768 -16.008 -2.852 1.00 1.43 C ATOM 1884 O2 DC B 3 -6.154 -15.364 -1.867 1.00 1.46 O ATOM 1885 N3 DC B 3 -4.904 -17.050 -2.744 1.00 1.31 N ATOM 1886 C4 DC B 3 -4.505 -17.724 -3.829 1.00 1.34 C ATOM 1887 N4 DC B 3 -3.666 -18.733 -3.666 1.00 1.29 N ATOM 1888 C5 DC B 3 -4.960 -17.369 -5.137 1.00 1.50 C ATOM 1889 C6 DC B 3 -5.827 -16.324 -5.221 1.00 1.61 C ATOM 0 H5' DC B 3 -9.508 -16.487 -6.062 1.00 2.12 H new ATOM 0 H5'' DC B 3 -10.091 -15.288 -7.198 1.00 2.12 H new ATOM 0 H4' DC B 3 -10.210 -14.159 -5.281 1.00 2.08 H new ATOM 0 H3' DC B 3 -8.505 -12.920 -6.837 1.00 2.12 H new ATOM 0 H2' DC B 3 -6.457 -14.160 -6.241 1.00 1.90 H new ATOM 0 H2'' DC B 3 -6.324 -12.755 -5.202 1.00 1.90 H new ATOM 0 H1' DC B 3 -7.011 -13.878 -3.330 1.00 1.76 H new ATOM 0 H41 DC B 3 -3.345 -19.265 -4.475 1.00 1.29 H new ATOM 0 H42 DC B 3 -3.340 -18.979 -2.731 1.00 1.29 H new ATOM 0 H5 DC B 3 -4.631 -17.904 -6.016 1.00 1.50 H new ATOM 0 H6 DC B 3 -6.204 -16.027 -6.188 1.00 1.61 H new ATOM 1901 P DA B 4 -7.699 -10.909 -4.778 1.00 2.17 P ATOM 1902 OP1 DA B 4 -8.413 -9.622 -4.657 1.00 2.39 O ATOM 1903 OP2 DA B 4 -6.648 -10.974 -5.820 1.00 2.13 O ATOM 1904 O5' DA B 4 -7.074 -11.321 -3.369 1.00 1.97 O ATOM 1905 C5' DA B 4 -7.968 -11.708 -2.295 1.00 2.00 C ATOM 1906 C4' DA B 4 -7.397 -11.262 -0.969 1.00 1.94 C ATOM 1907 O4' DA B 4 -6.387 -12.232 -0.545 1.00 1.72 O ATOM 1908 C3' DA B 4 -6.659 -9.925 -0.964 1.00 1.99 C ATOM 1909 O3' DA B 4 -6.631 -9.330 0.331 1.00 2.06 O ATOM 1910 C2' DA B 4 -5.246 -10.316 -1.366 1.00 1.77 C ATOM 1911 C1' DA B 4 -5.095 -11.681 -0.707 1.00 1.61 C ATOM 1912 N9 DA B 4 -4.286 -12.645 -1.503 1.00 1.44 N ATOM 1913 C8 DA B 4 -4.257 -12.806 -2.861 1.00 1.47 C ATOM 1914 N7 DA B 4 -3.446 -13.742 -3.257 1.00 1.33 N ATOM 1915 C5 DA B 4 -2.896 -14.220 -2.079 1.00 1.19 C ATOM 1916 C6 DA B 4 -1.951 -15.234 -1.814 1.00 1.06 C ATOM 1917 N6 DA B 4 -1.372 -15.966 -2.781 1.00 1.05 N ATOM 1918 N1 DA B 4 -1.633 -15.461 -0.532 1.00 1.02 N ATOM 1919 C2 DA B 4 -2.212 -14.729 0.414 1.00 1.11 C ATOM 1920 N3 DA B 4 -3.103 -13.769 0.300 1.00 1.24 N ATOM 1921 C4 DA B 4 -3.405 -13.565 -0.997 1.00 1.26 C ATOM 0 H5' DA B 4 -8.107 -12.789 -2.297 1.00 2.00 H new ATOM 0 H5'' DA B 4 -8.950 -11.260 -2.448 1.00 2.00 H new ATOM 0 H4' DA B 4 -8.272 -11.171 -0.326 1.00 1.94 H new ATOM 0 H3' DA B 4 -7.135 -9.195 -1.618 1.00 1.99 H new ATOM 0 H2' DA B 4 -5.130 -10.371 -2.448 1.00 1.77 H new ATOM 0 H2'' DA B 4 -4.506 -9.603 -1.002 1.00 1.77 H new ATOM 0 H1' DA B 4 -4.575 -11.525 0.238 1.00 1.61 H new ATOM 0 H8 DA B 4 -4.851 -12.212 -3.540 1.00 1.47 H new ATOM 0 H61 DA B 4 -0.694 -16.688 -2.537 1.00 1.05 H new ATOM 0 H62 DA B 4 -1.611 -15.799 -3.759 1.00 1.05 H new ATOM 0 H2 DA B 4 -1.906 -14.956 1.424 1.00 1.11 H new ATOM 1933 P DA B 5 -5.465 -8.306 0.697 1.00 2.04 P ATOM 1934 OP1 DA B 5 -5.969 -7.297 1.650 1.00 2.25 O ATOM 1935 OP2 DA B 5 -4.868 -7.778 -0.553 1.00 2.01 O ATOM 1936 O5' DA B 5 -4.415 -9.264 1.422 1.00 1.83 O ATOM 1937 C5' DA B 5 -4.895 -10.189 2.429 1.00 1.84 C ATOM 1938 C4' DA B 5 -3.849 -10.361 3.506 1.00 1.79 C ATOM 1939 O4' DA B 5 -2.846 -11.317 3.035 1.00 1.56 O ATOM 1940 C3' DA B 5 -3.041 -9.115 3.870 1.00 1.85 C ATOM 1941 O3' DA B 5 -2.496 -9.193 5.186 1.00 1.93 O ATOM 1942 C2' DA B 5 -1.908 -9.139 2.858 1.00 1.64 C ATOM 1943 C1' DA B 5 -1.653 -10.633 2.700 1.00 1.47 C ATOM 1944 N9 DA B 5 -1.275 -11.033 1.318 1.00 1.29 N ATOM 1945 C8 DA B 5 -1.749 -10.541 0.133 1.00 1.33 C ATOM 1946 N7 DA B 5 -1.222 -11.105 -0.914 1.00 1.20 N ATOM 1947 C5 DA B 5 -0.332 -12.020 -0.383 1.00 1.03 C ATOM 1948 C6 DA B 5 0.548 -12.947 -0.979 1.00 0.89 C ATOM 1949 N6 DA B 5 0.675 -13.086 -2.309 1.00 0.91 N ATOM 1950 N1 DA B 5 1.286 -13.714 -0.161 1.00 0.84 N ATOM 1951 C2 DA B 5 1.153 -13.565 1.154 1.00 0.93 C ATOM 1952 N3 DA B 5 0.371 -12.750 1.828 1.00 1.07 N ATOM 1953 C4 DA B 5 -0.356 -11.998 0.982 1.00 1.10 C ATOM 0 H5' DA B 5 -5.122 -11.152 1.972 1.00 1.84 H new ATOM 0 H5'' DA B 5 -5.822 -9.817 2.865 1.00 1.84 H new ATOM 0 H4' DA B 5 -4.423 -10.664 4.382 1.00 1.79 H new ATOM 0 H3' DA B 5 -3.652 -8.212 3.851 1.00 1.85 H new ATOM 0 H2' DA B 5 -2.194 -8.672 1.915 1.00 1.64 H new ATOM 0 H2'' DA B 5 -1.026 -8.611 3.221 1.00 1.64 H new ATOM 0 H1' DA B 5 -0.816 -10.886 3.351 1.00 1.47 H new ATOM 0 H8 DA B 5 -2.491 -9.758 0.072 1.00 1.33 H new ATOM 0 H61 DA B 5 1.327 -13.772 -2.690 1.00 0.91 H new ATOM 0 H62 DA B 5 0.120 -12.505 -2.938 1.00 0.91 H new ATOM 0 H2 DA B 5 1.779 -14.207 1.756 1.00 0.93 H new ATOM 1965 P DT B 6 -1.190 -8.352 5.542 1.00 1.92 P ATOM 1966 OP1 DT B 6 -1.225 -7.955 6.964 1.00 2.14 O ATOM 1967 OP2 DT B 6 -1.037 -7.248 4.563 1.00 1.89 O ATOM 1968 O5' DT B 6 -0.042 -9.433 5.306 1.00 1.71 O ATOM 1969 C5' DT B 6 -0.209 -10.761 5.861 1.00 1.72 C ATOM 1970 C4' DT B 6 1.135 -11.314 6.278 1.00 1.68 C ATOM 1971 O4' DT B 6 1.812 -11.840 5.093 1.00 1.45 O ATOM 1972 C3' DT B 6 2.129 -10.312 6.863 1.00 1.76 C ATOM 1973 O3' DT B 6 3.100 -10.940 7.697 1.00 1.86 O ATOM 1974 C2' DT B 6 2.816 -9.755 5.627 1.00 1.55 C ATOM 1975 C1' DT B 6 2.860 -10.970 4.713 1.00 1.36 C ATOM 1976 N1 DT B 6 2.680 -10.645 3.273 1.00 1.16 N ATOM 1977 C2 DT B 6 3.427 -11.364 2.364 1.00 0.98 C ATOM 1978 O2 DT B 6 4.210 -12.236 2.697 1.00 0.99 O ATOM 1979 N3 DT B 6 3.227 -11.029 1.039 1.00 0.85 N ATOM 1980 C4 DT B 6 2.374 -10.065 0.555 1.00 0.93 C ATOM 1981 O4 DT B 6 2.280 -9.853 -0.659 1.00 0.91 O ATOM 1982 C5 DT B 6 1.638 -9.361 1.578 1.00 1.14 C ATOM 1983 C7 DT B 6 0.688 -8.305 1.097 1.00 1.31 C ATOM 1984 C6 DT B 6 1.802 -9.664 2.880 1.00 1.23 C ATOM 0 H5' DT B 6 -0.670 -11.418 5.124 1.00 1.72 H new ATOM 0 H5'' DT B 6 -0.880 -10.725 6.719 1.00 1.72 H new ATOM 0 H4' DT B 6 0.888 -12.042 7.051 1.00 1.68 H new ATOM 0 H3' DT B 6 1.636 -9.567 7.487 1.00 1.76 H new ATOM 0 H2' DT B 6 2.255 -8.932 5.185 1.00 1.55 