USER MOD reduce.3.24.130724 H: found=0, std=0, add=1241, rem=0, adj=40 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 70 SER OG : rot 140:sc= -1.35 USER MOD Set 1.2: B 8 DT C7 :methyl -30:sc= -7.91! (180deg=-9.98!) USER MOD Set 2.1: A 76 CYS SG : rot -154:sc= 0.0291 USER MOD Set 2.2: B 6 DT C7 :methyl -30:sc= -5.93! (180deg=-8.28!) USER MOD Set 3.1: A 58 LYS NZ :NH3+ -146:sc= -0.184 (180deg=-0.255) USER MOD Set 3.2: A 71 THR OG1 : rot -36:sc= 0.64 USER MOD Set 3.3: A 75 THR OG1 : rot -100:sc= 0.0819 USER MOD Set 3.4: C 21 DT C7 :methyl 150:sc= -5.5! (180deg=-5.13!) USER MOD Set 3.5: C 22 DT C7 :methyl -30:sc= -4.19! (180deg=-5.18!) USER MOD Set 4.1: A 56 GLN :FLIP amide:sc= -0.342 F(o=-1.1,f=-0.34) USER MOD Set 4.2: A 59 HIS :FLIP no HD1:sc= 0 X(o=-0.54,f=-0.34) USER MOD Set 5.1: A 50 THR OG1 : rot 92:sc= 0.561 USER MOD Set 5.2: A 104 LYS NZ :NH3+ -162:sc= -0.0261 (180deg=-0.242) USER MOD Set 6.1: A 31 LYS NZ :NH3+ 134:sc= -1.05 (180deg=-2.92!) USER MOD Set 6.2: A 34 ASN : amide:sc= -1.36! X(o=-2.4!,f=-2.5) USER MOD Set 7.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 7.2: A 16 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.16) USER MOD Single : A 1 ARG N :NH3+ -164:sc= 1.07 (180deg=0.592) USER MOD Single : A 5 GLN : amide:sc= 1.25 K(o=1.2,f=-7.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.0193 USER MOD Single : A 15 MET CE :methyl 153:sc= -1.73 (180deg=-2.39!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 70:sc= 0.186 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 37 THR OG1 : rot -2:sc= 0.169 USER MOD Single : A 38 MET CE :methyl 167:sc= -0.0081 (180deg=-0.259) USER MOD Single : A 40 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.037) USER MOD Single : A 43 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.2) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0.12 (180deg=0.12) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 78:sc= 0.612 USER MOD Single : A 61 TYR OH : rot 180:sc= 0.686 USER MOD Single : A 67 ASN : amide:sc= -0.398 K(o=-0.4,f=-2.6!) USER MOD Single : A 72 SER OG : rot -81:sc= 1.18 USER MOD Single : A 77 THR OG1 : rot -176:sc= -0.498 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -6.17! C(o=-7.6!,f=-6.2!) USER MOD Single : A 81 TYR OH : rot 26:sc= 1.28 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -165:sc= 1.26 (180deg=1) USER MOD Single : A 98 LYS NZ :NH3+ -139:sc= -0.492 (180deg=-2.82!) USER MOD Single : A 107 LYS NZ :NH3+ -179:sc= -0.804 (180deg=-0.805) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 13 DT C7 :methyl -30:sc= -3.75! (180deg=-5.08!) USER MOD Single : B 15 DG O3' : rot 180:sc= 0 USER MOD Single : C 24 DT C7 :methyl -30:sc= -3.87! (180deg=-5.1!) USER MOD Single : C 26 DT C7 :methyl -30:sc= -3.85! (180deg=-5.11!) USER MOD Single : C 27 DT C7 :methyl -30:sc= -4.15! (180deg=-5.04!) USER MOD Single : C 29 DT C7 :methyl -30:sc= -3.67! (180deg=-5.06!) USER MOD Single : C 29 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -14.143 9.533 13.418 1.00 1.75 N ATOM 2 CA ARG A 1 -14.290 8.053 13.520 1.00 1.74 C ATOM 3 C ARG A 1 -15.620 7.539 12.961 1.00 1.77 C ATOM 4 O ARG A 1 -15.647 6.734 12.021 1.00 1.74 O ATOM 5 CB ARG A 1 -14.009 7.574 14.966 1.00 1.77 C ATOM 6 CG ARG A 1 -13.940 6.043 15.133 1.00 1.77 C ATOM 7 CD ARG A 1 -15.262 5.439 15.632 1.00 1.83 C ATOM 8 NE ARG A 1 -15.199 3.971 15.664 1.00 1.84 N ATOM 9 CZ ARG A 1 -14.801 3.181 16.638 1.00 1.86 C ATOM 10 NH1 ARG A 1 -14.376 3.628 17.785 1.00 1.89 N ATOM 11 NH2 ARG A 1 -14.834 1.897 16.446 1.00 1.87 N ATOM 0 H1 ARG A 1 -13.145 9.793 13.552 1.00 1.75 H new ATOM 0 H2 ARG A 1 -14.460 9.849 12.479 1.00 1.75 H new ATOM 0 H3 ARG A 1 -14.721 9.991 14.151 1.00 1.75 H new ATOM 0 HA ARG A 1 -13.533 7.605 12.876 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -13.066 8.006 15.301 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -14.788 7.963 15.621 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -13.676 5.589 14.178 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -13.144 5.794 15.835 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -15.484 5.818 16.630 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -16.078 5.756 14.982 1.00 1.83 H new ATOM 0 HE ARG A 1 -15.506 3.499 14.813 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -14.341 4.632 17.960 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -14.078 2.974 18.509 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -15.163 1.523 15.556 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -14.531 1.263 17.185 1.00 1.87 H new ATOM 27 N ALA A 2 -16.736 7.964 13.563 1.00 1.84 N ATOM 28 CA ALA A 2 -18.050 7.378 13.278 1.00 1.89 C ATOM 29 C ALA A 2 -18.531 7.616 11.838 1.00 1.88 C ATOM 30 O ALA A 2 -19.108 6.720 11.226 1.00 1.89 O ATOM 31 CB ALA A 2 -19.054 7.921 14.302 1.00 1.97 C ATOM 0 H ALA A 2 -16.755 8.715 14.253 1.00 1.84 H new ATOM 0 HA ALA A 2 -17.964 6.295 13.367 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -20.039 7.496 14.107 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -18.733 7.646 15.307 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -19.105 9.007 14.221 1.00 1.97 H new ATOM 37 N ASP A 3 -18.247 8.791 11.273 1.00 1.87 N ATOM 38 CA ASP A 3 -18.625 9.112 9.892 1.00 1.88 C ATOM 39 C ASP A 3 -17.767 8.378 8.846 1.00 1.81 C ATOM 40 O ASP A 3 -18.289 8.001 7.798 1.00 1.82 O ATOM 41 CB ASP A 3 -18.528 10.631 9.699 1.00 1.90 C ATOM 42 CG ASP A 3 -19.108 11.086 8.350 1.00 1.92 C ATOM 43 OD1 ASP A 3 -20.342 10.961 8.151 1.00 1.98 O ATOM 44 OD2 ASP A 3 -18.345 11.613 7.505 1.00 1.89 O ATOM 0 H ASP A 3 -17.753 9.543 11.754 1.00 1.87 H new ATOM 0 HA ASP A 3 -19.648 8.769 9.734 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -19.059 11.132 10.508 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -17.484 10.937 9.765 1.00 1.90 H new ATOM 49 N GLU A 4 -16.493 8.089 9.155 1.00 1.74 N ATOM 50 CA GLU A 4 -15.651 7.273 8.269 1.00 1.68 C ATOM 51 C GLU A 4 -16.179 5.839 8.257 1.00 1.69 C ATOM 52 O GLU A 4 -16.394 5.260 7.194 1.00 1.68 O ATOM 53 CB GLU A 4 -14.187 7.275 8.733 1.00 1.62 C ATOM 54 CG GLU A 4 -13.547 8.670 8.806 1.00 1.61 C ATOM 55 CD GLU A 4 -13.605 9.237 10.235 1.00 1.65 C ATOM 56 OE1 GLU A 4 -14.694 9.643 10.709 1.00 1.71 O ATOM 57 OE2 GLU A 4 -12.571 9.231 10.940 1.00 1.62 O ATOM 0 H GLU A 4 -16.027 8.406 10.005 1.00 1.74 H new ATOM 0 HA GLU A 4 -15.690 7.700 7.267 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -14.130 6.810 9.717 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -13.602 6.655 8.053 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -12.510 8.614 8.476 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -14.063 9.345 8.123 1.00 1.61 H new ATOM 64 N GLN A 5 -16.485 5.291 9.441 1.00 1.72 N ATOM 65 CA GLN A 5 -17.093 3.964 9.520 1.00 1.75 C ATOM 66 C GLN A 5 -18.448 3.903 8.794 1.00 1.81 C ATOM 67 O GLN A 5 -18.651 3.015 7.967 1.00 1.81 O ATOM 68 CB GLN A 5 -17.190 3.460 10.965 1.00 1.78 C ATOM 69 CG GLN A 5 -15.801 3.102 11.535 1.00 1.73 C ATOM 70 CD GLN A 5 -15.860 1.908 12.483 1.00 1.77 C ATOM 71 OE1 GLN A 5 -15.802 2.034 13.700 1.00 1.80 O ATOM 72 NE2 GLN A 5 -15.982 0.702 11.970 1.00 1.77 N ATOM 0 H GLN A 5 -16.323 5.741 10.342 1.00 1.72 H new ATOM 0 HA GLN A 5 -16.425 3.282 8.994 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -17.654 4.225 11.588 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -17.837 2.583 11.003 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -15.119 2.879 10.714 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -15.393 3.964 12.063 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -16.032 0.581 10.958 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -16.027 -0.111 12.584 1.00 1.77 H new ATOM 81 N ALA A 6 -19.339 4.878 8.998 1.00 1.86 N ATOM 82 CA ALA A 6 -20.601 4.967 8.261 1.00 1.92 C ATOM 83 C ALA A 6 -20.384 5.015 6.736 1.00 1.90 C ATOM 84 O ALA A 6 -20.975 4.214 6.002 1.00 1.92 O ATOM 85 CB ALA A 6 -21.387 6.184 8.765 1.00 1.98 C ATOM 0 H ALA A 6 -19.205 5.626 9.678 1.00 1.86 H new ATOM 0 HA ALA A 6 -21.181 4.063 8.447 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -22.329 6.259 8.222 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -21.590 6.070 9.830 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -20.801 7.089 8.602 1.00 1.98 H new ATOM 91 N PHE A 7 -19.484 5.876 6.242 1.00 1.85 N ATOM 92 CA PHE A 7 -19.204 5.962 4.808 1.00 1.83 C ATOM 93 C PHE A 7 -18.367 4.791 4.268 1.00 1.77 C ATOM 94 O PHE A 7 -18.408 4.546 3.056 1.00 1.78 O ATOM 95 CB PHE A 7 -18.703 7.367 4.411 1.00 1.82 C ATOM 96 CG PHE A 7 -17.226 7.733 4.509 1.00 1.75 C ATOM 97 CD1 PHE A 7 -16.269 7.096 3.691 1.00 1.69 C ATOM 98 CD2 PHE A 7 -16.832 8.860 5.259 1.00 1.75 C ATOM 99 CE1 PHE A 7 -14.944 7.554 3.654 1.00 1.63 C ATOM 100 CE2 PHE A 7 -15.498 9.310 5.237 1.00 1.69 C ATOM 101 CZ PHE A 7 -14.549 8.652 4.437 1.00 1.63 C ATOM 0 H PHE A 7 -18.940 6.520 6.816 1.00 1.85 H new ATOM 0 HA PHE A 7 -20.154 5.836 4.288 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -19.005 7.533 3.377 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -19.251 8.085 5.021 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -16.559 6.248 3.088 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -17.562 9.384 5.858 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -14.223 7.060 3.020 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -15.205 10.160 5.835 1.00 1.69 H new ATOM 0 HZ PHE A 7 -13.523 8.988 4.424 1.00 1.63 H new ATOM 111 N LEU A 8 -17.723 3.983 5.133 1.00 1.73 N ATOM 112 CA LEU A 8 -17.085 2.758 4.624 1.00 1.69 C ATOM 113 C LEU A 8 -18.024 1.548 4.729 1.00 1.75 C ATOM 114 O LEU A 8 -17.793 0.551 4.053 1.00 1.73 O ATOM 115 CB LEU A 8 -15.749 2.516 5.355 1.00 1.63 C ATOM 116 CG LEU A 8 -14.507 2.583 4.453 1.00 1.56 C ATOM 117 CD1 LEU A 8 -14.402 1.319 3.607 1.00 1.55 C ATOM 118 CD2 LEU A 8 -14.431 3.830 3.567 1.00 1.55 C ATOM 0 H LEU A 8 -17.633 4.144 6.136 1.00 1.73 H new ATOM 0 HA LEU A 8 -16.872 2.893 3.564 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -15.645 3.255 6.150 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -15.783 1.537 5.833 1.00 1.63 H new ATOM 0 HG LEU A 8 -13.654 