H new ATOM 0 H2'' DT B 6 3.813 -9.377 5.851 1.00 1.55 H new ATOM 0 H1' DT B 6 3.849 -11.416 4.822 1.00 1.36 H new ATOM 0 H3 DT B 6 3.768 -11.550 0.349 1.00 0.85 H new ATOM 0 H71 DT B 6 -0.147 -8.222 1.793 1.00 1.31 H new ATOM 0 H72 DT B 6 1.207 -7.348 1.037 1.00 1.31 H new ATOM 0 H73 DT B 6 0.312 -8.576 0.110 1.00 1.31 H new ATOM 0 H6 DT B 6 1.235 -9.128 3.626 1.00 1.23 H new ATOM 1997 P DA B 7 4.517 -10.243 7.909 1.00 1.87 P ATOM 1998 OP1 DA B 7 5.030 -10.557 9.257 1.00 2.11 O ATOM 1999 OP2 DA B 7 4.406 -8.800 7.578 1.00 1.84 O ATOM 2000 O5' DA B 7 5.400 -10.974 6.804 1.00 1.65 O ATOM 2001 C5' DA B 7 5.327 -12.418 6.693 1.00 1.65 C ATOM 2002 C4' DA B 7 6.675 -12.970 6.294 1.00 1.62 C ATOM 2003 O4' DA B 7 6.830 -12.819 4.845 1.00 1.37 O ATOM 2004 C3' DA B 7 7.897 -12.268 6.878 1.00 1.73 C ATOM 2005 O3' DA B 7 9.043 -13.116 6.911 1.00 1.83 O ATOM 2006 C2' DA B 7 8.142 -11.136 5.893 1.00 1.51 C ATOM 2007 C1' DA B 7 7.746 -11.777 4.569 1.00 1.30 C ATOM 2008 N9 DA B 7 7.090 -10.836 3.620 1.00 1.09 N ATOM 2009 C8 DA B 7 6.210 -9.826 3.900 1.00 1.14 C ATOM 2010 N7 DA B 7 5.807 -9.180 2.846 1.00 0.99 N ATOM 2011 C5 DA B 7 6.477 -9.797 1.805 1.00 0.80 C ATOM 2012 C6 DA B 7 6.478 -9.576 0.412 1.00 0.64 C ATOM 2013 N6 DA B 7 5.752 -8.611 -0.178 1.00 0.69 N ATOM 2014 N1 DA B 7 7.248 -10.376 -0.342 1.00 0.57 N ATOM 2015 C2 DA B 7 7.963 -11.326 0.255 1.00 0.68 C ATOM 2016 N3 DA B 7 8.044 -11.636 1.530 1.00 0.84 N ATOM 2017 C4 DA B 7 7.261 -10.819 2.258 1.00 0.88 C ATOM 0 H5' DA B 7 4.576 -12.697 5.954 1.00 1.65 H new ATOM 0 H5'' DA B 7 5.014 -12.850 7.644 1.00 1.65 H new ATOM 0 H4' DA B 7 6.659 -13.993 6.671 1.00 1.62 H new ATOM 0 H3' DA B 7 7.730 -11.951 7.907 1.00 1.73 H new ATOM 0 H2' DA B 7 7.535 -10.259 6.120 1.00 1.51 H new ATOM 0 H2'' DA B 7 9.183 -10.812 5.894 1.00 1.51 H new ATOM 0 H1' DA B 7 8.664 -12.127 4.096 1.00 1.30 H new ATOM 0 H8 DA B 7 5.882 -9.588 4.901 1.00 1.14 H new ATOM 0 H61 DA B 7 5.788 -8.493 -1.190 1.00 0.69 H new ATOM 0 H62 DA B 7 5.165 -7.997 0.387 1.00 0.69 H new ATOM 0 H2 DA B 7 8.566 -11.932 -0.405 1.00 0.68 H new ATOM 2029 P DT B 8 10.499 -12.467 6.902 1.00 1.86 P ATOM 2030 OP1 DT B 8 11.430 -13.322 7.662 1.00 2.10 O ATOM 2031 OP2 DT B 8 10.407 -11.055 7.346 1.00 1.84 O ATOM 2032 O5' DT B 8 10.857 -12.513 5.349 1.00 1.63 O ATOM 2033 C5' DT B 8 10.617 -13.740 4.614 1.00 1.61 C ATOM 2034 C4' DT B 8 11.676 -13.911 3.550 1.00 1.57 C ATOM 2035 O4' DT B 8 11.314 -13.090 2.394 1.00 1.32 O ATOM 2036 C3' DT B 8 13.086 -13.450 3.914 1.00 1.70 C ATOM 2037 O3' DT B 8 14.085 -14.103 3.135 1.00 1.78 O ATOM 2038 C2' DT B 8 13.062 -11.972 3.556 1.00 1.49 C ATOM 2039 C1' DT B 8 12.161 -11.957 2.329 1.00 1.26 C ATOM 2040 N1 DT B 8 11.296 -10.751 2.234 1.00 1.06 N ATOM 2041 C2 DT B 8 11.084 -10.222 0.977 1.00 0.85 C ATOM 2042 O2 DT B 8 11.572 -10.702 -0.030 1.00 0.85 O ATOM 2043 N3 DT B 8 10.275 -9.104 0.937 1.00 0.71 N ATOM 2044 C4 DT B 8 9.678 -8.482 2.009 1.00 0.82 C ATOM 2045 O4 DT B 8 8.972 -7.481 1.848 1.00 0.80 O ATOM 2046 C5 DT B 8 9.960 -9.102 3.282 1.00 1.04 C ATOM 2047 C7 DT B 8 9.321 -8.462 4.479 1.00 1.22 C ATOM 2048 C6 DT B 8 10.739 -10.198 3.361 1.00 1.14 C ATOM 0 H5' DT B 8 9.628 -13.713 4.156 1.00 1.61 H new ATOM 0 H5'' DT B 8 10.630 -14.591 5.294 1.00 1.61 H new ATOM 0 H4' DT B 8 11.704 -14.988 3.382 1.00 1.57 H new ATOM 0 H3' DT B 8 13.329 -13.666 4.954 1.00 1.70 H new ATOM 0 H2' DT B 8 12.659 -11.363 4.365 1.00 1.49 H new ATOM 0 H2'' DT B 8 14.059 -11.590 3.335 1.00 1.49 H new ATOM 0 H1' DT B 8 12.813 -11.958 1.455 1.00 1.26 H new ATOM 0 H3 DT B 8 10.102 -8.697 0.018 1.00 0.71 H new ATOM 0 H71 DT B 8 9.133 -9.220 5.240 1.00 1.22 H new ATOM 0 H72 DT B 8 9.987 -7.700 4.883 1.00 1.22 H new ATOM 0 H73 DT B 8 8.378 -8.001 4.185 1.00 1.22 H new ATOM 0 H6 DT B 8 10.928 -10.648 4.324 1.00 1.14 H new ATOM 2061 P DA B 9 15.492 -13.390 2.910 1.00 1.82 P ATOM 2062 OP1 DA B 9 16.555 -14.409 2.791 1.00 2.06 O ATOM 2063 OP2 DA B 9 15.695 -12.363 3.959 1.00 1.83 O ATOM 2064 O5' DA B 9 15.265 -12.674 1.503 1.00 1.59 O ATOM 2065 C5' DA B 9 14.668 -13.433 0.422 1.00 1.55 C ATOM 2066 C4' DA B 9 15.254 -12.989 -0.898 1.00 1.52 C ATOM 2067 O4' DA B 9 14.578 -11.761 -1.321 1.00 1.27 O ATOM 2068 C3' DA B 9 16.736 -12.618 -0.893 1.00 1.65 C ATOM 2069 O3' DA B 9 17.326 -12.738 -2.185 1.00 1.73 O ATOM 2070 C2' DA B 9 16.718 -11.154 -0.484 1.00 1.46 C ATOM 2071 C1' DA B 9 15.442 -10.654 -1.147 1.00 1.23 C ATOM 2072 N9 DA B 9 14.712 -9.630 -0.351 1.00 1.04 N ATOM 2073 C8 DA B 9 14.555 -9.566 1.006 1.00 1.11 C ATOM 2074 N7 DA B 9 13.856 -8.546 1.402 1.00 0.98 N ATOM 2075 C5 DA B 9 13.542 -7.884 0.227 1.00 0.79 C ATOM 2076 C6 DA B 9 12.805 -6.711 -0.038 1.00 0.64 C ATOM 2077 N6 DA B 9 12.240 -5.967 0.929 1.00 0.71 N ATOM 2078 N1 DA B 9 12.676 -6.337 -1.319 1.00 0.57 N ATOM 2079 C2 DA B 9 13.240 -7.081 -2.266 1.00 0.66 C ATOM 2080 N3 DA B 9 13.940 -8.189 -2.152 1.00 0.79 N ATOM 2081 C4 DA B 9 14.051 -8.540 -0.858 1.00 0.84 C ATOM 0 H5' DA B 9 13.588 -13.289 0.418 1.00 1.55 H new ATOM 0 H5'' DA B 9 14.847 -14.498 0.570 1.00 1.55 H new ATOM 0 H4' DA B 9 15.121 -13.856 -1.545 1.00 1.52 H new ATOM 0 H3' DA B 9 17.316 -13.268 -0.238 1.00 1.65 H new ATOM 0 H2' DA B 9 16.689 -11.034 0.599 1.00 1.46 H new ATOM 0 H2'' DA B 9 17.599 -10.620 -0.841 1.00 1.46 H new ATOM 0 H1' DA B 9 15.734 -10.185 -2.087 1.00 1.23 H new ATOM 0 H8 DA B 9 14.973 -10.295 1.684 1.00 1.11 H new ATOM 0 H61 DA B 9 11.716 -5.126 0.685 1.00 0.71 H new ATOM 0 H62 DA B 9 12.335 -6.243 1.906 1.00 0.71 H new ATOM 0 H2 DA B 9 13.103 -6.723 -3.276 1.00 0.66 H new ATOM 2093 P DA B 10 18.617 -11.870 -2.538 1.00 1.78 P ATOM 2094 OP1 DA B 10 19.469 -12.611 -3.488 1.00 2.00 O ATOM 2095 OP2 DA B 10 19.272 -11.435 -1.282 1.00 1.80 O ATOM 2096 O5' DA B 10 17.963 -10.608 -3.259 1.00 1.56 O ATOM 2097 C5' DA B 10 16.953 -10.829 -4.275 1.00 1.52 C ATOM 2098 C4' DA B 10 17.065 -9.769 -5.346 1.00 1.50 C ATOM 2099 O4' DA B 10 16.393 -8.556 -4.874 1.00 1.26 O ATOM 2100 C3' DA B 10 18.476 -9.304 -5.699 1.00 1.63 C ATOM 2101 O3' DA B 10 18.548 -8.751 -7.011 1.00 1.72 O ATOM 2102 C2' DA B 10 18.737 -8.208 -4.680 1.00 1.46 C ATOM 2103 C1' DA B 10 17.358 -7.581 -4.526 1.00 1.24 C ATOM 2104 N9 DA B 10 17.059 -7.119 -3.146 1.00 1.07 N ATOM 2105 C8 DA B 10 17.405 -7.708 -1.959 1.00 1.12 C ATOM 2106 N7 DA B 10 16.990 -7.060 -0.912 1.00 1.02 N ATOM 2107 C5 DA B 10 16.337 -5.961 -1.444 1.00 0.85 C ATOM 2108 C6 DA B 10 15.662 -4.877 -0.846 1.00 0.74 C ATOM 2109 N6 DA B 10 15.551 -4.724 0.485 1.00 0.81 N ATOM 2110 N1 DA B 10 15.115 -3.964 -1.663 1.00 0.69 N ATOM 2111 C2 DA B 10 15.233 -4.124 -2.978 1.00 0.76 C ATOM 2112 N3 DA B 10 15.825 -5.085 -3.651 1.00 0.86 N ATOM 2113 C4 DA B 10 16.361 -5.985 -2.808 1.00 0.89 C ATOM 0 H5' DA B 10 15.960 -10.802 -3.826 1.00 1.52 H new ATOM 0 H5'' DA B 10 17.077 -11.818 -4.715 1.00 1.52 H new ATOM 0 H4' DA B 10 16.634 -10.244 -6.227 1.00 1.50 H new ATOM 0 H3' DA B 10 19.192 -10.125 -5.680 1.00 1.63 H new ATOM 0 H2' DA B 10 19.110 -8.608 -3.737 1.00 1.46 H new ATOM 0 H2'' DA B 10 19.475 -7.488 -5.035 1.00 1.46 H new ATOM 0 H1' DA B 10 17.333 -6.704 -5.172 1.00 1.24 H new ATOM 0 H8 DA B 10 17.970 -8.626 -1.899 1.00 1.12 H new ATOM 0 H61 DA B 10 15.051 -3.920 0.866 1.00 0.81 H new ATOM 0 H62 DA B 10 15.966 -5.411 1.114 1.00 0.81 H new ATOM 0 H2 DA B 10 14.776 -3.352 -3.580 1.00 0.76 H new ATOM 2125 P DC B 11 19.699 -7.703 -7.355 1.00 1.78 P ATOM 2126 OP1 DC B 11 20.084 -7.831 -8.774 1.00 2.00 O ATOM 2127 OP2 DC B 11 20.800 -7.843 -6.371 1.00 1.79 O ATOM 2128 O5' DC B 11 18.948 -6.317 -7.116 1.00 1.58 O ATOM 2129 C5' DC B 11 17.625 -6.135 -7.680 1.00 1.55 C ATOM 2130 C4' DC B 11 17.438 -4.693 -8.089 1.00 1.54 C ATOM 2131 O4' DC B 11 17.094 -3.909 -6.903 1.00 1.33 O ATOM 2132 C3' DC B 11 18.665 -3.987 -8.664 1.00 1.68 C ATOM 2133 O3' DC B 11 18.311 -2.881 -9.494 1.00 1.78 O ATOM 2134 C2' DC B 11 19.372 -3.471 -7.422 1.00 1.51 C ATOM 2135 C1' DC B 11 18.202 -3.121 -6.512 1.00 1.31 C ATOM 2136 N1 DC B 11 18.462 -3.387 -5.071 1.00 1.14 N ATOM 2137 C2 DC B 11 17.952 -2.484 -4.142 1.00 1.00 C ATOM 2138 O2 DC B 11 17.312 -1.503 -4.545 1.00 1.03 O ATOM 2139 N3 DC B 11 18.179 -2.706 -2.823 1.00 0.91 N ATOM 2140 C4 DC B 11 18.874 -3.777 -2.417 1.00 0.98 C ATOM 2141 N4 DC B 11 19.063 -3.949 -1.118 1.00 1.00 N ATOM 2142 C5 DC B 11 19.412 -4.716 -3.354 1.00 1.14 C ATOM 2143 C6 DC B 11 19.170 -4.473 -4.671 1.00 1.20 C ATOM 0 H5' DC B 11 16.866 -6.417 -6.950 1.00 1.55 H new ATOM 0 H5'' DC B 11 17.495 -6.787 -8.543 1.00 1.55 H new ATOM 0 H4' DC B 11 16.676 -4.741 -8.866 1.00 1.54 H new ATOM 0 H3' DC B 11 19.262 -4.652 -9.288 1.00 1.68 H new ATOM 0 H2' DC B 11 20.021 -4.226 -6.979 1.00 1.51 H new ATOM 0 H2'' DC B 11 19.994 -2.603 -7.638 1.00 1.51 H new ATOM 0 H1' DC B 11 18.025 -2.051 -6.617 1.00 1.31 H new ATOM 0 H41 DC B 11 19.588 -4.756 -0.782 1.00 1.00 H new ATOM 0 H42 DC B 11 18.683 -3.275 -0.454 1.00 1.00 H new ATOM 0 H5 DC B 11 19.982 -5.575 -3.032 1.00 1.14 H new ATOM 0 H6 DC B 11 19.550 -5.159 -5.414 1.00 1.20 H new ATOM 2155 P DG B 12 19.351 -1.690 -9.694 1.00 1.84 P ATOM 2156 OP1 DG B 12 19.187 -1.107 -11.042 1.00 2.07 O ATOM 2157 OP2 DG B 12 20.713 -2.168 -9.357 1.00 1.85 O ATOM 2158 O5' DG B 12 18.863 -0.653 -8.588 1.00 1.66 O ATOM 2159 C5' DG B 12 17.447 -0.357 -8.485 1.00 1.64 C ATOM 2160 C4' DG B 12 17.257 1.086 -8.078 1.00 1.65 C ATOM 2161 O4' DG B 12 17.433 1.191 -6.629 1.00 1.44 O ATOM 2162 C3' DG B 12 18.253 2.091 -8.652 1.00 1.78 C ATOM 2163 O3' DG B 12 17.727 3.415 -8.682 1.00 1.89 O ATOM 2164 C2' DG B 12 19.404 2.032 -7.660 1.00 1.62 C ATOM 2165 C1' DG B 12 18.674 1.807 -6.341 1.00 1.43 C ATOM 2166 N9 DG B 12 19.408 0.929 -5.392 1.00 1.27 N ATOM 2167 C8 DG B 12 20.171 -0.192 -5.651 1.00 1.29 C ATOM 2168 N7 DG B 12 20.691 -0.743 -4.584 1.00 1.20 N ATOM 2169 C5 DG B 12 20.242 0.064 -3.535 1.00 1.09 C ATOM 2170 C6 DG B 12 20.474 -0.036 -2.144 1.00 1.04 C ATOM 2171 O6 DG B 12 21.136 -0.869 -1.526 1.00 1.08 O ATOM 2172 N1 DG B 12 19.828 0.996 -1.441 1.00 1.03 N ATOM 2173 C2 DG B 12 19.064 1.991 -2.018 1.00 1.08 C ATOM 2174 N2 DG B 12 18.535 2.888 -1.178 1.00 1.16 N ATOM 2175 N3 DG B 12 18.840 2.079 -3.326 1.00 1.15 N ATOM 2176 C4 DG B 12 19.454 1.090 -4.024 1.00 1.14 C ATOM 0 H5' DG B 12 16.980 -1.016 -7.753 1.00 1.64 H new ATOM 0 H5'' DG B 12 16.956 -0.543 -9.440 1.00 1.64 H new ATOM 0 H4' DG B 12 16.266 1.334 -8.458 1.00 1.65 H new ATOM 0 H3' DG B 12 18.523 1.854 -9.681 1.00 1.78 H new ATOM 0 H2' DG B 12 20.097 1.221 -7.886 1.00 1.62 H new ATOM 0 H2'' DG B 12 19.984 2.955 -7.653 1.00 1.62 H new ATOM 0 H1' DG B 12 18.568 2.781 -5.863 1.00 1.43 H new ATOM 0 H8 DG B 12 20.325 -0.580 -6.647 1.00 1.29 H new ATOM 0 H1 DG B 12 19.932 1.011 -0.426 1.00 1.03 H new ATOM 0 H21 DG B 12 17.960 3.649 -1.540 1.00 1.16 H new ATOM 0 H22 DG B 12 18.707 2.811 -0.175 1.00 1.16 H new ATOM 2188 P DT B 13 18.728 4.656 -8.659 1.00 1.95 P ATOM 2189 OP1 DT B 13 18.144 5.780 -9.418 1.00 2.17 O ATOM 2190 OP2 DT B 13 20.071 4.208 -9.097 1.00 1.96 O ATOM 2191 O5' DT B 13 18.765 5.006 -7.105 1.00 1.78 O ATOM 2192 C5' DT B 13 17.513 5.087 -6.378 1.00 1.75 C ATOM 2193 C4' DT B 13 17.613 6.150 -5.307 1.00 1.76 C ATOM 2194 O4' DT B 13 18.306 5.584 -4.150 1.00 1.57 O ATOM 2195 C3' DT B 13 18.422 7.394 -5.660 1.00 1.89 C ATOM 2196 O3' DT B 13 18.041 8.523 -4.878 1.00 1.99 O ATOM 2197 C2' DT B 13 19.842 6.990 -5.294 1.00 1.75 C ATOM 2198 C1' DT B 13 19.617 6.109 -4.073 1.00 1.57 C ATOM 2199 N1 DT B 13 20.561 4.964 -3.978 1.00 1.42 N ATOM 2200 C2 DT B 13 21.010 4.618 -2.720 1.00 1.32 C ATOM 2201 O2 DT B 13 20.664 5.208 -1.712 1.00 1.35 O ATOM 2202 N3 DT B 13 