2.655 5.128 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -13.518 1.379 2.972 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -14.322 0.450 4.260 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -15.291 1.224 2.983 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -13.523 3.794 2.965 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -15.301 3.864 2.911 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -14.415 4.721 4.194 1.00 1.55 H new ATOM 130 N VAL A 9 -19.107 1.630 5.517 1.00 1.81 N ATOM 131 CA VAL A 9 -20.198 0.638 5.456 1.00 1.87 C ATOM 132 C VAL A 9 -21.036 0.883 4.192 1.00 1.92 C ATOM 133 O VAL A 9 -21.409 -0.066 3.494 1.00 1.94 O ATOM 134 CB VAL A 9 -21.058 0.670 6.738 1.00 1.93 C ATOM 135 CG1 VAL A 9 -22.369 -0.123 6.612 1.00 2.01 C ATOM 136 CG2 VAL A 9 -20.277 0.052 7.907 1.00 1.91 C ATOM 0 H VAL A 9 -19.253 2.370 6.203 1.00 1.81 H new ATOM 0 HA VAL A 9 -19.771 -0.363 5.399 1.00 1.87 H new ATOM 0 HB VAL A 9 -21.296 1.720 6.907 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -22.924 -0.059 7.548 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -22.970 0.294 5.804 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -22.143 -1.167 6.395 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -20.890 0.078 8.808 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -20.024 -0.981 7.670 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -19.362 0.620 8.074 1.00 1.91 H new ATOM 146 N ALA A 10 -21.252 2.152 3.831 1.00 1.93 N ATOM 147 CA ALA A 10 -21.840 2.507 2.540 1.00 1.97 C ATOM 148 C ALA A 10 -20.955 2.065 1.357 1.00 1.92 C ATOM 149 O ALA A 10 -21.466 1.439 0.420 1.00 1.96 O ATOM 150 CB ALA A 10 -22.104 4.018 2.519 1.00 1.99 C ATOM 0 H ALA A 10 -21.026 2.953 4.420 1.00 1.93 H new ATOM 0 HA ALA A 10 -22.783 1.973 2.420 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -22.543 4.297 1.561 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -22.792 4.278 3.323 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -21.165 4.553 2.658 1.00 1.99 H new ATOM 156 N LEU A 11 -19.628 2.303 1.420 1.00 1.84 N ATOM 157 CA LEU A 11 -18.715 1.705 0.439 1.00 1.80 C ATOM 158 C LEU A 11 -18.764 0.181 0.478 1.00 1.80 C ATOM 159 O LEU A 11 -18.813 -0.410 -0.588 1.00 1.82 O ATOM 160 CB LEU A 11 -17.262 2.178 0.587 1.00 1.71 C ATOM 161 CG LEU A 11 -16.320 1.540 -0.469 1.00 1.67 C ATOM 162 CD1 LEU A 11 -16.664 1.898 -1.915 1.00 1.71 C ATOM 163 CD2 LEU A 11 -14.889 1.996 -0.232 1.00 1.59 C ATOM 0 H LEU A 11 -19.179 2.890 2.123 1.00 1.84 H new ATOM 0 HA LEU A 11 -19.073 2.053 -0.530 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -17.225 3.263 0.494 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -16.903 1.931 1.586 1.00 1.71 H new ATOM 0 HG LEU A 11 -16.444 0.464 -0.344 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -15.958 1.412 -2.588 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -17.675 1.559 -2.143 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -16.605 2.978 -2.046 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -14.235 1.544 -0.977 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -14.835 3.082 -0.313 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -14.570 1.690 0.764 1.00 1.59 H new ATOM 175 N TYR A 12 -18.776 -0.474 1.642 1.00 1.80 N ATOM 176 CA TYR A 12 -18.846 -1.936 1.728 1.00 1.81 C ATOM 177 C TYR A 12 -20.035 -2.493 0.940 1.00 1.89 C ATOM 178 O TYR A 12 -19.850 -3.416 0.144 1.00 1.89 O ATOM 179 CB TYR A 12 -18.879 -2.407 3.189 1.00 1.82 C ATOM 180 CG TYR A 12 -19.277 -3.862 3.372 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.528 -4.886 2.762 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.441 -4.183 4.102 1.00 1.94 C ATOM 183 CE1 TYR A 12 -18.944 -6.228 2.869 1.00 1.89 C ATOM 184 CE2 TYR A 12 -20.853 -5.524 4.221 1.00 1.99 C ATOM 185 CZ TYR A 12 -20.109 -6.551 3.600 1.00 1.96 C ATOM 186 OH TYR A 12 -20.516 -7.846 3.696 1.00 2.02 O ATOM 0 H TYR A 12 -18.738 -0.008 2.549 1.00 1.80 H new ATOM 0 HA TYR A 12 -17.939 -2.331 1.271 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -17.894 -2.255 3.629 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.576 -1.780 3.744 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.632 -4.642 2.210 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -21.017 -3.399 4.570 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -18.372 -7.010 2.392 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -21.739 -5.768 4.788 1.00 1.99 H new ATOM 0 HH TYR A 12 -21.333 -7.893 4.234 1.00 2.02 H new ATOM 196 N LYS A 13 -21.223 -1.885 1.078 1.00 1.95 N ATOM 197 CA LYS A 13 -22.372 -2.235 0.233 1.00 2.03 C ATOM 198 C LYS A 13 -22.084 -1.977 -1.247 1.00 2.02 C ATOM 199 O LYS A 13 -22.158 -2.926 -2.034 1.00 2.05 O ATOM 200 CB LYS A 13 -23.633 -1.518 0.747 1.00 2.10 C ATOM 201 CG LYS A 13 -24.899 -1.980 0.006 1.00 2.18 C ATOM 202 CD LYS A 13 -26.180 -1.296 0.512 1.00 2.25 C ATOM 203 CE LYS A 13 -26.524 -1.693 1.954 1.00 2.27 C ATOM 204 NZ LYS A 13 -27.810 -1.090 2.395 1.00 2.34 N ATOM 0 H LYS A 13 -21.412 -1.153 1.763 1.00 1.95 H new ATOM 0 HA LYS A 13 -22.558 -3.307 0.304 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.748 -1.707 1.814 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -23.514 -0.441 0.625 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.783 -1.778 -1.059 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -25.003 -3.059 0.116 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -26.058 -0.214 0.455 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -27.011 -1.558 -0.142 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.586 -2.779 2.028 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.724 -1.373 2.621 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -28.011 -1.379 3.374 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.742 -0.053 2.347 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -28.577 -1.415 1.773 1.00 2.34 H new ATOM 218 N TYR A 14 -21.696 -0.758 -1.644 1.00 2.00 N ATOM 219 CA TYR A 14 -21.371 -0.508 -3.056 1.00 2.00 C ATOM 220 C TYR A 14 -20.277 -1.410 -3.658 1.00 1.95 C ATOM 221 O TYR A 14 -20.428 -1.878 -4.785 1.00 1.99 O ATOM 222 CB TYR A 14 -20.992 0.973 -3.195 1.00 1.98 C ATOM 223 CG TYR A 14 -20.910 1.458 -4.629 1.00 2.01 C ATOM 224 CD1 TYR A 14 -22.093 1.780 -5.323 1.00 2.10 C ATOM 225 CD2 TYR A 14 -19.661 1.580 -5.274 1.00 1.96 C ATOM 226 CE1 TYR A 14 -22.035 2.219 -6.658 1.00 2.14 C ATOM 227 CE2 TYR A 14 -19.600 2.011 -6.614 1.00 1.99 C ATOM 228 CZ TYR A 14 -20.789 2.331 -7.309 1.00 2.09 C ATOM 229 OH TYR A 14 -20.726 2.714 -8.615 1.00 2.13 O ATOM 0 H TYR A 14 -21.601 0.050 -1.029 1.00 2.00 H new ATOM 0 HA TYR A 14 -22.260 -0.761 -3.634 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -21.725 1.577 -2.660 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -20.029 1.138 -2.711 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -23.048 1.689 -4.828 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -18.752 1.343 -4.741 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -22.944 2.470 -7.184 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -18.645 2.097 -7.110 1.00 1.99 H new ATOM 0 HH TYR A 14 -19.790 2.740 -8.904 1.00 2.13 H new ATOM 239 N MET A 15 -19.198 -1.702 -2.928 1.00 1.88 N ATOM 240 CA MET A 15 -18.092 -2.519 -3.425 1.00 1.83 C ATOM 241 C MET A 15 -18.450 -4.012 -3.450 1.00 1.86 C ATOM 242 O MET A 15 -18.022 -4.720 -4.362 1.00 1.86 O ATOM 243 CB MET A 15 -16.771 -2.185 -2.722 1.00 1.74 C ATOM 244 CG MET A 15 -16.623 -2.715 -1.297 1.00 1.72 C ATOM 245 SD MET A 15 -15.221 -2.028 -0.366 1.00 1.62 S ATOM 246 CE MET A 15 -13.845 -2.243 -1.532 1.00 1.57 C ATOM 0 H MET A 15 -19.068 -1.376 -1.970 1.00 1.88 H new ATOM 0 HA MET A 15 -17.921 -2.258 -4.469 1.00 1.83 H new ATOM 0 HB2 MET A 15 -15.952 -2.580 -3.323 1.00 1.74 H new ATOM 0 HB3 MET A 15 -16.657 -1.101 -2.700 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.542 -2.505 -0.750 1.00 1.72 H new ATOM 0 HG3 MET A 15 -16.517 -3.799 -1.337 1.00 1.72 H new ATOM 0 HE1 MET A 15 -13.083 -1.487 -1.339 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.412 -3.235 -1.405 1.00 1.57 H new ATOM 0 HE3 MET A 15 -14.213 -2.136 -2.552 1.00 1.57 H new ATOM 256 N LYS A 16 -19.313 -4.496 -2.536 1.00 1.90 N ATOM 257 CA LYS A 16 -19.899 -5.842 -2.651 1.00 1.96 C ATOM 258 C LYS A 16 -20.795 -5.954 -3.895 1.00 2.03 C ATOM 259 O LYS A 16 -20.711 -6.942 -4.622 1.00 2.05 O ATOM 260 CB LYS A 16 -20.633 -6.187 -1.345 1.00 1.99 C ATOM 261 CG LYS A 16 -21.136 -7.637 -1.326 1.00 2.05 C ATOM 262 CD LYS A 16 -21.380 -8.110 0.113 1.00 2.07 C ATOM 263 CE LYS A 16 -21.931 -9.540 0.114 1.00 2.13 C ATOM 264 NZ LYS A 16 -21.853 -10.142 1.468 1.00 2.15 N ATOM 0 H LYS A 16 -19.618 -3.976 -1.713 1.00 1.90 H new ATOM 0 HA LYS A 16 -19.108 -6.579 -2.792 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -19.963 -6.026 -0.501 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.477 -5.510 -1.215 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -22.059 -7.714 -1.900 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -20.405 -8.287 -1.808 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.449 -8.071 0.679 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -22.083 -7.441 0.609 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -22.967 -9.534 -0.226 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.368 -10.151 -0.592 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.185 -11.127 1.430 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -20.868 -10.121 1.801 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -22.451 -9.600 2.124 1.00 2.15 H new ATOM 278 N GLU A 17 -21.540 -4.893 -4.213 1.00 2.07 N ATOM 279 CA GLU A 17 -22.266 -4.778 -5.497 1.00 2.13 C ATOM 280 C GLU A 17 -21.336 -4.544 -6.723 1.00 2.10 C ATOM 281 O GLU A 17 -21.807 -4.455 -7.859 1.00 2.16 O ATOM 282 CB GLU A 17 -23.327 -3.669 -5.347 1.00 2.18 C ATOM 283 CG GLU A 17 -24.488 -3.774 -6.346 1.00 2.27 C ATOM 284 CD GLU A 17 -25.602 -2.763 -6.008 1.00 2.33 C ATOM 285 OE1 GLU A 17 -25.561 -1.614 -6.512 1.00 2.34 O ATOM 286 OE2 GLU A 17 -26.538 -3.114 -5.249 1.00 2.37 O ATOM 0 H GLU A 17 -21.662 -4.089 -3.597 