21.882 3.549 -2.680 1.00 1.25 N ATOM 2203 C4 DT B 13 22.336 2.818 -3.753 1.00 1.28 C ATOM 2204 O4 DT B 13 23.123 1.877 -3.591 1.00 1.28 O ATOM 2205 C5 DT B 13 21.819 3.253 -5.027 1.00 1.39 C ATOM 2206 C7 DT B 13 22.281 2.480 -6.226 1.00 1.50 C ATOM 2207 C6 DT B 13 20.960 4.289 -5.105 1.00 1.45 C ATOM 0 H5' DT B 13 17.281 4.123 -5.926 1.00 1.75 H new ATOM 0 H5'' DT B 13 16.698 5.323 -7.063 1.00 1.75 H new ATOM 0 H4' DT B 13 16.579 6.452 -5.143 1.00 1.76 H new ATOM 0 H3' DT B 13 18.284 7.689 -6.700 1.00 1.89 H new ATOM 0 H2' DT B 13 20.333 6.449 -6.103 1.00 1.75 H new ATOM 0 H2'' DT B 13 20.465 7.854 -5.064 1.00 1.75 H new ATOM 0 H1' DT B 13 19.777 6.733 -3.194 1.00 1.57 H new ATOM 0 H3 DT B 13 22.225 3.273 -1.760 1.00 1.25 H new ATOM 0 H71 DT B 13 23.282 2.088 -6.043 1.00 1.50 H new ATOM 0 H72 DT B 13 21.596 1.653 -6.412 1.00 1.50 H new ATOM 0 H73 DT B 13 22.302 3.136 -7.096 1.00 1.50 H new ATOM 0 H6 DT B 13 20.580 4.593 -6.069 1.00 1.45 H new ATOM 2220 P DC B 14 19.090 9.701 -4.640 1.00 2.06 P ATOM 2221 OP1 DC B 14 18.376 10.988 -4.520 1.00 2.27 O ATOM 2222 OP2 DC B 14 20.141 9.637 -5.684 1.00 2.07 O ATOM 2223 O5' DC B 14 19.715 9.290 -3.232 1.00 1.90 O ATOM 2224 C5' DC B 14 18.820 8.902 -2.158 1.00 1.87 C ATOM 2225 C4' DC B 14 19.392 9.347 -0.832 1.00 1.89 C ATOM 2226 O4' DC B 14 20.402 8.378 -0.407 1.00 1.72 O ATOM 2227 C3' DC B 14 20.129 10.685 -0.826 1.00 2.02 C ATOM 2228 O3' DC B 14 20.158 11.280 0.469 1.00 2.12 O ATOM 2229 C2' DC B 14 21.543 10.294 -1.227 1.00 1.90 C ATOM 2230 C1' DC B 14 21.693 8.930 -0.569 1.00 1.74 C ATOM 2231 N1 DC B 14 22.502 7.966 -1.365 1.00 1.60 N ATOM 2232 C2 DC B 14 23.351 7.103 -0.675 1.00 1.52 C ATOM 2233 O2 DC B 14 23.404 7.174 0.559 1.00 1.56 O ATOM 2234 N3 DC B 14 24.098 6.220 -1.383 1.00 1.45 N ATOM 2235 C4 DC B 14 24.018 6.168 -2.719 1.00 1.46 C ATOM 2236 N4 DC B 14 24.765 5.283 -3.359 1.00 1.45 N ATOM 2237 C5 DC B 14 23.158 7.045 -3.448 1.00 1.55 C ATOM 2238 C6 DC B 14 22.416 7.922 -2.719 1.00 1.62 C ATOM 0 H5' DC B 14 18.681 7.821 -2.160 1.00 1.87 H new ATOM 0 H5'' DC B 14 17.838 9.350 -2.310 1.00 1.87 H new ATOM 0 H4' DC B 14 18.516 9.436 -0.189 1.00 1.89 H new ATOM 0 H3' DC B 14 19.652 11.415 -1.480 1.00 2.02 H new ATOM 0 H2' DC B 14 21.660 10.240 -2.309 1.00 1.90 H new ATOM 0 H2'' DC B 14 22.282 11.007 -0.862 1.00 1.90 H new ATOM 0 H1' DC B 14 22.213 9.087 0.376 1.00 1.74 H new ATOM 0 H41 DC B 14 24.724 5.222 -4.376 1.00 1.45 H new ATOM 0 H42 DC B 14 25.382 4.662 -2.835 1.00 1.45 H new ATOM 0 H5 DC B 14 23.100 7.013 -4.526 1.00 1.55 H new ATOM 0 H6 DC B 14 21.744 8.597 -3.228 1.00 1.62 H new ATOM 2250 P DG B 15 21.324 12.304 0.836 1.00 2.21 P ATOM 2251 OP1 DG B 15 20.820 13.313 1.787 1.00 2.40 O ATOM 2252 OP2 DG B 15 21.921 12.833 -0.415 1.00 2.21 O ATOM 2253 O5' DG B 15 22.373 11.346 1.558 1.00 2.07 O ATOM 2254 C5' DG B 15 21.893 10.420 2.567 1.00 2.04 C ATOM 2255 C4' DG B 15 22.939 10.250 3.643 1.00 2.08 C ATOM 2256 O4' DG B 15 23.942 9.294 3.173 1.00 1.93 O ATOM 2257 C3' DG B 15 23.748 11.494 4.007 1.00 2.21 C ATOM 2258 O3' DG B 15 24.293 11.416 5.323 1.00 2.32 O ATOM 2259 C2' DG B 15 24.881 11.470 2.995 1.00 2.10 C ATOM 2260 C1' DG B 15 25.136 9.977 2.836 1.00 1.95 C ATOM 2261 N9 DG B 15 25.514 9.576 1.455 1.00 1.82 N ATOM 2262 C8 DG B 15 25.049 10.056 0.248 1.00 1.80 C ATOM 2263 N7 DG B 15 25.593 9.489 -0.797 1.00 1.72 N ATOM 2264 C5 DG B 15 26.481 8.560 -0.253 1.00 1.67 C ATOM 2265 C6 DG B 15 27.351 7.646 -0.892 1.00 1.63 C ATOM 2266 O6 DG B 15 27.529 7.456 -2.094 1.00 1.62 O ATOM 2267 N1 DG B 15 28.079 6.892 0.045 1.00 1.65 N ATOM 2268 C2 DG B 15 27.977 7.014 1.413 1.00 1.72 C ATOM 2269 N2 DG B 15 28.757 6.208 2.140 1.00 1.80 N ATOM 2270 N3 DG B 15 27.153 7.869 2.015 1.00 1.77 N ATOM 2271 C4 DG B 15 26.436 8.607 1.129 1.00 1.73 C ATOM 0 H5' DG B 15 21.667 9.456 2.111 1.00 2.04 H new ATOM 0 H5'' DG B 15 20.966 10.792 3.003 1.00 2.04 H new ATOM 0 H4' DG B 15 22.364 9.949 4.519 1.00 2.08 H new ATOM 0 H3' DG B 15 23.137 12.397 3.988 1.00 2.21 H new ATOM 0 H2' DG B 15 24.596 11.937 2.053 1.00 2.10 H new ATOM 0 H2'' DG B 15 25.763 11.998 3.358 1.00 2.10 H new ATOM 0 HO3' DG B 15 24.804 12.230 5.514 1.00 2.32 H new ATOM 0 H1' DG B 15 25.974 9.724 3.486 1.00 1.95 H new ATOM 0 H8 DG B 15 24.301 10.832 0.173 1.00 1.80 H new ATOM 0 H1 DG B 15 28.735 6.200 -0.317 1.00 1.65 H new ATOM 0 H21 DG B 15 28.726 6.251 3.159 1.00 1.80 H new ATOM 0 H22 DG B 15 29.383 5.549 1.676 1.00 1.80 H new TER 2284 DG B 15 ATOM 2285 OP3 DC C 16 35.596 3.249 -3.492 1.00 2.40 O ATOM 2286 P DC C 16 35.186 1.741 -3.186 1.00 2.45 P ATOM 2287 OP1 DC C 16 36.425 0.926 -3.108 1.00 2.66 O ATOM 2288 OP2 DC C 16 34.108 1.351 -4.130 1.00 2.37 O ATOM 2289 O5' DC C 16 34.560 1.837 -1.720 1.00 2.36 O ATOM 2290 C5' DC C 16 35.319 2.391 -0.615 1.00 2.43 C ATOM 2291 C4' DC C 16 34.583 2.147 0.682 1.00 2.41 C ATOM 2292 O4' DC C 16 33.539 3.163 0.824 1.00 2.24 O ATOM 2293 C3' DC C 16 33.836 0.821 0.799 1.00 2.43 C ATOM 2294 O3' DC C 16 33.640 0.431 2.157 1.00 2.51 O ATOM 2295 C2' DC C 16 32.487 1.134 0.170 1.00 2.22 C ATOM 2296 C1' DC C 16 32.270 2.583 0.590 1.00 2.12 C ATOM 2297 N1 DC C 16 31.577 3.407 -0.438 1.00 1.96 N ATOM 2298 C2 DC C 16 30.659 4.356 0.001 1.00 1.85 C ATOM 2299 O2 DC C 16 30.452 4.473 1.215 1.00 1.89 O ATOM 2300 N3 DC C 16 30.016 5.114 -0.920 1.00 1.75 N ATOM 2301 C4 DC C 16 30.260 4.962 -2.227 1.00 1.76 C ATOM 2302 N4 DC C 16 29.606 5.733 -3.083 1.00 1.72 N ATOM 2303 C5 DC C 16 31.195 3.991 -2.703 1.00 1.88 C ATOM 2304 C6 DC C 16 31.831 3.242 -1.762 1.00 1.97 C ATOM 0 H5' DC C 16 35.468 3.460 -0.764 1.00 2.43 H new ATOM 0 H5'' DC C 16 36.308 1.934 -0.575 1.00 2.43 H new ATOM 0 H4' DC C 16 35.371 2.161 1.435 1.00 2.41 H new ATOM 0 H3' DC C 16 34.382 0.004 0.328 1.00 2.43 H new ATOM 0 H2' DC C 16 32.506 1.022 -0.914 1.00 2.22 H new ATOM 0 H2'' DC C 16 31.700 0.479 0.544 1.00 2.22 H new ATOM 0 H1' DC C 16 31.635 2.569 1.476 1.00 2.12 H new ATOM 0 H41 DC C 16 29.773 5.638 -4.085 1.00 1.72 H new ATOM 0 H42 DC C 16 28.936 6.421 -2.740 1.00 1.72 H new ATOM 0 H5 DC C 16 31.387 3.859 -3.758 1.00 1.88 H new ATOM 0 H6 DC C 16 32.552 2.501 -2.074 1.00 1.97 H new ATOM 2317 P DG C 17 32.428 -0.534 2.528 1.00 2.47 P ATOM 2318 OP1 DG C 17 32.799 -1.383 3.677 1.00 2.67 O ATOM 2319 OP2 DG C 17 31.986 -1.254 1.308 1.00 2.40 O ATOM 2320 O5' DG C 17 31.307 0.514 2.961 1.00 2.30 O ATOM 2321 C5' DG C 17 31.666 1.585 3.867 1.00 2.35 C ATOM 2322 C4' DG C 17 30.497 1.910 4.766 1.00 2.31 C ATOM 2323 O4' DG C 17 29.571 2.774 4.034 1.00 2.11 O ATOM 2324 C3' DG C 17 29.638 0.729 5.213 1.00 2.34 C ATOM 2325 O3' DG C 17 28.934 1.001 6.423 1.00 2.42 O ATOM 2326 C2' DG C 17 28.639 0.588 4.076 1.00 2.12 C ATOM 2327 C1' DG C 17 28.421 2.037 3.662 1.00 1.99 C ATOM 2328 N9 DG C 17 28.222 2.219 2.198 1.00 1.83 N ATOM 2329 C8 DG C 17 28.828 1.564 1.146 1.00 1.83 C ATOM 2330 N7 DG C 17 28.423 1.961 -0.033 1.00 1.71 N ATOM 2331 C5 DG C 17 27.485 2.955 0.247 1.00 1.61 C ATOM 2332 C6 DG C 17 26.711 3.752 -0.626 1.00 1.50 C ATOM 2333 O6 DG C 17 26.686 3.755 -1.856 1.00 1.48 O ATOM 2334 N1 DG C 17 25.879 4.635 0.086 1.00 1.48 N ATOM 2335 C2 DG C 17 25.808 4.724 1.462 1.00 1.57 C ATOM 2336 N2 DG C 17 24.954 5.625 1.952 1.00 1.60 N ATOM 2337 N3 DG C 17 26.544 3.978 2.284 1.00 1.67 N ATOM 2338 C4 DG C 17 27.357 3.117 1.616 1.00 1.68 C ATOM 0 H5' DG C 17 31.958 2.470 3.301 1.00 2.35 H new ATOM 0 H5'' DG C 17 32.527 1.292 4.467 1.00 2.35 H new ATOM 0 H4' DG C 17 30.961 2.348 5.650 1.00 2.31 H new ATOM 0 H3' DG C 17 30.238 -0.160 5.409 1.00 2.34 H new ATOM 0 H2' DG C 17 29.034 -0.015 3.258 1.00 2.12 H new ATOM 0 H2'' DG C 17 27.714 0.114 4.403 1.00 2.12 H new ATOM 0 H1' DG C 17 27.512 2.378 4.158 1.00 1.99 H new ATOM 0 H8 DG C 17 29.571 0.792 1.283 1.00 1.83 H new ATOM 0 H1 DG C 17 25.281 5.258 -0.457 1.00 1.48 H new ATOM 0 H21 DG C 17 24.856 5.739 2.961 1.00 1.60 H new ATOM 0 H22 DG C 17 24.400 6.200 1.318 1.00 1.60 H new ATOM 2350 P DA C 18 27.585 0.212 6.738 1.00 2.38 P ATOM 2351 OP1 DA C 18 27.439 0.039 8.197 1.00 2.59 O ATOM 2352 OP2 DA C 18 27.543 -1.029 5.929 1.00 2.33 O ATOM 2353 O5' DA C 18 26.487 1.234 6.198 1.00 2.18 O ATOM 2354 C5' DA C 18 26.597 2.634 6.562 1.00 2.21 C ATOM 2355 C4' DA C 18 25.218 3.232 6.719 1.00 2.15 C ATOM 2356 O4' DA C 18 24.700 3.566 5.393 1.00 1.93 O ATOM 2357 C3' DA C 18 24.150 2.323 7.322 1.00 2.19 C ATOM 2358 O3' DA C 18 23.089 3.062 7.923 1.00 2.25 O ATOM 2359 C2' DA C 18 23.616 1.577 6.111 1.00 1.97 C ATOM 2360 C1' DA C 18 23.697 2.639 5.023 1.00 1.82 C ATOM 2361 N9 DA C 18 24.052 2.098 3.682 1.00 1.66 N ATOM 2362 C8 DA C 18 24.927 1.090 3.380 1.00 1.69 C ATOM 2363 N7 DA C 18 25.024 0.851 2.105 1.00 1.57 N ATOM 2364 C5 DA C 18 24.145 1.752 1.532 1.00 1.44 C ATOM 2365 C6 DA C 18 23.786 2.010 0.192 1.00 1.32 C ATOM 2366 N6 DA C 18 24.297 1.329 -0.848 1.00 1.32 N ATOM 2367 N1 DA C 18 22.890 2.981 -0.032 1.00 1.27 N ATOM 2368 C2 DA C 18 22.389 3.647 1.004 1.00 1.35 C ATOM 2369 N3 DA C 18 22.643 3.508 2.288 1.00 1.46 N ATOM 2370 C4 DA C 18 23.547 2.529 2.481 1.00 1.49 C ATOM 0 H5' DA C 18 27.153 3.176 5.797 1.00 2.21 H new ATOM 0 H5'' DA C 18 27.155 2.734 7.493 1.00 2.21 H new ATOM 0 H4' DA C 18 25.374 4.071 7.397 1.00 2.15 H new ATOM 0 H3' DA C 18 24.555 1.687 8.109 1.00 2.19 H new ATOM 0 H2' DA C 18 24.220 0.702 5.872 1.00 1.97 H new ATOM 0 H2'' DA C 18 22.595 1.228 6.265 1.00 1.97 H new ATOM 0 H1' DA C 18 22.707 3.088 4.939 1.00 1.82 H new ATOM 0 H8 DA C 18 25.484 0.545 4.128 1.00 1.69 H new ATOM 0 H61 DA C 18 24.004 1.555 -1.799 1.00 1.32 H new ATOM 0 H62 DA C 18 24.978 0.587 -0.687 1.00 1.32 H new ATOM 0 H2 DA C 18 21.669 4.413 0.756 1.00 1.35 H new ATOM 2382 P DC C 19 21.649 2.394 8.062 1.00 2.21 P ATOM 2383 OP1 DC C 19 20.976 2.905 9.272 1.00 2.41 O ATOM 2384 OP2 DC C 19 21.784 0.920 7.971 1.00 2.18 O ATOM 2385 O5' DC C 19 20.916 2.940 6.755 1.00 2.00 O ATOM 2386 C5' DC C 19 21.019 4.349 6.437 1.00 2.01 C ATOM 2387 C4' DC C 19 19.738 4.824 5.792 1.00 1.95 C ATOM 2388 O4' DC C 19 19.761 4.451 4.377 1.00 1.73 O ATOM 2389 C3' DC C 19 18.444 4.208 6.323 1.00 1.99 C ATOM 2390 O3' DC C 19 17.313 5.042 6.081 1.00 2.05 O ATOM 2391 C2' DC C 19 18.311 2.937 5.497 1.00 1.78 C ATOM 2392 C1' DC C 19 18.876 3.371 4.150 1.00 1.62 C ATOM 2393 N1 DC C 19 19.634 2.303 3.446 1.00 1.46 N ATOM 2394 C2 DC C 19 19.510 2.221 2.061 1.00 1.30 C ATOM 2395 O2 DC C 19 18.777 3.031 1.478 1.00 1.30 O ATOM 2396 N3 DC C 19 20.192 1.254 1.400 1.00 1.20 N ATOM 2397 C4 DC C 19 20.976 0.393 2.062 1.00 1.28 C ATOM 2398 N4 DC C 19 21.623 -0.529 1.366 1.00 1.26 N ATOM 2399 C5 DC C 19 21.116 0.454 3.483 1.00 1.46 C ATOM 2400 C6 DC C 19 20.426 1.434 4.125 1.00 1.54 C ATOM 0 H5' DC C 19 21.860 4.519 5.765 1.00 2.01 H new ATOM 0 H5'' DC C 19 21.215 4.922 7.343 1.00 2.01 H new ATOM 0 H4' DC C 19 19.719 5.893 6.004 1.00 1.95 H new ATOM 0 H3' DC C 19 18.478 4.053 7.401 1.00 1.99 H new ATOM 0 H2' DC C 19 18.875 2.110 5.928 1.00 1.78 H new ATOM 0 H2'' DC C 19 17.275 2.609 5.418 1.00 1.78 H new ATOM 0 H1' DC C 19 18.029 3.636 3.517 1.00 1.62 H new ATOM 0 H41 DC C 19 22.227 -1.198 1.844 1.00 1.26 H new ATOM 0 H42 DC C 19 21.517 -0.570 0.352 1.00 1.26 H new ATOM 0 H5 DC C 19 21.740 -0.245 4.021 1.00 1.46 H new ATOM 0 H6 DC C 19 20.510 1.523 5.198 1.00 1.54 H new ATOM 2412 P DG C 20 15.862 4.387 5.991 1.00 2.03 P ATOM 2413 OP1 DG C 20 14.852 5.340 6.490 1.00 2.23 O ATOM 2414 OP2 DG C 20 15.883 3.059 6.655 1.00 2.01 O ATOM 2415 O5' DG C 20 15.700 4.192 4.417 1.00 1.81 O ATOM 2416 C5' DG C 20 16.042 5.293 3.538 1.00 1.82 C ATOM 2417 C4' DG C 20 15.124 5.291 2.338 1.00 1.77 C ATOM 2418 O4' DG C 20 15.618 4.305 1.375 1.00 