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.748 -5.732 -5.711 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -23.729 -3.700 -4.334 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -22.844 -2.700 -5.468 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -24.121 -3.592 -7.356 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -24.894 -4.786 -6.332 1.00 2.27 H new ATOM 293 N ARG A 18 -20.011 -4.467 -6.505 1.00 2.02 N ATOM 294 CA ARG A 18 -19.006 -4.372 -7.589 1.00 1.99 C ATOM 295 C ARG A 18 -18.021 -5.559 -7.584 1.00 1.95 C ATOM 296 O ARG A 18 -16.932 -5.471 -8.156 1.00 1.90 O ATOM 297 CB ARG A 18 -18.323 -2.979 -7.576 1.00 1.94 C ATOM 298 CG ARG A 18 -19.033 -1.941 -8.465 1.00 2.01 C ATOM 299 CD ARG A 18 -20.299 -1.336 -7.851 1.00 2.06 C ATOM 300 NE ARG A 18 -21.060 -0.562 -8.850 1.00 2.13 N ATOM 301 CZ ARG A 18 -22.036 -1.007 -9.626 1.00 2.22 C ATOM 302 NH1 ARG A 18 -22.464 -2.239 -9.593 1.00 2.24 N ATOM 303 NH2 ARG A 18 -22.604 -0.202 -10.476 1.00 2.28 N ATOM 0 H ARG A 18 -19.602 -4.469 -5.571 1.00 2.02 H new ATOM 0 HA ARG A 18 -19.521 -4.455 -8.546 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -18.291 -2.608 -6.552 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -17.291 -3.086 -7.909 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -18.334 -1.136 -8.690 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -19.294 -2.411 -9.413 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -20.927 -2.131 -7.448 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -20.028 -0.690 -7.016 1.00 2.06 H new ATOM 0 HE ARG A 18 -20.807 0.421 -8.954 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -22.043 -2.908 -8.948 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -23.220 -2.533 -10.212 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -22.297 0.768 -10.543 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -23.356 -0.541 -11.075 1.00 2.28 H new ATOM 317 N LYS A 19 -18.403 -6.685 -6.959 1.00 1.97 N ATOM 318 CA LYS A 19 -17.663 -7.968 -6.896 1.00 1.95 C ATOM 319 C LYS A 19 -16.318 -7.828 -6.172 1.00 1.86 C ATOM 320 O LYS A 19 -15.410 -8.647 -6.343 1.00 1.84 O ATOM 321 CB LYS A 19 -17.549 -8.613 -8.297 1.00 1.99 C ATOM 322 CG LYS A 19 -18.913 -8.811 -8.980 1.00 2.09 C ATOM 323 CD LYS A 19 -18.755 -9.475 -10.354 1.00 2.13 C ATOM 324 CE LYS A 19 -20.123 -9.625 -11.030 1.00 2.22 C ATOM 325 NZ LYS A 19 -20.005 -10.241 -12.377 1.00 2.27 N ATOM 0 H LYS A 19 -19.287 -6.733 -6.453 1.00 1.97 H new ATOM 0 HA LYS A 19 -18.242 -8.660 -6.285 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -16.920 -7.987 -8.929 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -17.050 -9.578 -8.207 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -19.553 -9.426 -8.348 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -19.409 -7.847 -9.094 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -18.095 -8.876 -10.982 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -18.287 -10.453 -10.242 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -20.773 -10.238 -10.405 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -20.595 -8.646 -11.117 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -20.950 -10.327 -12.804 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -19.405 -9.643 -12.981 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -19.577 -11.185 -12.291 1.00 2.27 H new ATOM 339 N THR A 20 -16.221 -6.793 -5.334 1.00 1.82 N ATOM 340 CA THR A 20 -14.987 -6.460 -4.621 1.00 1.73 C ATOM 341 C THR A 20 -15.278 -6.121 -3.148 1.00 1.72 C ATOM 342 O THR A 20 -14.958 -5.022 -2.704 1.00 1.68 O ATOM 343 CB THR A 20 -14.206 -5.337 -5.350 1.00 1.69 C ATOM 344 OG1 THR A 20 -14.136 -5.576 -6.742 1.00 1.72 O ATOM 345 CG2 THR A 20 -12.747 -5.224 -4.894 1.00 1.61 C ATOM 0 H THR A 20 -16.997 -6.162 -5.131 1.00 1.82 H new ATOM 0 HA THR A 20 -14.341 -7.338 -4.620 1.00 1.73 H new ATOM 0 HB THR A 20 -14.758 -4.428 -5.110 1.00 1.69 H new ATOM 0 HG1 THR A 20 -15.023 -5.454 -7.140 1.00 1.72 H new ATOM 0 HG21 THR A 20 -12.256 -4.420 -5.442 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.715 -5.008 -3.826 1.00 1.61 H new ATOM 0 HG23 THR A 20 -12.231 -6.164 -5.089 1.00 1.61 H new ATOM 353 N PRO A 21 -15.942 -7.003 -2.369 1.00 1.76 N ATOM 354 CA PRO A 21 -16.276 -6.736 -0.965 1.00 1.76 C ATOM 355 C PRO A 21 -15.031 -6.645 -0.064 1.00 1.69 C ATOM 356 O PRO A 21 -13.986 -7.221 -0.366 1.00 1.66 O ATOM 357 CB PRO A 21 -17.173 -7.906 -0.544 1.00 1.84 C ATOM 358 CG PRO A 21 -16.691 -9.058 -1.421 1.00 1.85 C ATOM 359 CD PRO A 21 -16.362 -8.352 -2.734 1.00 1.82 C ATOM 0 HA PRO A 21 -16.768 -5.769 -0.859 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -17.063 -8.135 0.516 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -18.227 -7.685 -0.714 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -15.818 -9.555 -0.997 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.460 -9.820 -1.550 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.571 -8.875 -3.271 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -17.231 -8.326 -3.392 1.00 1.82 H new ATOM 367 N ILE A 22 -15.169 -6.017 1.109 1.00 1.68 N ATOM 368 CA ILE A 22 -14.124 -6.070 2.165 1.00 1.64 C ATOM 369 C ILE A 22 -13.859 -7.530 2.617 1.00 1.67 C ATOM 370 O ILE A 22 -12.770 -7.874 3.066 1.00 1.64 O ATOM 371 CB ILE A 22 -14.510 -5.106 3.320 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.520 -3.657 2.789 1.00 1.61 C ATOM 373 CG2 ILE A 22 -13.561 -5.230 4.529 1.00 1.61 C ATOM 374 CD1 ILE A 22 -14.963 -2.592 3.799 1.00 1.62 C ATOM 0 H ILE A 22 -15.988 -5.464 1.361 1.00 1.68 H new ATOM 0 HA ILE A 22 -13.170 -5.722 1.768 1.00 1.64 H new ATOM 0 HB ILE A 22 -15.504 -5.382 3.672 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.518 -3.409 2.440 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -15.180 -3.609 1.923 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -13.873 -4.536 5.309 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -13.595 -6.249 4.915 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -12.543 -4.993 4.219 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -14.935 -1.610 3.328 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -15.979 -2.806 4.132 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -14.291 -2.602 4.657 1.00 1.62 H new ATOM 386 N GLU A 23 -14.848 -8.400 2.388 1.00 1.74 N ATOM 387 CA GLU A 23 -14.686 -9.863 2.520 1.00 1.78 C ATOM 388 C GLU A 23 -13.521 -10.479 1.692 1.00 1.75 C ATOM 389 O GLU A 23 -13.133 -11.618 1.969 1.00 1.78 O ATOM 390 CB GLU A 23 -16.007 -10.585 2.206 1.00 1.87 C ATOM 391 CG GLU A 23 -17.144 -10.186 3.155 1.00 1.91 C ATOM 392 CD GLU A 23 -18.399 -11.037 2.895 1.00 2.00 C ATOM 393 OE1 GLU A 23 -19.191 -10.688 1.988 1.00 2.02 O ATOM 394 OE2 GLU A 23 -18.605 -12.059 3.595 1.00 2.06 O ATOM 0 H GLU A 23 -15.786 -8.116 2.106 1.00 1.74 H new ATOM 0 HA GLU A 23 -14.408 -10.020 3.562 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.302 -10.363 1.180 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -15.850 -11.662 2.267 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -16.822 -10.312 4.189 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -17.381 -9.131 3.022 1.00 1.91 H new ATOM 401 N ARG A 24 -12.910 -9.748 0.735 1.00 1.69 N ATOM 402 CA ARG A 24 -11.667 -10.136 0.019 1.00 1.65 C ATOM 403 C ARG A 24 -10.450 -9.238 0.332 1.00 1.57 C ATOM 404 O ARG A 24 -9.420 -9.334 -0.340 1.00 1.53 O ATOM 405 CB ARG A 24 -11.943 -10.324 -1.492 1.00 1.67 C ATOM 406 CG ARG A 24 -11.858 -9.052 -2.362 1.00 1.62 C ATOM 407 CD ARG A 24 -12.431 -9.266 -3.773 1.00 1.67 C ATOM 408 NE ARG A 24 -11.648 -10.235 -4.564 1.00 1.67 N ATOM 409 CZ ARG A 24 -11.930 -10.680 -5.779 1.00 1.72 C ATOM 410 NH1 ARG A 24 -12.984 -10.305 -6.450 1.00 1.77 N ATOM 411 NH2 ARG A 24 -11.132 -11.530 -6.359 1.00 1.72 N ATOM 0 H ARG A 24 -13.275 -8.846 0.428 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.362 -11.106 0.412 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -11.234 -11.054 -1.882 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -12.938 -10.753 -1.608 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -12.400 -8.243 -1.872 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -10.817 -8.737 -2.440 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -13.460 -9.615 -3.694 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.458 -8.311 -4.299 1.00 1.67 H new ATOM 0 HE ARG A 24 -10.801 -10.600 -4.129 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.638 -9.638 -6.041 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -13.154 -10.679 -7.384 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -10.292 -11.851 -5.878 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -11.347 -11.874 -7.295 1.00 1.72 H new ATOM 425 N ILE A 25 -10.548 -8.396 1.363 1.00 1.55 N ATOM 426 CA ILE A 25 -9.546 -7.413 1.812 1.00 1.48 C ATOM 427 C ILE A 25 -9.308 -7.612 3.331 1.00 1.49 C ATOM 428 O ILE A 25 -9.829 -6.855 4.157 1.00 1.50 O ATOM 429 CB ILE A 25 -9.973 -5.964 1.451 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.505 -5.818 0.003 1.00 1.46 C ATOM 431 CG2 ILE A 25 -8.756 -5.041 1.653 1.00 1.37 C ATOM 432 CD1 ILE A 25 -11.022 -4.414 -0.334 1.00 1.45 C ATOM 0 H ILE A 25 -11.383 -8.377 1.949 1.00 1.55 H new ATOM 0 HA ILE A 25 -8.603 -7.575 1.291 1.00 1.48 H new ATOM 0 HB ILE A 25 -10.800 -5.689 2.106 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.708 -6.077 -0.694 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -11.310 -6.537 -0.152 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -9.032 -4.016 1.405 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.432 -5.088 2.693 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -7.942 -5.365 1.004 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -11.376 -4.394 -1.365 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -11.842 -4.158 0.337 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -10.215 -3.691 -0.214 1.00 1.45 H new ATOM 444 N PRO A 26 -8.733 -8.763 3.743 1.00 1.53 N ATOM 445 CA PRO A 26 -8.625 -9.132 5.177 1.00 1.57 C ATOM 446 C PRO A 26 -7.742 -8.311 6.121 1.00 1.52 C ATOM 447 O PRO A 26 -8.088 -8.203 7.300 1.00 1.50 O ATOM 448 CB PRO A 26 -8.123 -10.576 5.130 1.00 1.62 C ATOM 449 CG PRO A 26 -7.411 -10.684 3.831 1.00 1.59 C ATOM 450 CD PRO A 26 -8.185 -9.822 2.873 1.00 1.55 C ATOM 0 HA PRO A 26 -9.602 -8.945 5.623 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -7.457 -10.792 5.966 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -8.949 -11.285 5.189 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -6.380 -10.343 3.920 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -7.376 -11.718 3.488 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -7.544 -9.411 2.093 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -8.975 -10.383 2.374 1.00 1.55 H new ATOM 458 N TYR A 27 -6.632 -7.731 5.681 1.00 1.52 N ATOM 459 CA TYR A 27 -5.776 -7.038 6.650 1.00 1.49 C ATOM 460 C TYR A 27 -5.129 -5.739 6.160 1.00 1.38 C ATOM 461 O TYR A 27 -5.456 -5.182 5.112 1.00 1.34 O ATOM 462 CB TYR A 27 -4.630 -7.979 7.072 1.00 1.61 C ATOM 463 CG TYR A 27 -5.040 -9.297 7.705 1.00 1.65 C ATOM 464 CD1 TYR A 27 -5.452 -9.357 9.030 1.00 1.91 C ATOM 465 CD2 TYR A 27 -4.984 -10.484 6.979 1.00 1.76 C ATOM 466 CE1 TYR A 27 -5.800 -10.563 9.614 1.00 2.21 C ATOM 467 CE2 TYR A 27 -5.335 -11.691 7.556 1.00 2.09 C ATOM 468 CZ TYR A 27 -5.742 -11.724 8.872 1.00 2.29 C ATOM 469 OH TYR A 27 -6.087 -12.924 9.453 1.00 2.75 O ATOM 0 H TYR A 27 -6.310 -7.721 4.713 1.00 1.52 H new ATOM 0 HA TYR A 27 -6.447 -6.767 7.465 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -4.024 -8.196 6.192 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -3.991 -7.446 7.776 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -5.502 -8.449 9.613 1.00 1.91 H new ATOM 0 HD2 TYR A 27 -4.661 -10.462 5.949 1.00 1.76 H new ATOM 0 HE1 TYR A 27 -6.116 -10.594 10.646 1.00 2.21 H new ATOM 0 HE2 TYR A 27 -5.290 -12.602 6.978 1.00 2.09 H new ATOM 0 HH TYR A 27 -5.993 -13.645 8.796 1.00 2.75 H new ATOM 479 N LEU A 28 -4.212 -5.287 7.020 1.00 1.39 N ATOM 480 CA LEU A 28 -3.332 -4.137 6.824 1.00 1.35 C ATOM 481 C LEU A 28 -1.928 -4.706 6.986 1.00 1.35 C ATOM 482 O LEU A 28 -1.802 -5.817 7.508 1.00 1.38 O ATOM 483 CB LEU A 28 -3.585 -3.039 7.863 1.00 1.42 C ATOM 484 CG LEU A 28 -3.672 -1.603 7.339 1.00 1.37 C ATOM 485 CD1 LEU A 28 -3.844 -0.640 8.503 1.00 1.58 C ATOM 486 CD2 LEU A 28 -2.435 -1.233 6.535 1.00 1.77 C ATOM 0 H LEU A 28 -4.057 -5.740 7.921 1.00 1.39 H new ATOM 0 HA LEU A 28 -3.495 -3.668 5.854 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -4.516 -3.269 8.381 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -2.788 -3.083 8.605 1.00 1.42 H new ATOM 0 HG LEU A 28 -4.536 -1.533 6.678 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -3.905 0.380 8.125 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -4.759 -0.882 9.044 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -2.991 -0.727 9.176 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -2.527 -0.208 6.177 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -1.551 -1.318 7.167 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -2.339 -1.907 5.684 1.00 1.77 H new ATOM 498 N GLY A 29 -0.891 -4.002 6.545 1.00 1.36 N ATOM 499 CA GLY A 29 0.454 -4.556 6.634 1.00 1.41 C ATOM 500 C GLY A 29 0.786 -5.183 7.989 1.00 1.47 C ATOM 501 O GLY A 29 1.139 -6.350 8.050 1.00 1.53 O ATOM 0 H GLY A 29 -0.952 -3.071 6.133 1.00 1.36 H new ATOM 0 HA2 GLY A 29 0.576 -5.311 5.857 1.00 1.41 H new ATOM 0 HA3 GLY A 29 1.175 -3.765 6.426 1.00 1.41 H new ATOM 505 N PHE A 30 0.633 -4.452 9.080 1.00 1.52 N ATOM 506 CA PHE A 30 0.938 -5.023 10.393 1.00 1.61 C ATOM 507 C PHE A 30 -0.319 -5.463 11.181 1.00 1.61 C ATOM 508 O PHE A 30 -0.319 -6.512 11.827 1.00 1.66 O ATOM 509 CB PHE A 30 1.800 -4.049 11.216 1.00 1.76 C ATOM 510 CG PHE A 30 1.020 -3.041 12.009 1.00 1.83 C ATOM 511 CD1 PHE A 30 0.334 -2.023 11.365 1.00 2.34 C ATOM 512 CD2 PHE A 30 0.982 -3.101 13.393 1.00 2.24 C ATOM 513 CE1 PHE A 30 -0.374 -1.085 12.086 1.00 2.75 C ATOM 514 CE2 PHE A 30 0.275 -2.165 14.118 1.00 2.87 C ATOM 515 CZ PHE A 30 -0.442 -1.203 13.485 1.00 2.93 C ATOM 0 H PHE A 30 0.308 -3.485 9.092 1.00 1.52 H new ATOM 0 HA PHE A 30 1.507 -5.935 10.211 1.00 1.61 H new ATOM 0 HB2 PHE A 30 2.424 -4.625 11.899 1.00 1.76 H new ATOM 0 HB3 PHE A 30 2.472 -3.519 10.541 1.00 1.76 H new ATOM 0 HD1 PHE A 30 0.354 -1.964 10.287 1.00 2.34 H new ATOM 0 HD2 PHE A 30 1.511 -3.889 13.909 1.00 2.24 H new ATOM 0 HE1 PHE A 30 -0.871 -0.269 11.582 1.00 2.75 H new ATOM 0 HE2 PHE A 30 0.292 -2.198 15.197 1.00 2.87 H new ATOM 0 HZ PHE A 30 -1.064 -0.529 14.055 1.00 2.93 H new ATOM 525 N LYS A 31 -1.386 -4.664 11.102 1.00 1.61 N ATOM 526 CA LYS A 31 -2.625 -4.903 11.857 1.00 1.66 C ATOM 527 C LYS A 31 -3.844 -5.087 10.943 1.00 1.60 C ATOM 528 O LYS A 31 -3.698 -5.336 9.754 1.00 1.53 O ATOM 529 CB LYS A 31 -2.867 -3.726 12.803 1.00 1.73 C ATOM 530 CG LYS A 31 -3.604 -4.087 14.086 1.00 1.80 C ATOM 531 CD LYS A 31 -4.621 -3.017 14.468 1.00 2.09 C ATOM 532 CE LYS A 31 -3.984 -1.642 14.621 1.00 2.48 C ATOM 533 NZ LYS A 31 -3.953 -0.894 13.332 1.00 3.02 N ATOM 0 H LYS A 31 -1.418 -3.832 10.513 1.00 1.61 H new ATOM 0 HA LYS A 31 -2.500 -5.830 12.417 1.00 1.66 H new ATOM 0 HB2 LYS A 31 -1.906 -3.282 13.064 1.00 1.73 H new ATOM 0 HB3 LYS A 31 -3.437 -2.963 12.274 1.00 1.73 H new ATOM 0 HG2 LYS A 31 -4.111 -5.043 13.958 1.00 1.80 H new ATOM 0 HG3 LYS A 31 -2.886 -4.213 14.896 1.00 1.80 H new ATOM 0 HD2 LYS A 31 -5.400 -2.971 13.707 1.00 2.09 H new ATOM 0 HD3 LYS A 31 -5.105 -3.297 15.404 1.00 2.09 H new ATOM 0 HE2 LYS A 31 -4.539 -1.066 15.361 1.00 2.48 H new ATOM 0 HE3 LYS A 31 -2.968 -1.753 15.000 1.00 2.48 H new ATOM 0 HZ1 LYS A 31 -4.276 0.082 13.489 1.00 3.02 H new ATOM 0 HZ2 LYS A 31 -2.981 -0.881 12.961 1.00 3.02 H new ATOM 0 HZ3 LYS A 31 -4.580 -1.360 12.645 1.00 3.02 H new ATOM 547 N GLN A 32 -5.046 -5.028 11.545 1.00 1.67 N ATOM 548 CA GLN A 32 -6.323 -5.156 10.825 1.00 1.66 C ATOM 549 C GLN A 32 -6.474 -4.027 9.790 1.00 1.58 C ATOM 550 O GLN A 32 -5.717 -3.062 9.827 1.00 1.55 O ATOM 551 CB GLN A 32 -7.480 -5.129 11.829 1.00 1.78 C ATOM 552 CG GLN A 32 -7.429 -6.272 12.841 1.00 1.93 C ATOM 553 CD GLN A 32 -8.568 -6.234 13.847 1.00 2.33 C ATOM 554 OE1 GLN A 32 -9.662 -5.752 13.550 1.00 2.95 O ATOM 555 NE2 GLN A 32 -8.318 -6.753 15.045 1.00 2.75 N ATOM 0 H GLN A 32 -5.157 -4.889 12.549 1.00 1.67 H new ATOM 0 HA GLN A 32 -6.339 -6.106 10.290 1.00 1.66 H new ATOM 0 HB2 GLN A 32 -7.466 -4.179 12.363 1.00 1.78 H new ATOM 0 HB3 GLN A 32 -8.424 -5.176 11.286 1.00 1.78 H new ATOM 0 HG2 GLN A 32 -7.456 -7.222 12.308 1.00 1.93 H new ATOM 0 HG3 GLN A 32 -6.480 -6.233 13.375 1.00 1.93 H new ATOM 0 HE21 GLN A 32 -7.398 -7.142 15.250 1.00 2.75 H new ATOM 0 HE22 GLN A 32 -9.046 -6.762 15.759 1.00 2.75 H new ATOM 564 N ILE A 33 -7.490 -4.112 8.914 1.00 1.56 N ATOM 565 CA ILE A 33 -7.657 -3.130 7.821 1.00 1.51 C ATOM 566 C ILE A 33 -7.682 -1.676 8.294 1.00 1.50 C ATOM 567 O ILE A 33 -6.912 -0.867 7.778 1.00 1.47 O ATOM 568 CB ILE A 33 -8.969 -3.365 7.038 1.00 1.53 C ATOM 569 CG1 ILE A 33 -9.122 -4.828 6.628 1.00 1.90 C ATOM 570 CG2 ILE A 33 -9.040 -2.461 5.810 1.00 2.04 C ATOM 571 CD1 ILE A 33 -10.152 -5.575 7.449 1.00 2.36 C ATOM 0 H ILE A 33 -8.203 -4.841 8.938 1.00 1.56 H new ATOM 0 HA ILE A 33 -6.782 -3.287 7.190 1.00 1.51 H new ATOM 0 HB ILE A 33 -9.794 -3.114 7.704 1.00 1.53 H new ATOM 0 HG12 ILE A 33 -9.402 -4.876 5.576 1.00 1.90 H new ATOM 0 HG13 ILE A 33 -8.158 -5.328 6.725 1.00 1.90 H new ATOM 0 HG21 ILE A 33 -9.972 -2.645 5.276 1.00 2.04 H new ATOM 0 HG22 ILE A 33 -9.001 -1.418 6.123 1.00 2.04 H new ATOM 0 HG23 ILE A 33 -8.197 -2.674 5.152 1.00 2.04 H new ATOM 0 HD11 ILE A 33 -10.211 -6.608 7.106 1.00 2.36 H new ATOM 0 HD12 ILE A 33 -9.862 -5.557 8.500 1.00 2.36 H new ATOM 0 HD13 ILE A 33 -11.125 -5.098 7.333 1.00 2.36 H new ATOM 583 N ASN A 34 -8.538 -1.365 9.275 1.00 1.56 N ATOM 584 CA ASN A 34 -8.667 -0.003 9.829 1.00 1.58 C ATOM 585 C ASN A 34 -8.499 1.079 8.752 1.00 1.57 C ATOM 586 O ASN A 34 -7.437 1.692 8.612 1.00 1.91 O ATOM 587 CB ASN A 34 -7.673 0.181 10.974 1.00 1.60 C ATOM 588 CG ASN A 34 -8.035 -0.683 12.168 1.00 1.73 C ATOM 589 OD1 ASN A 34 -7.167 -1.234 12.845 1.00 2.14 O ATOM 590 ND2 ASN A 34 -9.335 -0.803 12.430 1.00 2.10 N ATOM 0 H ASN A 34 -9.161 -2.046 9.709 1.00 1.56 H new ATOM 0 HA ASN A 34 -9.678 0.114 10.219 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -6.670 -0.072 10.631 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -7.652 1.229 11.274 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -9.646 -1.370 13.219 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -10.020 -0.328 11.842 1.00 2.10 H new ATOM 597 N LEU A 35 -9.574 1.304 8.009 1.00 1.38 N ATOM 598 CA LEU A 35 -9.587 2.258 6.903 1.00 1.34 C ATOM 599 C LEU A 35 -9.397 3.713 7.345 1.00 1.32 C ATOM 600 O LEU A 35 -8.503 4.395 6.847 1.00 1.28 O ATOM 601 CB LEU A 35 -10.905 2.110 6.143 1.00 1.40 C ATOM 602 CG LEU A 35 -10.927 2.672 4.716 1.00 1.43 C ATOM 603 CD1 LEU A 35 -11.146 4.173 4.735 1.00 1.47 C ATOM 604 CD2 LEU A 35 -9.643 2.335 3.968 1.00 1.52 C ATOM 0 H LEU A 35 -10.465 0.830 8.155 1.00 1.38 H new ATOM 0 HA LEU A 35 -8.736 2.025 6.263 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -11.159 1.051 6.099 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -11.690 2.602 6.718 1.00 1.40 H new ATOM 0 HG LEU A 35 -11.758 2.203 4.189 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -11.158 4.552 3.713 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -12.098 4.396 5.216 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -10.339 4.651 5.290 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -9.690 2.747 2.960 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -8.791 2.764 4.496 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -9.528 1.253 3.912 1.00 1.52 H new ATOM 616 N TRP A 36 -10.246 4.183 8.259 1.00 1.37 N ATOM 617 CA TRP A 36 -10.186 5.568 8.737 1.00 1.37 C ATOM 618 C TRP A 36 -8.782 5.957 9.240 1.00 1.32 C ATOM 619 O TRP A 36 -8.378 7.113 9.121 1.00 1.31 O ATOM 620 CB TRP A 36 -11.225 5.807 9.844 1.00 1.45 C ATOM 621 CG TRP A 36 -11.266 4.747 10.906 1.00 1.50 C ATOM 622 CD1 TRP A 36 -11.846 3.514 10.812 1.00 1.55 C ATOM 623 CD2 TRP A 36 -10.732 4.837 12.235 1.00 1.53 C ATOM 624 NE1 TRP A 36 -11.689 2.826 11.990 1.00 1.61 