1.54 O ATOM 2419 C3' DG C 20 13.676 4.879 2.590 1.00 1.83 C ATOM 2420 O3' DG C 20 12.788 5.397 1.604 1.00 1.90 O ATOM 2421 C2' DG C 20 13.729 3.364 2.469 1.00 1.62 C ATOM 2422 C1' DG C 20 14.776 3.169 1.378 1.00 1.45 C ATOM 2423 N9 DG C 20 15.634 1.971 1.577 1.00 1.28 N ATOM 2424 C8 DG C 20 16.138 1.442 2.747 1.00 1.33 C ATOM 2425 N7 DG C 20 16.862 0.365 2.578 1.00 1.22 N ATOM 2426 C5 DG C 20 16.845 0.160 1.197 1.00 1.05 C ATOM 2427 C6 DG C 20 17.456 -0.848 0.418 1.00 0.94 C ATOM 2428 O6 DG C 20 18.157 -1.792 0.781 1.00 0.97 O ATOM 2429 N1 DG C 20 17.178 -0.678 -0.950 1.00 0.87 N ATOM 2430 C2 DG C 20 16.404 0.332 -1.483 1.00 0.95 C ATOM 2431 N2 DG C 20 16.249 0.322 -2.810 1.00 0.99 N ATOM 2432 N3 DG C 20 15.834 1.286 -0.749 1.00 1.07 N ATOM 2433 C4 DG C 20 16.094 1.143 0.578 1.00 1.10 C ATOM 0 H5' DG C 20 17.079 5.204 3.215 1.00 1.82 H new ATOM 0 H5'' DG C 20 15.955 6.239 4.073 1.00 1.82 H new ATOM 0 H4' DG C 20 15.128 6.329 2.006 1.00 1.77 H new ATOM 0 H3' DG C 20 13.308 5.249 3.547 1.00 1.83 H new ATOM 0 H2' DG C 20 14.023 2.890 3.406 1.00 1.62 H new ATOM 0 H2'' DG C 20 12.764 2.943 2.188 1.00 1.62 H new ATOM 0 H1' DG C 20 14.238 3.030 0.440 1.00 1.45 H new ATOM 0 H8 DG C 20 15.952 1.878 3.717 1.00 1.33 H new ATOM 0 H1 DG C 20 17.580 -1.354 -1.599 1.00 0.87 H new ATOM 0 H21 DG C 20 15.688 1.043 -3.263 1.00 0.99 H new ATOM 0 H22 DG C 20 16.692 -0.407 -3.370 1.00 0.99 H new ATOM 2445 P DT C 21 11.412 4.645 1.315 1.00 1.90 P ATOM 2446 OP1 DT C 21 10.383 5.626 0.912 1.00 2.12 O ATOM 2447 OP2 DT C 21 11.071 3.789 2.477 1.00 1.88 O ATOM 2448 O5' DT C 21 11.806 3.725 0.075 1.00 1.69 O ATOM 2449 C5' DT C 21 12.540 4.316 -1.028 1.00 1.70 C ATOM 2450 C4' DT C 21 12.117 3.669 -2.328 1.00 1.66 C ATOM 2451 O4' DT C 21 12.829 2.399 -2.471 1.00 1.42 O ATOM 2452 C3' DT C 21 10.642 3.291 -2.449 1.00 1.74 C ATOM 2453 O3' DT C 21 10.219 3.207 -3.807 1.00 1.83 O ATOM 2454 C2' DT C 21 10.595 1.907 -1.823 1.00 1.53 C ATOM 2455 C1' DT C 21 11.939 1.323 -2.238 1.00 1.33 C ATOM 2456 N1 DT C 21 12.553 0.438 -1.212 1.00 1.14 N ATOM 2457 C2 DT C 21 13.222 -0.680 -1.661 1.00 0.96 C ATOM 2458 O2 DT C 21 13.323 -0.956 -2.843 1.00 0.97 O ATOM 2459 N3 DT C 21 13.777 -1.469 -0.673 1.00 0.84 N ATOM 2460 C4 DT C 21 13.719 -1.250 0.682 1.00 0.94 C ATOM 2461 O4 DT C 21 14.257 -2.035 1.475 1.00 0.94 O ATOM 2462 C5 DT C 21 12.996 -0.061 1.060 1.00 1.13 C ATOM 2463 C7 DT C 21 12.913 0.222 2.530 1.00 1.30 C ATOM 2464 C6 DT C 21 12.446 0.738 0.123 1.00 1.22 C ATOM 0 H5' DT C 21 13.611 4.184 -0.877 1.00 1.70 H new ATOM 0 H5'' DT C 21 12.354 5.389 -1.068 1.00 1.70 H new ATOM 0 H4' DT C 21 12.337 4.427 -3.080 1.00 1.66 H new ATOM 0 H3' DT C 21 9.991 4.028 -1.978 1.00 1.74 H new ATOM 0 H2' DT C 21 10.488 1.953 -0.739 1.00 1.53 H new ATOM 0 H2'' DT C 21 9.760 1.317 -2.201 1.00 1.53 H new ATOM 0 H1' DT C 21 11.762 0.713 -3.124 1.00 1.33 H new ATOM 0 H3 DT C 21 14.282 -2.300 -0.981 1.00 0.84 H new ATOM 0 H71 DT C 21 12.931 -0.717 3.083 1.00 1.30 H new ATOM 0 H72 DT C 21 13.761 0.837 2.831 1.00 1.30 H new ATOM 0 H73 DT C 21 11.986 0.752 2.747 1.00 1.30 H new ATOM 0 H6 DT C 21 11.914 1.627 0.428 1.00 1.22 H new ATOM 2477 P DT C 22 8.973 2.286 -4.183 1.00 1.85 P ATOM 2478 OP1 DT C 22 8.253 2.865 -5.332 1.00 2.09 O ATOM 2479 OP2 DT C 22 8.161 2.042 -2.964 1.00 1.83 O ATOM 2480 O5' DT C 22 9.697 0.932 -4.616 1.00 1.63 O ATOM 2481 C5' DT C 22 10.827 1.004 -5.521 1.00 1.63 C ATOM 2482 C4' DT C 22 10.840 -0.208 -6.421 1.00 1.59 C ATOM 2483 O4' DT C 22 11.432 -1.329 -5.690 1.00 1.34 O ATOM 2484 C3' DT C 22 9.478 -0.732 -6.872 1.00 1.69 C ATOM 2485 O3' DT C 22 9.563 -1.479 -8.083 1.00 1.79 O ATOM 2486 C2' DT C 22 9.081 -1.663 -5.738 1.00 1.48 C ATOM 2487 C1' DT C 22 10.423 -2.248 -5.320 1.00 1.26 C ATOM 2488 N1 DT C 22 10.544 -2.491 -3.857 1.00 1.06 N ATOM 2489 C2 DT C 22 11.224 -3.623 -3.459 1.00 0.86 C ATOM 2490 O2 DT C 22 11.715 -4.409 -4.250 1.00 0.87 O ATOM 2491 N3 DT C 22 11.312 -3.807 -2.095 1.00 0.72 N ATOM 2492 C4 DT C 22 10.793 -2.987 -1.119 1.00 0.82 C ATOM 2493 O4 DT C 22 10.937 -3.257 0.080 1.00 0.82 O ATOM 2494 C5 DT C 22 10.096 -1.830 -1.628 1.00 1.04 C ATOM 2495 C7 DT C 22 9.522 -0.903 -0.601 1.00 1.21 C ATOM 2496 C6 DT C 22 9.996 -1.614 -2.954 1.00 1.13 C ATOM 0 H5' DT C 22 11.756 1.057 -4.954 1.00 1.63 H new ATOM 0 H5'' DT C 22 10.767 1.913 -6.120 1.00 1.63 H new ATOM 0 H4' DT C 22 11.386 0.129 -7.302 1.00 1.59 H new ATOM 0 H3' DT C 22 8.774 0.077 -7.068 1.00 1.69 H new ATOM 0 H2' DT C 22 8.598 -1.127 -4.921 1.00 1.48 H new ATOM 0 H2'' DT C 22 8.385 -2.434 -6.069 1.00 1.48 H new ATOM 0 H1' DT C 22 10.519 -3.214 -5.816 1.00 1.26 H new ATOM 0 H3 DT C 22 11.813 -4.636 -1.777 1.00 0.72 H new ATOM 0 H71 DT C 22 9.255 -1.469 0.291 1.00 1.21 H new ATOM 0 H72 DT C 22 10.261 -0.144 -0.342 1.00 1.21 H new ATOM 0 H73 DT C 22 8.632 -0.420 -1.004 1.00 1.21 H new ATOM 0 H6 DT C 22 9.477 -0.737 -3.312 1.00 1.13 H new ATOM 2509 P DA C 23 8.452 -2.579 -8.403 1.00 1.82 P ATOM 2510 OP1 DA C 23 8.249 -2.672 -9.862 1.00 2.06 O ATOM 2511 OP2 DA C 23 7.241 -2.298 -7.596 1.00 1.81 O ATOM 2512 O5' DA C 23 9.154 -3.905 -7.864 1.00 1.58 O ATOM 2513 C5' DA C 23 10.535 -4.159 -8.225 1.00 1.56 C ATOM 2514 C4' DA C 23 10.756 -5.646 -8.384 1.00 1.53 C ATOM 2515 O4' DA C 23 10.942 -6.237 -7.058 1.00 1.27 O ATOM 2516 C3' DA C 23 9.603 -6.442 -8.992 1.00 1.64 C ATOM 2517 O3' DA C 23 10.046 -7.657 -9.594 1.00 1.73 O ATOM 2518 C2' DA C 23 8.742 -6.768 -7.782 1.00 1.44 C ATOM 2519 C1' DA C 23 9.786 -6.964 -6.692 1.00 1.21 C ATOM 2520 N9 DA C 23 9.353 -6.485 -5.351 1.00 1.01 N ATOM 2521 C8 DA C 23 8.604 -5.379 -5.049 1.00 1.06 C ATOM 2522 N7 DA C 23 8.395 -5.227 -3.774 1.00 0.92 N ATOM 2523 C5 DA C 23 9.037 -6.310 -3.201 1.00 0.72 C ATOM 2524 C6 DA C 23 9.189 -6.725 -1.862 1.00 0.57 C ATOM 2525 N6 DA C 23 8.662 -6.056 -0.822 1.00 0.64 N ATOM 2526 N1 DA C 23 9.895 -7.843 -1.639 1.00 0.51 N ATOM 2527 C2 DA C 23 10.412 -8.497 -2.675 1.00 0.61 C ATOM 2528 N3 DA C 23 10.347 -8.212 -3.958 1.00 0.75 N ATOM 2529 C4 DA C 23 9.635 -7.087 -4.151 1.00 0.79 C ATOM 0 H5' DA C 23 11.200 -3.763 -7.458 1.00 1.56 H new ATOM 0 H5'' DA C 23 10.778 -3.644 -9.154 1.00 1.56 H new ATOM 0 H4' DA C 23 11.609 -5.711 -9.060 1.00 1.53 H new ATOM 0 H3' DA C 23 9.094 -5.886 -9.779 1.00 1.64 H new ATOM 0 H2' DA C 23 8.051 -5.960 -7.544 1.00 1.44 H new ATOM 0 H2'' DA C 23 8.142 -7.665 -7.938 1.00 1.44 H new ATOM 0 H1' DA C 23 9.963 -8.036 -6.610 1.00 1.21 H new ATOM 0 H8 DA C 23 8.224 -4.699 -5.797 1.00 1.06 H new ATOM 0 H61 DA C 23 8.801 -6.399 0.128 1.00 0.64 H new ATOM 0 H62 DA C 23 8.123 -5.205 -0.983 1.00 0.64 H new ATOM 0 H2 DA C 23 10.965 -9.391 -2.428 1.00 0.61 H new ATOM 2541 P DT C 24 9.026 -8.874 -9.737 1.00 1.76 P ATOM 2542 OP1 DT C 24 9.350 -9.655 -10.947 1.00 2.00 O ATOM 2543 OP2 DT C 24 7.638 -8.362 -9.647 1.00 1.77 O ATOM 2544 O5' DT C 24 9.361 -9.726 -8.430 1.00 1.53 O ATOM 2545 C5' DT C 24 10.750 -9.991 -8.108 1.00 1.51 C ATOM 2546 C4' DT C 24 10.874 -11.354 -7.467 1.00 1.48 C ATOM 2547 O4' DT C 24 10.517 -11.237 -6.052 1.00 1.23 O ATOM 2548 C3' DT C 24 9.945 -12.443 -8.001 1.00 1.60 C ATOM 2549 O3' DT C 24 10.458 -13.751 -7.762 1.00 1.69 O ATOM 2550 C2' DT C 24 8.682 -12.243 -7.178 1.00 1.40 C ATOM 2551 C1' DT C 24 9.244 -11.813 -5.831 1.00 1.18 C ATOM 2552 N1 DT C 24 8.407 -10.806 -5.125 1.00 0.99 N ATOM 2553 C2 DT C 24 8.303 -10.919 -3.755 1.00 0.79 C ATOM 2554 O2 DT C 24 8.861 -11.797 -3.121 1.00 0.82 O ATOM 2555 N3 DT C 24 7.517 -9.964 -3.143 1.00 0.67 N ATOM 2556 C4 DT C 24 6.842 -8.935 -3.759 1.00 0.77 C ATOM 2557 O4 DT C 24 6.165 -8.136 -3.102 1.00 0.78 O ATOM 2558 C5 DT C 24 7.005 -8.898 -5.193 1.00 0.99 C ATOM 2559 C7 DT C 24 6.295 -7.788 -5.908 1.00 1.18 C ATOM 2560 C6 DT C 24 7.770 -9.811 -5.825 1.00 1.07 C ATOM 0 H5' DT C 24 11.129 -9.225 -7.432 1.00 1.51 H new ATOM 0 H5'' DT C 24 11.358 -9.947 -9.012 1.00 1.51 H new ATOM 0 H4' DT C 24 11.901 -11.650 -7.679 1.00 1.48 H new ATOM 0 H3' DT C 24 9.805 -12.368 -9.079 1.00 1.60 H new ATOM 0 H2' DT C 24 8.031 -11.483 -7.609 1.00 1.40 H new ATOM 0 H2'' DT C 24 8.096 -13.159 -7.102 1.00 1.40 H new ATOM 0 H1' DT C 24 9.280 -12.702 -5.202 1.00 1.18 H new ATOM 0 H3 DT C 24 7.427 -10.027 -2.129 1.00 0.67 H new ATOM 0 H71 DT C 24 5.391 -7.522 -5.360 1.00 1.18 H new ATOM 0 H72 DT C 24 6.950 -6.919 -5.972 1.00 1.18 H new ATOM 0 H73 DT C 24 6.027 -8.115 -6.913 1.00 1.18 H new ATOM 0 H6 DT C 24 7.883 -9.759 -6.898 1.00 1.07 H new ATOM 2573 P DA C 25 9.449 -14.983 -7.677 1.00 1.73 P ATOM 2574 OP1 DA C 25 10.111 -16.205 -8.176 1.00 1.96 O ATOM 2575 OP2 DA C 25 8.175 -14.619 -8.340 1.00 1.74 O ATOM 2576 O5' DA C 25 9.216 -15.092 -6.103 1.00 1.52 O ATOM 2577 C5' DA C 25 10.366 -15.049 -5.221 1.00 1.50 C ATOM 2578 C4' DA C 25 10.124 -15.936 -4.022 1.00 1.49 C ATOM 2579 O4' DA C 25 9.297 -15.207 -3.060 1.00 1.26 O ATOM 2580 C3' DA C 25 9.352 -17.229 -4.280 1.00 1.62 C ATOM 2581 O3' DA C 25 9.621 -18.221 -3.292 1.00 1.72 O ATOM 2582 C2' DA C 25 7.901 -16.786 -4.159 1.00 1.43 C ATOM 2583 C1' DA C 25 7.982 -15.727 -3.068 1.00 1.22 C ATOM 2584 N9 DA C 25 7.046 -14.589 -3.267 1.00 1.02 N ATOM 2585 C8 DA C 25 6.684 -13.982 -4.440 1.00 1.06 C ATOM 2586 N7 DA C 25 5.844 -13.003 -4.283 1.00 0.94 N ATOM 2587 C5 DA C 25 5.627 -12.969 -2.917 1.00 0.78 C ATOM 2588 C6 DA C 25 4.826 -12.142 -2.103 1.00 0.68 C ATOM 2589 N6 DA C 25 4.056 -11.155 -2.591 1.00 0.74 N ATOM 2590 N1 DA C 25 4.848 -12.370 -0.781 1.00 0.65 N ATOM 2591 C2 DA C 25 5.613 -13.351 -0.309 1.00 0.74 C ATOM 2592 N3 DA C 25 6.401 -14.181 -0.957 1.00 0.84 N ATOM 2593 C4 DA C 25 6.360 -13.928 -2.278 1.00 0.85 C ATOM 0 H5' DA C 25 10.549 -14.025 -4.896 1.00 1.50 H new ATOM 0 H5'' DA C 25 11.258 -15.378 -5.755 1.00 1.50 H new ATOM 0 H4' DA C 25 11.127 -16.199 -3.686 1.00 1.49 H new ATOM 0 H3' DA C 25 9.616 -17.678 -5.237 1.00 1.62 H new ATOM 0 H2' DA C 25 7.520 -16.379 -5.095 1.00 1.43 H new ATOM 0 H2'' DA C 25 7.245 -17.610 -3.879 1.00 1.43 H new ATOM 0 H1' DA C 25 7.708 -16.212 -2.131 1.00 1.22 H new ATOM 0 H8 DA C 25 7.061 -14.288 -5.405 1.00 1.06 H new ATOM 0 H61 DA C 25 3.495 -10.585 -1.958 1.00 0.74 H new ATOM 0 H62 DA C 25 4.033 -10.975 -3.595 1.00 0.74 H new ATOM 0 H2 DA C 25 5.582 -13.485 0.762 1.00 0.74 H new ATOM 2605 P DT C 26 8.538 -19.358 -3.008 1.00 1.77 P ATOM 2606 OP1 DT C 26 9.217 -20.604 -2.608 1.00 2.01 O ATOM 2607 OP2 DT C 26 7.624 -19.463 -4.173 1.00 1.77 O ATOM 2608 O5' DT C 26 7.746 -18.741 -1.770 1.00 1.58 O ATOM 2609 C5' DT C 26 8.504 -18.187 -0.665 1.00 1.57 C ATOM 2610 C4' DT C 26 7.769 -18.430 0.632 1.00 1.58 C ATOM 2611 O4' DT C 26 6.725 -17.414 0.775 1.00 1.35 O ATOM 2612 C3' DT C 26 7.022 -19.757 0.749 1.00 1.70 C ATOM 2613 O3' DT C 26 6.827 -20.146 2.107 1.00 1.82 O ATOM 2614 C2' DT C 26 5.675 -19.445 0.120 1.00 1.52 C ATOM 2615 C1' DT C 26 5.457 -17.995 0.540 1.00 1.32 C ATOM 2616 N1 DT C 26 4.763 -17.172 -0.488 1.00 1.13 N ATOM 2617 C2 DT C 26 3.856 -16.236 -0.038 1.00 0.98 C ATOM 2618 O2 DT C 26 3.611 -16.069 1.142 1.00 1.02 O ATOM 2619 N3 DT C 26 3.237 -15.495 -1.025 1.00 0.87 N ATOM 2620 C4 DT C 26 3.438 -15.606 -2.382 1.00 0.92 C ATOM 2621 O4 DT C 26 2.821 -14.882 -3.174 1.00 0.93 O ATOM 2622 C5 DT C 26 4.400 -16.612 -2.758 1.00 1.08 C ATOM 2623 C7 DT C 26 4.657 -16.761 -4.228 1.00 1.23 C ATOM 2624 C6 DT C 26 5.028 -17.350 -1.824 1.00 1.17 C ATOM 0 H5' DT C 26 8.653 -17.118 -0.814 1.00 1.57 H new ATOM 0 H5'' DT C 26 9.493 -18.644 -0.625 1.00 1.57 H new ATOM 0 H4' DT C 26 8.557 -18.415 1.385 1.00 1.58 H new ATOM 0 H3' DT C 26 7.567 -20.575 0.278 1.00 1.70 H new ATOM 0 H2' DT C 26 5.695 -19.557 -0.964 1.00 1.52 H new ATOM 0 H2'' DT C 26 4.889 -20.101 0.494 1.00 1.52 H new ATOM 0 H1' DT C 26 4.822 -18.009 1.426 1.00 1.32 H new ATOM 0 H3 DT C 26 2.563 -14.794 -0.717 1.00 0.87 H new ATOM 0 H71 DT C 26 3.757 -16.498 -4.783 1.00 1.23 H new ATOM 0 H72 DT C 26 5.472 -16.100 -4.524 1.00 1.23 H new ATOM 0 H73 DT C 26 4.929 -17.793 -4.447 1.00 1.23 H new ATOM 0 H6 DT C 26 5.750 -18.093 -2.129 1.00 1.17 H new ATOM 2637 P DT C 27 5.615 -21.113 2.478 1.00 1.88 P ATOM 2638 OP1 DT C 27 5.984 -21.961 3.628 1.00 2.12 O ATOM 2639 OP2 DT C 27 5.173 -21.832 1.258 1.00 1.87 O ATOM 2640 O5' DT C 27 4.493 -20.063 2.910 1.00 1.69 O ATOM 2641 C5' DT C 27 4.853 -18.992 3.818 1.00 1.68 C ATOM 2642 C4' DT C 27 3.683 -18.668 4.716 1.00 1.69 C ATOM 2643 O4' DT C 27 2.757 -17.804 3.985 1.00 1.47 O ATOM 2644 C3' DT C 27 2.823 -19.849 5.163 1.00 1.82 C ATOM 2645 O3' DT C 27 2.120 -19.577 6.372 1.00 1.93 O ATOM 2646 C2' DT C 27 1.826 -19.989 4.026 1.00 1.65 C ATOM 2647 C1' DT C 27 1.608 -18.540 3.611 1.00 1.45 C ATOM 2648 N1 DT C 27 1.408 -18.359 2.148 1.00 1.27 N ATOM 2649 C2 DT C 27 0.491 -17.410 1.750 1.00 1.14 C ATOM 2650 O2 DT C 27 -0.143 -16.733 2.542 1.00 1.18 O ATOM 2651 N3 DT C 27 0.339 -17.273 0.384 1.00 1.03 N ATOM 2652 C4 DT C 27 1.000 -17.984 -0.590 1.00 1.07 C ATOM 2653 O4 DT C 27 0.778 -17.775 -1.788 1.00 1.06 O ATOM 2654 C5 DT C 27 1.935 -18.959 -0.080 1.00 1.21 C ATOM 2655 C7 DT C 27 2.684 -19.752 -1.108 1.00 1.33 C ATOM 2656 C6 DT C 27 2.116 -19.114 1.246 1.00 1.30 C ATOM 0 H5' DT C 27 5.146 -18.107 3.253 1.00 1.68 H new ATOM 0 H5'' DT C 27 5.714 -19.286 4.419 1.00 1.68 H new ATOM 0 H4' DT C 27 4.147 -18.231 5.600 1.00 1.69 H new ATOM 0 H3' DT C 27 3.422 -20.738 5.360 1.00 1.82 H new ATOM 0 H2' DT C 27 2.222 -20.592 3.209 1.00 1.65 H new ATOM 0 H2'' DT C 27 0.900 -20.463 4.352 1.00 1.65 H new ATOM 0 H1' DT C 27 0.699 -18.197 4.106 1.00 1.45 H new ATOM 0 H3 DT C 27 -0.332 -16.574 0.065 1.00 1.03 H new ATOM 0 H71 DT C 27 2.070 -19.860 -2.002 1.00 1.33 H new ATOM 0 H72 DT C 27 3.609 -19.235 -1.363 1.00 1.33 H new ATOM 0 H73 DT C 27 2.918 -20.738 -0.707 1.00 1.33 H new ATOM 0 H6 DT C 27 2.828 -19.843 1.605 1.00 1.30 H new ATOM 2669 P DG C 28 0.771 -20.365 6.689 1.00 1.99 P ATOM 2670 OP1 DG C 28 0.626 -20.539 8.147 1.00 2.23 O ATOM 2671 OP2 DG C 28 0.730 -21.607 5.879 1.00 1.99 O ATOM 2672 O5' DG C 28 -0.327 -19.343 6.149 1.00 1.81 O ATOM 2673 C5' DG C 28 -0.217 -17.944 6.511 1.00 1.79 C ATOM 2674 C4' DG C 28 -1.596 -17.346 6.669 1.00 1.80 C ATOM 2675 O4' DG C 28 -2.114 -17.012 5.343 1.00 1.60 O ATOM 2676 C3' DG C 28 -2.665 -18.255 7.274 1.00 1.93 C ATOM 2677 O3' DG C 28 -3.725 -17.515 7.873 1.00 2.04 O ATOM 2678 C2' DG C 28 -3.198 -19.000 6.061 1.00 1.78 C ATOM 2679 C1' DG C 28 -3.117 -17.938 4.974 1.00 1.59 C ATOM 2680 N9 DG C 28 -2.762 -18.480 3.633 1.00 1.43 N ATOM 2681 C8 DG C 28 -1.885 -19.491 3.304 1.00 1.44 C ATOM 2682 N7 DG C 28 -1.801 -19.730 2.020 1.00 1.33 N ATOM 2683 C5 DG C 28 -2.682 -18.809 1.448 1.00 1.24 C ATOM 2684 C6 DG C 28 -3.015 -18.587 0.092 1.00 1.17 C ATOM 2685 O6 DG C 28 -2.598 -19.159 -0.914 1.00 1.18 O ATOM 2686 N1 DG C 28 -3.959 -17.552 -0.042 1.00 1.19 N ATOM 2687 C2 DG C 28 -4.507 -16.840 1.006 1.00 1.27 C ATOM 2688 N2 DG C 28 -5.395 -15.898 0.676 1.00 1.35 N ATOM 2689 N3 DG C 28 -4.188 -17.046 2.281 1.00 1.33 N ATOM 2690 C4 DG C 28 -3.273 -18.040 2.433 1.00 1.31 C ATOM 0 H5' DG C 28 0.338 -17.403 5.745 1.00 1.79 H new ATOM 0 H5'' DG C 28 0.342 -17.842 7.441 1.00 1.79 H new ATOM 0 H4' DG C 28 -1.440 -16.507 7.347 1.00 1.80 H new ATOM 0 H3' DG C 28 -2.262 -18.891 8.062 1.00 1.93 H new ATOM 0 H2' DG C 28 -2.593 -19.875 5.822 1.00 1.78 H new ATOM 0 H2'' DG C 28 -4.219 -19.350 6.214 1.00 1.78 H new ATOM 0 H1' DG C 28 -4.106 -17.488 4.891 1.00 1.59 H new ATOM 0 H8 DG C 28 -1.317 -20.038 4.041 1.00 1.44 H new ATOM 0 H1 DG C 28 -4.261 -17.309 -0.985 1.00 1.19 H new ATOM 0 H21 DG C 28 -5.837 -15.336 1.404 1.00 1.35 H new ATOM 0 H22 DG C 28 -5.631 -15.741 -0.304 1.00 1.35 H new ATOM 2702 P DT C 29 -5.165 -18.185 8.013 1.00 2.11 P ATOM 2703 OP1 DT C 29 -5.838 -17.671 9.223 1.00 2.33 O ATOM 2704 OP2 DT C 29 -5.030 -19.657 7.922 1.00 2.12 O ATOM 2705 O5' DT C 29 -5.897 -17.637 6.707 1.00 1.95 O ATOM 2706 C5' DT C 29 -5.794 -16.228 6.387 1.00 1.92 C ATOM 2707 C4' DT C 29 -7.076 -15.755 5.743 1.00 1.94 C ATOM 2708 O4' DT C 29 -7.053 -16.126 4.327 1.00 1.76 O ATOM 2709 C3' DT C 29 -8.370 -16.370 6.273 1.00 2.08 C ATOM 2710 O3' DT C 29 -9.502 -15.535 6.032 1.00 2.19 O ATOM 2711 C2' DT C 29 -8.502 -17.640 5.447 1.00 1.95 C ATOM 2712 C1' DT C 29 -7.938 -17.205 4.102 1.00 1.77 C ATOM 2713 N1 DT C 29 -7.181 -18.274 3.397 1.00 1.62 N ATOM 2714 C2 DT C 29 -7.313 -18.343 2.024 1.00 1.52 C ATOM 2715 O2 DT C 29 -8.016 -17.574 1.392 1.00 1.57 O ATOM 2716 N3 DT C 29 -6.591 -19.348 1.412 1.00 1.43 N ATOM 2717 C4 DT C 29 -5.774 -20.267 2.031 1.00 1.45 C ATOM 2718 O4 DT C 29 -5.176 -21.127 1.373 1.00 1.42 O ATOM 2719 C5 DT C 29 -5.700 -20.120 3.464 1.00 1.56 C ATOM 2720 C7 DT C 29 -4.814 -21.098 4.179 1.00 1.65 C ATOM 2721 C6 DT C 29 -6.385 -19.147 4.097 1.00 1.64 C ATOM 0 H5' DT C 29 -4.954 -16.059 5.713 1.00 1.92 H new ATOM 0 H5'' DT C 29 -5.597 -15.653 7.292 1.00 1.92 H new ATOM 0 H4' DT C 29 -7.095 -14.686 5.957 1.00 1.94 H new ATOM 0 H3' DT C 29 -8.336 -16.525 7.351 1.00 2.08 H new ATOM 0 H2' DT C 29 -7.937 -18.467 5.878 1.00 1.95 H new ATOM 0 H2'' DT C 29 -9.538 -17.969 5.367 1.00 1.95 H new ATOM 0 HO3' DT C 29 -10.308 -15.967 6.385 1.00 2.19 H new ATOM 0 H1' DT C 29 -8.786 -16.938 3.471 1.00 1.77 H new ATOM 0 H3 DT C 29 -6.671 -19.417 0.397 1.00 1.43 H new ATOM 0 H71 DT C 29 -4.792 -22.039 3.629 1.00 1.65 H new ATOM 0 H72 DT C 29 -3.804 -20.693 4.246 1.00 1.65 H new ATOM 0 H73 DT C 29 -5.201 -21.274 5.183 1.00 1.65 H new ATOM 0 H6 DT C 29 -6.307 -19.053 5.170 1.00 1.64 H new TER 2735 DT C 29