N ATOM 625 CE2 TRP A 36 -11.010 3.618 12.880 1.00 1.60 C ATOM 626 CE3 TRP A 36 -10.037 5.827 12.936 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -10.621 3.365 14.194 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -9.654 5.575 14.241 1.00 1.61 C ATOM 629 CH2 TRP A 36 -9.945 4.351 14.857 1.00 1.66 C ATOM 0 H TRP A 36 -10.986 3.625 8.685 1.00 1.37 H new ATOM 0 HA TRP A 36 -10.416 6.204 7.882 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -11.018 6.767 10.316 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -12.212 5.883 9.387 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -12.354 3.135 9.938 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -12.023 1.880 12.173 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -9.803 6.771 12.467 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -10.846 2.423 14.672 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -9.122 6.335 14.794 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -9.629 4.183 15.876 1.00 1.66 H new ATOM 640 N THR A 37 -8.051 4.989 9.797 1.00 1.32 N ATOM 641 CA THR A 37 -6.694 5.219 10.330 1.00 1.29 C ATOM 642 C THR A 37 -5.648 5.370 9.222 1.00 1.23 C ATOM 643 O THR A 37 -4.907 6.352 9.238 1.00 1.21 O ATOM 644 CB THR A 37 -6.267 4.100 11.294 1.00 1.34 C ATOM 645 OG1 THR A 37 -7.161 4.034 12.383 1.00 1.41 O ATOM 646 CG2 THR A 37 -4.882 4.324 11.905 1.00 1.35 C ATOM 0 H THR A 37 -8.375 4.027 9.894 1.00 1.32 H new ATOM 0 HA THR A 37 -6.744 6.160 10.878 1.00 1.29 H new ATOM 0 HB THR A 37 -6.260 3.189 10.695 1.00 1.34 H new ATOM 0 HG1 THR A 37 -7.835 4.740 12.296 1.00 1.41 H new ATOM 0 HG21 THR A 37 -4.642 3.498 12.575 1.00 1.35 H new ATOM 0 HG22 THR A 37 -4.138 4.374 11.110 1.00 1.35 H new ATOM 0 HG23 THR A 37 -4.878 5.259 12.465 1.00 1.35 H new ATOM 654 N MET A 38 -5.583 4.469 8.230 1.00 1.20 N ATOM 655 CA MET A 38 -4.667 4.667 7.087 1.00 1.15 C ATOM 656 C MET A 38 -5.021 5.922 6.268 1.00 1.13 C ATOM 657 O MET A 38 -4.130 6.577 5.729 1.00 1.11 O ATOM 658 CB MET A 38 -4.546 3.424 6.187 1.00 1.14 C ATOM 659 CG MET A 38 -5.856 2.949 5.554 1.00 1.17 C ATOM 660 SD MET A 38 -5.648 2.008 4.018 1.00 1.17 S ATOM 661 CE MET A 38 -6.503 0.460 4.419 1.00 1.25 C ATOM 0 H MET A 38 -6.138 3.614 8.191 1.00 1.20 H new ATOM 0 HA MET A 38 -3.682 4.828 7.525 1.00 1.15 H new ATOM 0 HB2 MET A 38 -3.833 3.639 5.391 1.00 1.14 H new ATOM 0 HB3 MET A 38 -4.129 2.608 6.776 1.00 1.14 H new ATOM 0 HG2 MET A 38 -6.390 2.331 6.275 1.00 1.17 H new ATOM 0 HG3 MET A 38 -6.483 3.817 5.352 1.00 1.17 H new ATOM 0 HE1 MET A 38 -6.658 -0.117 3.507 1.00 1.25 H new ATOM 0 HE2 MET A 38 -5.898 -0.119 5.117 1.00 1.25 H new ATOM 0 HE3 MET A 38 -7.467 0.684 4.874 1.00 1.25 H new ATOM 671 N PHE A 39 -6.307 6.291 6.236 1.00 1.17 N ATOM 672 CA PHE A 39 -6.752 7.550 5.646 1.00 1.19 C ATOM 673 C PHE A 39 -6.205 8.767 6.391 1.00 1.20 C ATOM 674 O PHE A 39 -5.458 9.542 5.798 1.00 1.20 O ATOM 675 CB PHE A 39 -8.277 7.600 5.551 1.00 1.25 C ATOM 676 CG PHE A 39 -8.776 8.916 4.975 1.00 1.30 C ATOM 677 CD1 PHE A 39 -8.482 9.251 3.639 1.00 1.30 C ATOM 678 CD2 PHE A 39 -9.489 9.821 5.783 1.00 1.36 C ATOM 679 CE1 PHE A 39 -8.911 10.478 3.107 1.00 1.37 C ATOM 680 CE2 PHE A 39 -9.905 11.057 5.254 1.00 1.43 C ATOM 681 CZ PHE A 39 -9.614 11.386 3.919 1.00 1.44 C ATOM 0 H PHE A 39 -7.063 5.724 6.619 1.00 1.17 H new ATOM 0 HA PHE A 39 -6.344 7.591 4.636 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -8.627 6.777 4.928 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -8.706 7.454 6.542 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -7.925 8.562 3.022 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -9.717 9.567 6.808 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -8.701 10.724 2.076 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -10.449 11.754 5.875 1.00 1.43 H new ATOM 0 HZ PHE A 39 -9.930 12.337 3.516 1.00 1.44 H new ATOM 691 N GLN A 40 -6.504 8.941 7.688 1.00 1.24 N ATOM 692 CA GLN A 40 -5.980 10.113 8.414 1.00 1.27 C ATOM 693 C GLN A 40 -4.439 10.126 8.495 1.00 1.25 C ATOM 694 O GLN A 40 -3.839 11.202 8.494 1.00 1.28 O ATOM 695 CB GLN A 40 -6.654 10.245 9.793 1.00 1.33 C ATOM 696 CG GLN A 40 -6.171 9.201 10.808 1.00 1.33 C ATOM 697 CD GLN A 40 -7.113 9.070 11.998 1.00 1.39 C ATOM 698 OE1 GLN A 40 -6.886 9.595 13.079 1.00 1.44 O ATOM 699 NE2 GLN A 40 -8.200 8.347 11.838 1.00 1.40 N ATOM 0 H GLN A 40 -7.085 8.311 8.241 1.00 1.24 H new ATOM 0 HA GLN A 40 -6.241 11.000 7.837 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -6.462 11.242 10.189 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -7.733 10.152 9.672 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -6.077 8.234 10.314 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -5.178 9.475 11.163 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -8.392 7.908 10.938 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -8.851 8.226 12.614 1.00 1.40 H new ATOM 708 N ALA A 41 -3.788 8.956 8.473 1.00 1.21 N ATOM 709 CA ALA A 41 -2.340 8.845 8.318 1.00 1.20 C ATOM 710 C ALA A 41 -1.870 9.390 6.959 1.00 1.18 C ATOM 711 O ALA A 41 -1.031 10.287 6.922 1.00 1.21 O ATOM 712 CB ALA A 41 -1.921 7.386 8.518 1.00 1.18 C ATOM 0 H ALA A 41 -4.259 8.056 8.563 1.00 1.21 H new ATOM 0 HA ALA A 41 -1.856 9.459 9.078 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -0.841 7.299 8.403 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -2.207 7.059 9.518 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -2.417 6.760 7.776 1.00 1.18 H new ATOM 718 N ALA A 42 -2.449 8.936 5.844 1.00 1.14 N ATOM 719 CA ALA A 42 -2.149 9.470 4.516 1.00 1.14 C ATOM 720 C ALA A 42 -2.398 10.983 4.418 1.00 1.20 C ATOM 721 O ALA A 42 -1.595 11.692 3.825 1.00 1.23 O ATOM 722 CB ALA A 42 -2.955 8.700 3.461 1.00 1.11 C ATOM 0 H ALA A 42 -3.140 8.186 5.839 1.00 1.14 H new ATOM 0 HA ALA A 42 -1.084 9.329 4.329 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -2.732 9.098 2.471 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -2.686 7.644 3.497 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -4.020 8.811 3.665 1.00 1.11 H new ATOM 728 N GLN A 43 -3.458 11.493 5.056 1.00 1.23 N ATOM 729 CA GLN A 43 -3.770 12.927 5.047 1.00 1.31 C ATOM 730 C GLN A 43 -2.752 13.757 5.858 1.00 1.35 C ATOM 731 O GLN A 43 -2.539 14.933 5.552 1.00 1.42 O ATOM 732 CB GLN A 43 -5.208 13.176 5.533 1.00 1.35 C ATOM 733 CG GLN A 43 -6.291 12.602 4.595 1.00 1.35 C ATOM 734 CD GLN A 43 -6.202 13.111 3.154 1.00 1.38 C ATOM 735 OE1 GLN A 43 -6.085 14.299 2.883 1.00 1.45 O ATOM 736 NE2 GLN A 43 -6.231 12.234 2.171 1.00 1.35 N ATOM 0 H GLN A 43 -4.119 10.928 5.589 1.00 1.23 H new ATOM 0 HA GLN A 43 -3.693 13.265 4.014 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -5.328 12.736 6.523 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -5.365 14.249 5.640 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -6.214 11.515 4.591 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -7.273 12.850 4.997 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -6.328 11.240 2.377 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -6.157 12.549 1.204 1.00 1.35 H new ATOM 745 N LYS A 44 -2.070 13.131 6.828 1.00 1.33 N ATOM 746 CA LYS A 44 -0.947 13.763 7.540 1.00 1.39 C ATOM 747 C LYS A 44 0.329 13.709 6.701 1.00 1.39 C ATOM 748 O LYS A 44 0.991 14.730 6.515 1.00 1.45 O ATOM 749 CB LYS A 44 -0.778 13.072 8.904 1.00 1.39 C ATOM 750 CG LYS A 44 0.198 13.822 9.821 1.00 1.47 C ATOM 751 CD LYS A 44 0.465 13.076 11.136 1.00 1.49 C ATOM 752 CE LYS A 44 -0.821 12.771 11.915 1.00 1.49 C ATOM 753 NZ LYS A 44 -0.514 12.203 13.251 1.00 1.53 N ATOM 0 H LYS A 44 -2.277 12.182 7.140 1.00 1.33 H new ATOM 0 HA LYS A 44 -1.157 14.819 7.709 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -1.749 12.998 9.394 1.00 1.39 H new ATOM 0 HB3 LYS A 44 -0.420 12.054 8.751 1.00 1.39 H new ATOM 0 HG2 LYS A 44 1.141 13.973 9.296 1.00 1.47 H new ATOM 0 HG3 LYS A 44 -0.205 14.810 10.044 1.00 1.47 H new ATOM 0 HD2 LYS A 44 0.984 12.142 10.920 1.00 1.49 H new ATOM 0 HD3 LYS A 44 1.130 13.674 11.760 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -1.405 13.684 12.030 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -1.434 12.069 11.350 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -1.401 12.006 13.757 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 0.023 11.320 13.138 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 0.051 12.885 13.796 1.00 1.53 H new ATOM 767 N LEU A 45 0.611 12.537 6.128 1.00 1.32 N ATOM 768 CA LEU A 45 1.719 12.359 5.179 1.00 1.32 C ATOM 769 C LEU A 45 1.470 12.990 3.769 1.00 1.34 C ATOM 770 O LEU A 45 2.242 12.725 2.845 1.00 1.34 O ATOM 771 CB LEU A 45 2.139 10.858 5.156 1.00 1.27 C ATOM 772 CG LEU A 45 2.888 10.251 6.383 1.00 1.30 C ATOM 773 CD1 LEU A 45 4.014 11.159 6.881 1.00 1.39 C ATOM 774 CD2 LEU A 45 1.997 9.919 7.578 1.00 1.29 C ATOM 0 H LEU A 45 0.081 11.684 6.306 1.00 1.32 H new ATOM 0 HA LEU A 45 2.570 12.939 5.536 1.00 1.32 H new ATOM 0 HB2 LEU A 45 1.236 10.268 5.000 1.00 1.27 H new ATOM 0 HB3 LEU A 45 2.771 10.709 4.281 1.00 1.27 H new ATOM 0 HG LEU A 45 3.288 9.316 5.990 1.00 1.30 H new ATOM 0 HD11 LEU A 45 4.505 10.694 7.736 1.00 1.39 H new ATOM 0 HD12 LEU A 45 4.740 11.309 6.082 1.00 1.39 H new ATOM 0 HD13 LEU A 45 3.600 12.122 7.180 1.00 1.39 H new ATOM 0 HD21 LEU A 45 2.605 9.503 8.381 1.00 1.29 H new ATOM 0 HD22 LEU A 45 1.505 10.826 7.928 1.00 1.29 H new ATOM 0 HD23 LEU A 45 1.244 9.190 7.279 1.00 1.29 H new ATOM 786 N GLY A 46 0.441 13.843 3.601 1.00 1.36 N ATOM 787 CA GLY A 46 0.312 14.685 2.380 1.00 1.42 C ATOM 788 C GLY A 46 -0.723 14.252 1.322 1.00 1.40 C ATOM 789 O GLY A 46 -0.597 14.580 0.139 1.00 1.44 O ATOM 0 H GLY A 46 -0.308 13.972 4.282 1.00 1.36 H new ATOM 0 HA2 GLY A 46 0.066 15.699 2.695 1.00 1.42 H new ATOM 0 HA3 GLY A 46 1.288 14.729 1.897 1.00 1.42 H new ATOM 793 N GLY A 47 -1.735 13.514 1.772 1.00 1.34 N ATOM 794 CA GLY A 47 -2.692 12.832 0.904 1.00 1.32 C ATOM 795 C GLY A 47 -2.056 11.800 -0.030 1.00 1.28 C ATOM 796 O GLY A 47 -0.832 11.695 -0.158 1.00 1.27 O ATOM 0 H GLY A 47 -1.916 13.371 2.766 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -3.439 12.336 1.523 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -3.217 13.575 0.304 1.00 1.32 H new ATOM 800 N TYR A 48 -2.910 11.063 -0.744 1.00 1.27 N ATOM 801 CA TYR A 48 -2.463 10.166 -1.819 1.00 1.26 C ATOM 802 C TYR A 48 -1.570 10.855 -2.875 1.00 1.32 C ATOM 803 O TYR A 48 -0.792 10.192 -3.560 1.00 1.31 O ATOM 804 CB TYR A 48 -3.693 9.523 -2.471 1.00 1.28 C ATOM 805 CG TYR A 48 -3.386 8.310 -3.331 1.00 1.26 C ATOM 806 CD1 TYR A 48 -3.187 7.055 -2.725 1.00 1.20 C ATOM 807 CD2 TYR A 48 -3.311 8.431 -4.733 1.00 1.33 C ATOM 808 CE1 TYR A 48 -2.949 5.914 -3.512 1.00 1.21 C ATOM 809 CE2 TYR A 48 -3.053 7.296 -5.524 1.00 1.33 C ATOM 810 CZ TYR A 48 -2.884 6.033 -4.918 1.00 1.27 C ATOM 811 OH TYR A 48 -2.663 4.940 -5.694 1.00 1.29 O ATOM 0 H TYR A 48 -3.920 11.068 -0.598 1.00 1.27 H new ATOM 0 HA TYR A 48 -1.830 9.403 -1.367 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -4.393 9.230 -1.688 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -4.196 10.270 -3.085 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -3.217 6.968 -1.649 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -3.451 9.394 -5.200 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -2.816 4.950 -3.043 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -2.984 7.392 -6.598 1.00 1.33 H new ATOM 0 HH TYR A 48 -2.650 5.206 -6.637 1.00 1.29 H new ATOM 821 N GLU A 49 -1.639 12.186 -3.001 1.00 1.39 N ATOM 822 CA GLU A 49 -0.880 12.913 -4.031 1.00 1.47 C ATOM 823 C GLU A 49 0.601 13.075 -3.669 1.00 1.46 C ATOM 824 O GLU A 49 1.464 12.740 -4.486 1.00 1.48 O ATOM 825 CB GLU A 49 -1.532 14.277 -4.290 1.00 1.57 C ATOM 826 CG GLU A 49 -2.814 14.106 -5.115 1.00 1.61 C ATOM 827 CD GLU A 49 -3.610 15.416 -5.199 1.00 1.71 C ATOM 828 OE1 GLU A 49 -3.184 16.360 -5.908 1.00 1.80 O ATOM 829 OE2 GLU A 49 -4.687 15.487 -4.561 1.00 1.72 O ATOM 0 H GLU A 49 -2.212 12.783 -2.404 1.00 1.39 H new ATOM 0 HA GLU A 49 -0.910 12.317 -4.943 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -1.763 14.763 -3.342 1.00 1.57 H new ATOM 0 HB3 GLU A 49 -0.835 14.926 -4.819 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -2.559 13.769 -6.120 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -3.435 13.330 -4.667 1.00 1.61 H new ATOM 836 N THR A 50 0.928 13.498 -2.439 1.00 1.44 N ATOM 837 CA THR A 50 2.317 13.467 -1.948 1.00 1.45 C ATOM 838 C THR A 50 2.815 12.027 -1.853 1.00 1.37 C ATOM 839 O THR A 50 3.958 11.744 -2.208 1.00 1.40 O ATOM 840 CB THR A 50 2.480 14.162 -0.588 1.00 1.46 C ATOM 841 OG1 THR A 50 2.013 15.493 -0.666 1.00 1.54 O ATOM 842 CG2 THR A 50 3.938 14.248 -0.133 1.00 1.50 C ATOM 0 H THR A 50 0.254 13.865 -1.767 1.00 1.44 H new ATOM 0 HA THR A 50 2.917 14.020 -2.671 1.00 1.45 H new ATOM 0 HB THR A 50 1.911 13.560 0.121 1.00 1.46 H new ATOM 0 HG1 THR A 50 1.067 15.523 -0.413 1.00 1.54 H new ATOM 0 HG21 THR A 50 3.989 14.749 0.834 1.00 1.50 H new ATOM 0 HG22 THR A 50 4.351 13.243 -0.043 1.00 1.50 H new ATOM 0 HG23 THR A 50 4.515 14.813 -0.865 1.00 1.50 H new ATOM 850 N ILE A 51 1.939 11.094 -1.461 1.00 1.30 N ATOM 851 CA ILE A 51 2.257 9.660 -1.464 1.00 1.24 C ATOM 852 C ILE A 51 2.707 9.167 -2.850 1.00 1.27 C ATOM 853 O ILE A 51 3.715 8.471 -2.948 1.00 1.27 O ATOM 854 CB ILE A 51 1.053 8.878 -0.875 1.00 1.18 C ATOM 855 CG1 ILE A 51 1.296 8.483 0.594 1.00 1.14 C ATOM 856 CG2 ILE A 51 0.655 7.629 -1.669 1.00 1.15 C ATOM 857 CD1 ILE A 51 1.247 9.681 1.554 1.00 1.17 C ATOM 0 H ILE A 51 0.997 11.309 -1.135 1.00 1.30 H new ATOM 0 HA ILE A 51 3.119 9.473 -0.824 1.00 1.24 H new ATOM 0 HB ILE A 51 0.221 9.579 -0.944 1.00 1.18 H new ATOM 0 HG12 ILE A 51 0.547 7.751 0.896 1.00 1.14 H new ATOM 0 HG13 ILE A 51 2.268 7.997 0.678 1.00 1.14 H new ATOM 0 HG21 ILE A 51 -0.194 7.146 -1.186 1.00 1.15 H new ATOM 0 HG22 ILE A 51 0.380 7.915 -2.684 1.00 1.15 H new ATOM 0 HG23 ILE A 51 1.496 6.936 -1.703 1.00 1.15 H new ATOM 0 HD11 ILE A 51 1.425 9.338 2.573 1.00 1.17 H new ATOM 0 HD12 ILE A 51 2.014 10.403 1.274 1.00 1.17 H new ATOM 0 HD13 ILE A 51 0.266 10.153 1.497 1.00 1.17 H new ATOM 869 N THR A 52 2.005 9.549 -3.914 1.00 1.30 N ATOM 870 CA THR A 52 2.367 9.135 -5.284 1.00 1.35 C ATOM 871 C THR A 52 3.607 9.865 -5.795 1.00 1.42 C ATOM 872 O THR A 52 4.450 9.248 -6.450 1.00 1.45 O ATOM 873 CB THR A 52 1.177 9.344 -6.233 1.00 1.39 C ATOM 874 OG1 THR A 52 0.114 8.531 -5.784 1.00 1.34 O ATOM 875 CG2 THR A 52 1.456 8.911 -7.672 1.00 1.45 C ATOM 0 H THR A 52 1.179 10.146 -3.863 1.00 1.30 H new ATOM 0 HA THR A 52 2.613 8.074 -5.255 1.00 1.35 H new ATOM 0 HB THR A 52 0.958 10.412 -6.227 1.00 1.39 H new ATOM 0 HG1 THR A 52 -0.317 8.953 -5.011 1.00 1.34 H new ATOM 0 HG21 THR A 52 0.571 9.088 -8.283 1.00 1.45 H new ATOM 0 HG22 THR A 52 2.293 9.486 -8.069 1.00 1.45 H new ATOM 0 HG23 THR A 52 1.704 7.850 -7.691 1.00 1.45 H new ATOM 883 N ALA A 53 3.771 11.139 -5.436 1.00 1.47 N ATOM 884 CA ALA A 53 4.967 11.906 -5.783 1.00 1.55 C ATOM 885 C ALA A 53 6.245 11.445 -5.043 1.00 1.54 C ATOM 886 O ALA A 53 7.344 11.709 -5.542 1.00 1.61 O ATOM 887 CB ALA A 53 4.677 13.386 -5.500 1.00 1.61 C ATOM 0 H ALA A 53 3.082 11.666 -4.899 1.00 1.47 H new ATOM 0 HA ALA A 53 5.179 11.739 -6.839 1.00 1.55 H new ATOM 0 HB1 ALA A 53 5.554 13.983 -5.750 1.00 1.61 H new ATOM 0 HB2 ALA A 53 3.831 13.713 -6.104 1.00 1.61 H new ATOM 0 HB3 ALA A 53 4.440 13.515 -4.444 1.00 1.61 H new ATOM 893 N ARG A 54 6.121 10.773 -3.881 1.00 1.47 N ATOM 894 CA ARG A 54 7.291 10.510 -3.003 1.00 1.49 C ATOM 895 C ARG A 54 7.450 9.070 -2.490 1.00 1.44 C ATOM 896 O ARG A 54 8.472 8.774 -1.871 1.00 1.48 O ATOM 897 CB ARG A 54 7.230 11.464 -1.791 1.00 1.51 C ATOM 898 CG ARG A 54 7.266 12.972 -2.106 1.00 1.59 C ATOM 899 CD ARG A 54 8.575 13.449 -2.757 1.00 1.68 C ATOM 900 NE ARG A 54 9.759 13.192 -1.911 1.00 1.72 N ATOM 901 CZ ARG A 54 10.183 13.903 -0.881 1.00 1.77 C ATOM 902 NH1 ARG A 54 9.570 14.979 -0.473 1.00 1.79 N ATOM 903 NH2 ARG A 54 11.250 13.542 -0.229 1.00 1.82 N ATOM 0 H ARG A 54 5.238 10.405 -3.528 1.00 1.47 H new ATOM 0 HA ARG A 54 8.160 10.681 -3.638 1.00 1.49 H new ATOM 0 HB2 ARG A 54 6.317 11.252 -1.235 1.00 1.51 H new ATOM 0 HB3 ARG A 54 8.066 11.232 -1.131 1.00 1.51 H new ATOM 0 HG2 ARG A 54 6.435 13.213 -2.769 1.00 1.59 H new ATOM 0 HG3 ARG A 54 7.109 13.529 -1.182 1.00 1.59 H new ATOM 0 HD2 ARG A 54 8.703 12.947 -3.716 1.00 1.68 H new ATOM 0 HD3 ARG A 54 8.506 14.517 -2.963 1.00 1.68 H new ATOM 0 HE ARG A 54 10.314 12.370 -2.150 1.00 1.72 H new ATOM 0 HH11 ARG A 54 8.730 15.301 -0.954 1.00 1.79 H new ATOM 0 HH12 ARG A 54 9.931 15.499 0.327 1.00 1.79 H new ATOM 0 HH21 ARG A 54 11.763 12.707 -0.512 1.00 1.82 H new ATOM 0 HH22 ARG A 54 11.573 14.094 0.565 1.00 1.82 H new ATOM 917 N ARG A 55 6.481 8.172 -2.732 1.00 1.37 N ATOM 918 CA ARG A 55 6.382 6.826 -2.111 1.00 1.32 C ATOM 919 C ARG A 55 6.478 6.944 -0.587 1.00 1.31 C ATOM 920 O ARG A 55 7.319 6.348 0.086 1.00 1.35 O ATOM 921 CB ARG A 55 7.359 5.824 -2.772 1.00 1.37 C ATOM 922 CG ARG A 55 7.388 5.885 -4.315 1.00 1.40 C ATOM 923 CD ARG A 55 6.025 5.674 -4.999 1.00 1.35 C ATOM 924 NE ARG A 55 5.811 6.632 -6.105 1.00 1.40 N ATOM 925 CZ ARG A 55 6.246 6.556 -7.347 1.00 1.46 C ATOM 926 NH1 ARG A 55 6.956 5.555 -7.787 1.00 1.49 N ATOM 927 NH2 ARG A 55 5.965 7.518 -8.174 1.00 1.51 N ATOM 0 H ARG A 55 5.719 8.361 -3.383 1.00 1.37 H new ATOM 0 HA ARG A 55 5.401 6.393 -2.305 1.00 1.32 H new ATOM 0 HB2 ARG A 55 8.364 6.012 -2.394 1.00 1.37 H new ATOM 0 HB3 ARG A 55 7.087 4.814 -2.465 1.00 1.37 H new ATOM 0 HG2 ARG A 55 7.784 6.854 -4.618 1.00 1.40 H new ATOM 0 HG3 ARG A 55 8.082 5.129 -4.681 1.00 1.40 H new ATOM 0 HD2 ARG A 55 5.965 4.656 -5.383 1.00 1.35 H new ATOM 0 HD3 ARG A 55 5.228 5.784 -4.263 1.00 1.35 H new ATOM 0 HE ARG A 55 5.256 7.457 -5.878 1.00 1.40 H new ATOM 0 HH11 ARG A 55 7.197 4.787 -7.161 1.00 1.49 H new ATOM 0 HH12 ARG A 55 7.270 5.540 -8.757 1.00 1.49 H new ATOM 0 HH21 ARG A 55 5.415 8.317 -7.859 1.00 1.51 H new ATOM 0 HH22 ARG A 55 6.294 7.474 -9.138 1.00 1.51 H new ATOM 941 N GLN A 56 5.565 7.775 -0.074 1.00 1.28 N ATOM 942 CA GLN A 56 5.566 8.168 1.339 1.00 1.29 C ATOM 943 C GLN A 56 4.872 7.131 2.250 1.00 1.24 C ATOM 944 O GLN A 56 4.828 7.332 3.462 1.00 1.25 O ATOM 945 CB GLN A 56 4.955 9.576 1.499 1.00 1.30 C ATOM 946 CG GLN A 56 5.653 10.444 2.564 1.00 1.37 C ATOM 947 CD GLN A 56 6.859 11.206 2.010 1.00 1.46 C ATOM 948 OE1 GLN A 56 8.081 10.804 2.282 1.00 1.49 O flip ATOM 949 NE2 GLN A 56 6.720 12.201 1.314 1.00 1.51 N flip ATOM 0 H GLN A 56 4.811 8.191 -0.621 1.00 1.28 H new ATOM 0 HA GLN A 56 6.604 8.201 1.670 1.00 1.29 H new ATOM 0 HB2 GLN A 56 4.999 10.091 0.539 1.00 1.30 H new ATOM 0 HB3 GLN A 56 3.901 9.476 1.760 1.00 1.30 H new ATOM 0 HG2 GLN A 56 4.936 11.156 2.973 1.00 1.37 H new ATOM 0 HG3 GLN A 56 5.978 9.809 3.388 1.00 1.37 H new ATOM 0 HE21 GLN A 56 5.784 12.537 1.086 1.00 1.51 H new ATOM 0 HE22 GLN A 56 7.540 12.695 0.961 1.00 1.51 H new ATOM 958 N TRP A 57 4.369 6.004 1.716 1.00 1.19 N ATOM 959 CA TRP A 57 3.798 4.904 2.510 1.00 1.17 C ATOM 960 C TRP A 57 4.744 4.378 3.592 1.00 1.24 C ATOM 961 O TRP A 57 4.282 4.020 4.671 1.00 1.24 O ATOM 962 CB TRP A 57 3.325 3.744 1.625 1.00 1.15 C ATOM 963 CG TRP A 57 2.105 4.037 0.823 1.00 1.11 C ATOM 964 CD1 TRP A 57 2.078 4.409 -0.473 1.00 1.11 C ATOM 965 CD2 TRP A 57 0.718 3.986 1.268 1.00 1.07 C ATOM 966 NE1 TRP A 57 0.768 4.617 -0.852 1.00 1.09 N ATOM 967 CE2 TRP A 57 -0.113 4.389 0.182 1.00 1.07 C ATOM 968 CE3 TRP A 57 0.080 3.659 2.483 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -1.506 4.493 0.306 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -1.315 3.743 2.614 1.00 1.06 C ATOM 971 CH2 TRP A 57 -2.104 4.164 1.532 1.00 1.06 C ATOM 0 H TRP A 57 4.348 5.830 0.711 1.00 1.19 H new ATOM 0 HA TRP A 57 2.936 5.340 3.016 1.00 1.17 H new ATOM 0 HB2 TRP A 57 4.133 3.468 0.947 1.00 1.15 H new ATOM 0 HB3 TRP A 57 3.130 2.878 2.257 1.00 1.15 H new ATOM 0 HD1 TRP A 57 2.942 4.525 -1.111 1.00 1.11 H new ATOM 0 HE1 TRP A 57 0.485 4.906 -1.788 1.00 1.09 H new ATOM 0 HE3 TRP A 57 0.674 3.339 3.326 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -2.108 4.821 -0.528 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -1.783 3.483 3.552 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -3.176 4.235 1.644 1.00 1.06 H new ATOM 982 N LYS A 58 6.052 4.495 3.389 1.00 1.32 N ATOM 983 CA LYS A 58 7.001 4.098 4.431 1.00 1.42 C ATOM 984 C LYS A 58 6.746 4.909 5.710 1.00 1.43 C ATOM 985 O LYS A 58 6.866 4.395 6.822 1.00 1.51 O ATOM 986 CB LYS A 58 8.439 4.333 3.977 1.00 1.54 C ATOM 987 CG LYS A 58 8.954 3.292 3.004 1.00 1.98 C ATOM 988 CD LYS A 58 8.791 1.883 3.545 1.00 2.07 C ATOM 989 CE LYS A 58 7.910 1.049 2.632 1.00 2.58 C ATOM 990 NZ LYS A 58 8.512 0.904 1.278 1.00 2.89 N ATOM 0 H LYS A 58 6.476 4.853 2.533 1.00 1.32 H new ATOM 0 HA LYS A 58 6.858 3.035 4.628 1.00 1.42 H new ATOM 0 HB2 LYS A 58 8.506 5.316 3.511 1.00 1.54 H new ATOM 0 HB3 LYS A 58 9.088 4.350 4.853 1.00 1.54 H new ATOM 0 HG2 LYS A 58 8.419 3.382 2.059 1.00 1.98 H new ATOM 0 HG3 LYS A 58 10.007 3.481 2.794 1.00 1.98 H new ATOM 0 HD2 LYS A 58 9.769 1.412 3.643 1.00 2.07 H new ATOM 0 HD3 LYS A 58 8.354 1.921 4.543 1.00 2.07 H new ATOM 0 HE2 LYS A 58 7.758 0.063 3.072 1.00 2.58 H new ATOM 0 HE3 LYS A 58 6.928 1.515 2.547 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 7.757 0.876 0.564 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 9.138 1.712 1.088 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 9.062 0.022 1.235 1.00 2.89 H new ATOM 1004 N HIS A 59 6.402 6.188 5.527 1.00 1.39 N ATOM 1005 CA HIS A 59 6.114 7.095 6.639 1.00 1.40 C ATOM 1006 C HIS A 59 4.730 6.801 7.243 1.00 1.32 C ATOM 1007 O HIS A 59 4.501 7.031 8.429 1.00 1.35 O ATOM 1008 CB HIS A 59 6.257 8.547 6.176 1.00 1.43 C ATOM 1009 CG HIS A 59 7.642 8.858 5.678 1.00 1.58 C ATOM 1010 ND1 HIS A 59 8.307 8.429 4.574 1.00 1.81 N flip ATOM 1011 CD2 HIS A 59 8.522 9.676 6.353 1.00 1.59 C flip ATOM 1012 CE1 HIS A 59 9.560 8.986 4.605 1.00 1.93 C flip ATOM 1013 NE2 HIS A 59 9.664 9.736 5.688 1.00 1.79 N flip ATOM 0 H HIS A 59 6.316 6.621 4.607 1.00 1.39 H new ATOM 0 HA HIS A 59 6.839 6.931 7.436 1.00 1.40 H new ATOM 0 HB2 HIS A 59 5.536 8.745 5.383 1.00 1.43 H new ATOM 0 HB3 HIS A 59 6.013 9.214 7.002 1.00 1.43 H new ATOM 0 HD2 HIS A 59 8.312 10.188 7.280 1.00 1.59 H new ATOM 0 HE1 HIS A 59 10.334 8.836 3.866 1.00 1.93 H new ATOM 0 HE2 HIS A 59 10.487 10.271 5.965 1.00 1.79 H new ATOM 1022 N ILE A 60 3.800 6.336 6.405 1.00 1.23 N ATOM 1023 CA ILE A 60 2.479 5.886 6.866 1.00 1.20 C ATOM 1024 C ILE A 60 2.709 4.663 7.751 1.00 1.27 C ATOM 1025 O ILE A 60 2.183 4.638 8.852 1.00 1.33 O ATOM 1026 CB ILE A 60 1.495 5.616 5.706 1.00 1.15 C ATOM 1027 CG1 ILE A 60 1.090 6.972 5.088 1.00 1.14 C ATOM 1028 CG2 ILE A 60 0.256 4.839 6.197 1.00 1.18 C ATOM 1029 CD1 ILE A 60 0.282 6.858 3.795 1.00 1.14 C ATOM 0 H ILE A 60 3.937 6.260 5.397 1.00 1.23 H new ATOM 0 HA ILE A 60 1.992 6.676 7.438 1.00 1.20 H new ATOM 0 HB ILE A 60 1.979 4.996 4.951 1.00 1.15 H new ATOM 0 HG12 ILE A 60 0.506 7.531 5.819 1.00 1.14 H new ATOM 0 HG13 ILE A 60 1.992 7.551 4.889 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -0.419 4.663 5.359 1.00 1.18 H new ATOM 0 HG22 ILE A 60 0.569 3.883 6.617 1.00 1.18 H new ATOM 0 HG23 ILE A 60 -0.259 5.421 6.962 1.00 1.18 H new ATOM 0 HD11 ILE A 60 0.039 7.855 3.429 1.00 1.14 H new ATOM 0 HD12 ILE A 60 0.869 6.329 3.045 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -0.639 6.309 3.989 1.00 1.14 H new ATOM 1041 N TYR A 61 3.581 3.728 7.357 1.00 1.31 N ATOM 1042 CA TYR A 61 4.063 2.634 8.213 1.00 1.43 C ATOM 1043 C TYR A 61 4.636 3.136 9.559 1.00 1.53 C ATOM 1044 O TYR A 61 4.492 2.474 10.588 1.00 1.64 O ATOM 1045 CB TYR A 61 5.094 1.812 7.425 1.00 1.46 C ATOM 1046 CG TYR A 61 5.833 0.741 8.206 1.00 1.62 C ATOM 1047 CD1 TYR A 61 5.239 -0.517 8.434 1.00 1.68 C ATOM 1048 CD2 TYR A 61 7.138 0.999 8.671 1.00 1.73 C ATOM 1049 CE1 TYR A 61 5.951 -1.521 9.123 1.00 1.84 C ATOM 1050 CE2 TYR A 61 7.850 -0.001 9.360 1.00 1.89 C ATOM 1051 CZ TYR A 61 7.262 -1.264 9.585 1.00 1.94 C ATOM 1052 OH TYR A 61 7.974 -2.222 10.237 1.00 2.11 O ATOM 0 H TYR A 61 3.979 3.709 6.418 1.00 1.31 H new ATOM 0 HA TYR A 61 3.216 2.001 8.480 1.00 1.43 H new ATOM 0 HB2 TYR A 61 4.585 1.336 6.587 1.00 1.46 H new ATOM 0 HB3 TYR A 61 5.829 2.497 7.003 1.00 1.46 H new ATOM 0 HD1 TYR A 61 4.237 -0.712 8.081 1.00 1.68 H new ATOM 0 HD2 TYR A 61 7.592 1.964 8.499 1.00 1.73 H new ATOM 0 HE1 TYR A 61 5.495 -2.484 9.297 1.00 1.84 H new ATOM 0 HE2 TYR A 61 8.849 0.199 9.718 1.00 1.89 H new ATOM 0 HH TYR A 61 8.855 -1.867 10.479 1.00 2.11 H new ATOM 1062 N ASP A 62 5.219 4.341 9.543 1.00 1.52 N ATOM 1063 CA ASP A 62 5.673 5.012 10.771 1.00 1.62 C ATOM 1064 C ASP A 62 4.497 5.413 11.678 1.00 1.61 C ATOM 1065 O ASP A 62 4.464 5.032 12.850 1.00 1.72 O ATOM 1066 CB ASP A 62 6.635 6.178 10.495 1.00 1.65 C ATOM 1067 CG ASP A 62 7.340 6.621 11.788 1.00 1.79 C ATOM 1068 OD1 ASP A 62 8.288 5.929 12.230 1.00 1.92 O ATOM 1069 OD2 ASP A 62 6.957 7.670 12.363 1.00 1.79 O ATOM 0 H ASP A 62 5.389 4.874 8.690 1.00 1.52 H new ATOM 0 HA ASP A 62 6.256 4.277 11.325 1.00 1.62 H new ATOM 0 HB2 ASP A 62 7.377 5.876 9.756 1.00 1.65 H new ATOM 0 HB3 ASP A 62 6.084 7.017 10.070 1.00 1.65 H new ATOM 1074 N GLU A 63 3.485 6.095 11.131 1.00 1.50 N ATOM 1075 CA GLU A 63 2.239 6.378 11.866 1.00 1.50 C ATOM 1076 C GLU A 63 1.438 5.114 12.272 1.00 1.56 C ATOM 1077 O GLU A 63 0.871 5.082 13.366 1.00 1.66 O ATOM 1078 CB GLU A 63 1.385 7.344 11.029 1.00 1.41 C ATOM 1079 CG GLU A 63 0.072 7.784 11.698 1.00 1.44 C ATOM 1080 CD GLU A 63 0.260 8.502 13.047 1.00 1.53 C ATOM 1081 OE1 GLU A 63 1.127 9.400 13.152 1.00 1.53 O ATOM 1082 OE2 GLU A 63 -0.526 8.254 13.991 1.00 1.61 O ATOM 0 H GLU A 63 3.501 6.464 10.180 1.00 1.50 H new ATOM 0 HA GLU A 63 2.515 6.838 12.815 1.00 1.50 H new ATOM 0 HB2 GLU A 63 1.978 8.231 10.805 1.00 1.41 H new ATOM 0 HB3 GLU A 63 1.150 6.868 10.077 1.00 1.41 H new ATOM 0 HG2 GLU A 63 -0.465 8.446 11.019 1.00 1.44 H new ATOM 0 HG3 GLU A 63 -0.557 6.907 11.851 1.00 1.44 H new ATOM 1089 N LEU A 64 1.419 4.055 11.448 1.00 1.54 N ATOM 1090 CA LEU A 64 0.822 2.748 11.779 1.00 1.64 C ATOM 1091 C LEU A 64 1.539 2.061 12.957 1.00 1.79 C ATOM 1092 O LEU A 64 0.930 1.238 13.648 1.00 1.90 O ATOM 1093 CB LEU A 64 0.848 1.783 10.566 1.00 1.59 C ATOM 1094 CG LEU A 64 0.035 2.181 9.321 1.00 1.48 C ATOM 1095 CD1 LEU A 64 0.171 1.107 8.240 1.00 1.46 C ATOM 1096 CD2 LEU A 64 -1.449 2.401 9.622 1.00 1.53 C ATOM 0 H LEU A 64 1.826 4.082 10.513 1.00 1.54 H new ATOM 0 HA LEU A 64 -0.209 2.960 12.061 1.00 1.64 H new ATOM 0 HB2 LEU A 64 1.887 1.654 10.262 1.00 1.59 H new ATOM 0 HB3 LEU A 64 0.491 0.810 10.903 1.00 1.59 H new ATOM 0 HG LEU A 64 0.445 3.130 8.974 1.00 1.48 H new ATOM 0 HD11 LEU A 64 -0.408 1.398 7.363 1.00 1.46 H new ATOM 0 HD12 LEU A 64 1.220 1.000 7.963 1.00 1.46 H new ATOM 0 HD13 LEU A 64 -0.202 0.157 8.622 1.00 1.46 H new ATOM 0 HD21 LEU A 64 -1.969 2.679 8.705 1.00 1.53 H new ATOM 0 HD22 LEU A 64 -1.880 1.482 10.019 1.00 1.53 H new ATOM 0 HD23 LEU A 64 -1.557 3.199 10.357 1.00 1.53 H new ATOM 1108 N GLY A 65 2.869 1.964 12.880 1.00 1.82 N ATOM 1109 CA GLY A 65 3.585 1.268 13.959 1.00 2.01 C ATOM 1110 C GLY A 65 4.887 0.613 13.489 1.00 2.12 C ATOM 1111 O GLY A 65 5.324 0.834 12.364 1.00 1.99 O ATOM 0 H GLY A 65 3.449 2.335 12.127 1.00 1.82 H new ATOM 0 HA2 GLY A 65 3.809 1.978 14.755 1.00 2.01 H new ATOM 0 HA3 GLY A 65 2.934 0.505 14.386 1.00 2.01 H new ATOM 1115 N GLY A 66 5.498 -0.227 14.349 1.00 2.43 N ATOM 1116 CA GLY A 66 6.681 -1.003 13.936 1.00 2.61 C ATOM 1117 C GLY A 66 6.291 -2.458 13.581 1.00 2.81 C ATOM 1118 O GLY A 66 5.430 -3.035 14.247 1.00 3.02 O ATOM 0 H GLY A 66 5.199 -0.382 15.312 1.00 2.43 H new ATOM 0 HA2 GLY A 66 7.150 -0.528 13.075 1.00 2.61 H new ATOM 0 HA3 GLY A 66 7.418 -1.005 14.739 1.00 2.61 H new ATOM 1122 N ASN A 67 6.909 -3.056 12.541 1.00 2.79 N ATOM 1123 CA ASN A 67 6.605 -4.454 12.126 1.00 3.02 C ATOM 1124 C ASN A 67 7.889 -5.196 11.685 1.00 3.12 C ATOM 1125 O ASN A 67 8.408 -4.946 10.592 1.00 2.83 O ATOM 1126 CB ASN A 67 5.549 -4.451 11.001 1.00 2.85 C ATOM 1127 CG ASN A 67 5.218 -5.827 10.427 1.00 3.14 C ATOM 1128 OD1 ASN A 67 5.848 -6.275 9.472 1.00 3.57 O ATOM 1129 ND2 ASN A 67 4.205 -6.493 10.978 1.00 3.34 N ATOM 0 H ASN A 67 7.621 -2.599 11.971 1.00 2.79 H new ATOM 0 HA ASN A 67 6.198 -4.991 12.983 1.00 3.02 H new ATOM 0 HB2 ASN A 67 4.632 -4.003 11.384 1.00 2.85 H new ATOM 0 HB3 ASN A 67 5.902 -3.811 10.192 1.00 2.85 H new ATOM 0 HD21 ASN A 67 3.932 -7.403 10.608 1.00 3.34 H new ATOM 0 HD22 ASN A 67 3.702 -6.093 11.770 1.00 3.34 H new ATOM 1136 N PRO A 68 8.410 -6.115 12.532 1.00 3.59 N ATOM 1137 CA PRO A 68 9.654 -6.872 12.264 1.00 3.82 C ATOM 1138 C PRO A 68 9.754 -7.578 10.895 1.00 3.69 C ATOM 1139 O PRO A 68 8.909 -8.397 10.527 1.00 3.80 O ATOM 1140 CB PRO A 68 9.698 -7.929 13.385 1.00 4.46 C ATOM 1141 CG PRO A 68 8.411 -7.822 14.134 1.00 4.52 C ATOM 1142 CD PRO A 68 7.850 -6.458 13.852 1.00 3.98 C ATOM 0 HA PRO A 68 10.486 -6.168 12.240 1.00 3.82 H new ATOM 0 HB2 PRO A 68 9.820 -8.929 12.968 1.00 4.46 H new ATOM 0 HB3 PRO A 68 10.546 -7.754 14.047 1.00 4.46 H new ATOM 0 HG2 PRO A 68 7.715 -8.598 13.817 1.00 4.52 H new ATOM 0 HG3 PRO A 68 8.575 -7.958 15.203 1.00 4.52 H new ATOM 0 HD2 PRO A 68 6.760 -6.469 13.834 1.00 3.98 H new ATOM 0 HD3 PRO A 68 8.149 -5.737 14.613 1.00 3.98 H new ATOM 1150 N GLY A 69 10.835 -7.250 10.164 1.00 3.53 N ATOM 1151 CA GLY A 69 11.120 -7.874 8.873 1.00 3.44 C ATOM 1152 C GLY A 69 10.417 -7.272 7.666 1.00 2.86 C ATOM 1153 O GLY A 69 10.514 -7.827 6.569 1.00 2.82 O ATOM 0 H GLY A 69 11.523 -6.554 10.452 1.00 3.53 H new ATOM 0 HA2 GLY A 69 12.195 -7.829 8.701 1.00 3.44 H new ATOM 0 HA3 GLY A 69 10.851 -8.928 8.935 1.00 3.44 H new ATOM 1157 N SER A 70 9.726 -6.147 7.827 1.00 2.44 N ATOM 1158 CA SER A 70 9.010 -5.558 6.696 1.00 2.00 C ATOM 1159 C SER A 70 9.490 -4.157 6.328 1.00 1.53 C ATOM 1160 O SER A 70 9.606 -3.281 7.185 1.00 1.46 O ATOM 1161 CB SER A 70 7.510 -5.532 6.982 1.00 2.18 C ATOM 1162 OG SER A 70 6.775 -5.209 5.817 1.00 2.80 O ATOM 0 H SER A 70 9.646 -5.635 8.705 1.00 2.44 H new ATOM 0 HA SER A 70 9.223 -6.194 5.837 1.00 2.00 H new ATOM 0 HB2 SER A 70 7.192 -6.504 7.359 1.00 2.18 H new ATOM 0 HB3 SER A 70 7.298 -4.802 7.763 1.00 2.18 H new ATOM 0 HG SER A 70 5.967 -5.762 5.777 1.00 2.80 H new ATOM 1168 N THR A 71 9.750 -3.957 5.034 1.00 1.44 N ATOM 1169 CA THR A 71 10.174 -2.659 4.519 1.00 1.46 C ATOM 1170 C THR A 71 9.334 -2.281 3.286 1.00 1.45 C ATOM 1171 O THR A 71 9.794 -1.567 2.394 1.00 1.87 O ATOM 1172 CB THR A 71 11.689 -2.626 4.179 1.00 1.83 C ATOM 1173 OG1 THR A 71 12.079 -1.301 3.791 1.00 2.27 O ATOM 1174 CG2 THR A 71 12.035 -3.603 3.065 1.00 2.08 C ATOM 0 H THR A 71 9.673 -4.684 4.322 1.00 1.44 H new ATOM 0 HA THR A 71 10.010 -1.924 5.307 1.00 1.46 H new ATOM 0 HB THR A 71 12.234 -2.924 5.075 1.00 1.83 H new ATOM 0 HG1 THR A 71 11.352 -0.881 3.286 1.00 2.27 H new ATOM 0 HG21 THR A 71 13.103 -3.552 2.855 1.00 2.08 H new ATOM 0 HG22 THR A 71 11.774 -4.615 3.375 1.00 2.08 H new ATOM 0 HG23 THR A 71 11.476 -3.343 2.166 1.00 2.08 H new ATOM 1182 N SER A 72 8.087 -2.771 3.257 1.00 1.38 N ATOM 1183 CA SER A 72 7.164 -2.494 2.150 1.00 1.57 C ATOM 1184 C SER A 72 5.719 -2.840 2.539 1.00 1.49 C ATOM 1185 O SER A 72 4.847 -2.999 1.680 1.00 1.91 O ATOM 1186 CB SER A 72 7.590 -3.271 0.892 1.00 2.05 C ATOM 1187 OG SER A 72 6.840 -4.459 0.722 1.00 2.49 O ATOM 0 H SER A 72 7.695 -3.362 3.990 1.00 1.38 H new ATOM 0 HA SER A 72 7.205 -1.427 1.929 1.00 1.57 H new ATOM 0 HB2 SER A 72 7.467 -2.636 0.015 1.00 2.05 H new ATOM 0 HB3 SER A 72 8.649 -3.518 0.960 1.00 2.05 H new ATOM 0 HG SER A 72 7.210 -5.164 1.293 1.00 2.49 H new ATOM 1193 N ALA A 73 5.473 -2.922 3.847 1.00 1.18 N ATOM 1194 CA ALA A 73 4.150 -3.265 4.379 1.00 1.24 C ATOM 1195 C ALA A 73 3.065 -2.274 3.951 1.00 1.27 C ATOM 1196 O ALA A 73 1.954 -2.676 3.603 1.00 1.39 O ATOM 1197 CB ALA A 73 4.207 -3.354 5.896 1.00 1.32 C ATOM 0 H ALA A 73 6.178 -2.754 4.564 1.00 1.18 H new ATOM 0 HA ALA A 73 3.878 -4.234 3.961 1.00 1.24 H new ATOM 0 HB1 ALA A 73 3.220 -3.609 6.283 1.00 1.32 H new ATOM 0 HB2 ALA A 73 4.922 -4.123 6.189 1.00 1.32 H new ATOM 0 HB3 ALA A 73 4.520 -2.393 6.305 1.00 1.32 H new ATOM 1203 N ALA A 74 3.392 -0.986 3.972 1.00 1.27 N ATOM 1204 CA ALA A 74 2.435 0.049 3.599 1.00 1.40 C ATOM 1205 C ALA A 74 2.380 0.258 2.086 1.00 1.28 C ATOM 1206 O ALA A 74 1.454 0.884 1.574 1.00 1.34 O ATOM 1207 CB ALA A 74 2.771 1.345 4.314 1.00 1.61 C ATOM 0 H ALA A 74 4.310 -0.635 4.243 1.00 1.27 H new ATOM 0 HA ALA A 74 1.444 -0.282 3.909 1.00 1.40 H new ATOM 0 HB1 ALA A 74 2.052 2.114 4.031 1.00 1.61 H new ATOM 0 HB2 ALA A 74 2.728 1.188 5.392 1.00 1.61 H new ATOM 0 HB3 ALA A 74 3.774 1.666 4.034 1.00 1.61 H new ATOM 1213 N THR A 75 3.372 -0.273 1.377 1.00 1.16 N ATOM 1214 CA THR A 75 3.425 -0.157 -0.077 1.00 1.15 C ATOM 1215 C THR A 75 2.313 -0.989 -0.717 1.00 1.20 C ATOM 1216 O THR A 75 1.729 -0.595 -1.727 1.00 1.25 O ATOM 1217 CB THR A 75 4.794 -0.608 -0.622 1.00 1.17 C ATOM 1218 OG1 THR A 75 5.844 0.035 0.110 1.00 1.24 O ATOM 1219 CG2 THR A 75 4.931 -0.276 -2.102 1.00 1.66 C ATOM 0 H THR A 75 4.151 -0.789 1.786 1.00 1.16 H new ATOM 0 HA THR A 75 3.282 0.893 -0.334 1.00 1.15 H new ATOM 0 HB THR A 75 4.868 -1.689 -0.501 1.00 1.17 H new ATOM 0 HG1 THR A 75 6.185 0.795 -0.407 1.00 1.24 H new ATOM 0 HG21 THR A 75 5.906 -0.605 -2.460 1.00 1.66 H new ATOM 0 HG22 THR A 75 4.148 -0.785 -2.663 1.00 1.66 H new ATOM 0 HG23 THR A 75 4.837 0.801 -2.244 1.00 1.66 H new ATOM 1227 N CYS A 76 2.036 -2.147 -0.120 1.00 1.24 N ATOM 1228 CA CYS A 76 0.973 -3.029 -0.595 1.00 1.36 C ATOM 1229 C CYS A 76 -0.392 -2.403 -0.313 1.00 1.39 C ATOM 1230 O CYS A 76 -1.371 -2.662 -1.015 1.00 1.46 O ATOM 1231 CB CYS A 76 1.076 -4.396 0.082 1.00 1.46 C ATOM 1232 SG CYS A 76 2.643 -5.254 -0.208 1.00 1.61 S ATOM 0 H CYS A 76 2.536 -2.497 0.697 1.00 1.24 H new ATOM 0 HA CYS A 76 1.084 -3.164 -1.671 1.00 1.36 H new ATOM 0 HB2 CYS A 76 0.938 -4.268 1.156 1.00 1.46 H new ATOM 0 HB3 CYS A 76 0.259 -5.026 -0.271 1.00 1.46 H new ATOM 0 HG CYS A 76 2.460 -6.537 -0.108 1.00 1.61 H new ATOM 1238 N THR A 77 -0.434 -1.586 0.744 1.00 1.35 N ATOM 1239 CA THR A 77 -1.645 -0.886 1.168 1.00 1.39 C ATOM 1240 C THR A 77 -2.103 0.135 0.118 1.00 1.34 C ATOM 1241 O THR A 77 -3.286 0.456 0.033 1.00 1.38 O ATOM 1242 CB THR A 77 -1.415 -0.177 2.520 1.00 1.41 C ATOM 1243 OG1 THR A 77 -0.703 -1.046 3.409 1.00 1.48 O ATOM 1244 CG2 THR A 77 -2.731 0.228 3.166 1.00 1.49 C ATOM 0 H THR A 77 0.377 -1.392 1.331 1.00 1.35 H new ATOM 0 HA THR A 77 -2.431 -1.633 1.282 1.00 1.39 H new ATOM 0 HB THR A 77 -0.832 0.724 2.329 1.00 1.41 H new ATOM 0 HG1 THR A 77 -0.614 -0.616 4.285 1.00 1.48 H new ATOM 0 HG21 THR A 77 -2.532 0.724 4.116 1.00 1.49 H new ATOM 0 HG22 THR A 77 -3.266 0.910 2.505 1.00 1.49 H new ATOM 0 HG23 THR A 77 -3.339 -0.660 3.341 1.00 1.49 H new ATOM 1252 N ARG A 78 -1.147 0.654 -0.660 1.00 1.27 N ATOM 1253 CA ARG A 78 -1.430 1.632 -1.721 1.00 1.25 C ATOM 1254 C ARG A 78 -2.439 1.078 -2.733 1.00 1.30 C ATOM 1255 O ARG A 78 -3.322 1.793 -3.211 1.00 1.29 O ATOM 1256 CB ARG A 78 -0.120 2.004 -2.429 1.00 1.25 C ATOM 1257 CG ARG A 78 -0.296 2.713 -3.765 1.00 1.33 C ATOM 1258 CD ARG A 78 1.050 3.039 -4.395 1.00 1.40 C ATOM 1259 NE ARG A 78 0.969 3.144 -5.851 1.00 1.56 N ATOM 1260 CZ ARG A 78 1.950 2.780 -6.678 1.00 1.92 C ATOM 1261 NH1 ARG A 78 3.088 2.287 -6.197 1.00 2.01 N ATOM 1262 NH2 ARG A 78 1.795 2.912 -7.988 1.00 2.42 N ATOM 0 H ARG A 78 -0.160 0.411 -0.574 1.00 1.27 H new ATOM 0 HA ARG A 78 -1.869 2.521 -1.268 1.00 1.25 H new ATOM 0 HB2 ARG A 78 0.465 2.644 -1.768 1.00 1.25 H new ATOM 0 HB3 ARG A 78 0.461 1.096 -2.589 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -0.874 2.083 -4.441 1.00 1.33 H new ATOM 0 HG3 ARG A 78 -0.865 3.631 -3.620 1.00 1.33 H new ATOM 0 HD2 ARG A 78 1.423 3.978 -3.985 1.00 1.40 H new ATOM 0 HD3 ARG A 78 1.771 2.266 -4.128 1.00 1.40 H new ATOM 0 HE ARG A 78 0.112 3.518 -6.258 1.00 1.56 H new ATOM 0 HH11 ARG A 78 3.214 2.185 -5.190 1.00 2.01 H new ATOM 0 HH12 ARG A 78 3.834 2.011 -6.835 1.00 2.01 H new ATOM 0 HH21 ARG A 78 0.926 3.292 -8.363 1.00 2.42 H new ATOM 0 HH22 ARG A 78 2.545 2.634 -8.621 1.00 2.42 H new ATOM 1276 N ARG A 79 -2.289 -0.205 -3.036 1.00 1.37 N ATOM 1277 CA ARG A 79 -3.152 -0.912 -3.975 1.00 1.45 C ATOM 1278 C ARG A 79 -4.554 -1.184 -3.416 1.00 1.48 C ATOM 1279 O ARG A 79 -5.513 -1.284 -4.179 1.00 1.54 O ATOM 1280 CB ARG A 79 -2.491 -2.210 -4.471 1.00 1.52 C ATOM 1281 CG ARG A 79 -1.114 -1.969 -5.119 1.00 1.51 C ATOM 1282 CD ARG A 79 -0.512 -3.255 -5.700 1.00 1.59 C ATOM 1283 NE ARG A 79 -1.247 -3.724 -6.895 1.00 1.67 N ATOM 1284 CZ ARG A 79 -1.024 -4.834 -7.574 1.00 1.76 C ATOM 1285 NH1 ARG A 79 -0.088 -5.676 -7.239 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -1.743 -5.124 -8.621 1.00 1.82 N ATOM 0 H ARG A 79 -1.557 -0.791 -2.633 1.00 1.37 H new ATOM 0 HA ARG A 79 -3.285 -0.246 -4.827 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -2.378 -2.898 -3.633 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -3.148 -2.694 -5.194 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -1.212 -1.226 -5.911 1.00 1.51 H new ATOM 0 HG3 ARG A 79 -0.433 -1.555 -4.376 1.00 1.51 H new ATOM 0 HD2 ARG A 79 0.531 -3.080 -5.962 1.00 1.59 H new ATOM 0 HD3 ARG A 79 -0.523 -4.035 -4.939 1.00 1.59 H new ATOM 0 HE ARG A 79 -2.004 -3.128 -7.229 1.00 1.67 H new ATOM 0 HH11 ARG A 79 0.501 -5.487 -6.428 1.00 1.79 H new ATOM 0 HH12 ARG A 79 0.055 -6.524 -7.788 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -2.485 -4.491 -8.922 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -1.564 -5.984 -9.140 1.00 1.82 H new ATOM 1300 N HIS A 80 -4.682 -1.260 -2.090 1.00 1.47 N ATOM 1301 CA HIS A 80 -5.966 -1.300 -1.393 1.00 1.50 C ATOM 1302 C HIS A 80 -6.605 0.098 -1.358 1.00 1.44 C ATOM 1303 O HIS A 80 -7.740 0.256 -1.804 1.00 1.48 O ATOM 1304 CB HIS A 80 -5.767 -1.902 0.010 1.00 1.52 C ATOM 1305 CG HIS A 80 -5.119 -3.271 -0.006 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -5.278 -4.253 -0.956 1.00 1.62 N flip ATOM 1307 CD2 HIS A 80 -4.252 -3.773 0.939 1.00 1.68 C flip ATOM 1308 CE1 HIS A 80 -4.496 -5.355 -0.582 1.00 1.70 C flip ATOM 1309 NE2 HIS A 80 -3.899 -5.017 0.572 1.00 1.74 N flip ATOM 0 H HIS A 80 -3.880 -1.296 -1.460 1.00 1.47 H new ATOM 0 HA HIS A 80 -6.663 -1.942 -1.931 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -5.153 -1.225 0.603 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -6.735 -1.973 0.507 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -3.913 -3.255 1.824 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -4.394 -6.289 -1.115 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -3.266 -5.620 1.097 1.00 1.74 H new ATOM 1318 N TYR A 81 -5.871 1.138 -0.936 1.00 1.35 N ATOM 1319 CA TYR A 81 -6.378 2.518 -0.835 1.00 1.29 C ATOM 1320 C TYR A 81 -6.948 3.046 -2.159 1.00 1.32 C ATOM 1321 O TYR A 81 -7.990 3.704 -2.160 1.00 1.34 O ATOM 1322 CB TYR A 81 -5.248 3.426 -0.319 1.00 1.21 C ATOM 1323 CG TYR A 81 -5.651 4.848 0.070 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -5.958 5.805 -0.922 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -5.663 5.233 1.425 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -6.295 7.125 -0.562 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -5.927 6.570 1.783 1.00 1.12 C ATOM 1328 CZ TYR A 81 -6.260 7.521 0.794 1.00 1.12 C ATOM 1329 OH TYR A 81 -6.578 8.794 1.158 1.00 1.11 O ATOM 0 H TYR A 81 -4.896 1.045 -0.651 1.00 1.35 H new ATOM 0 HA TYR A 81 -7.212 2.521 -0.133 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -4.794 2.949 0.549 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -4.478 3.486 -1.088 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -5.934 5.523 -1.964 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -5.469 4.499 2.194 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -6.581 7.835 -1.324 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -5.874 6.869 2.819 1.00 1.12 H new ATOM 0 HH TYR A 81 -7.186 9.182 0.495 1.00 1.11 H new ATOM 1339 N GLU A 82 -6.332 2.706 -3.303 1.00 1.34 N ATOM 1340 CA GLU A 82 -6.744 3.189 -4.621 1.00 1.39 C ATOM 1341 C GLU A 82 -8.075 2.585 -5.095 1.00 1.50 C ATOM 1342 O GLU A 82 -8.603 2.999 -6.130 1.00 1.56 O ATOM 1343 CB GLU A 82 -5.621 3.045 -5.660 1.00 1.40 C ATOM 1344 CG GLU A 82 -5.388 1.621 -6.152 1.00 1.46 C ATOM 1345 CD GLU A 82 -4.469 1.603 -7.386 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -4.957 1.934 -8.496 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -3.274 1.238 -7.261 1.00 1.46 O ATOM 0 H GLU A 82 -5.526 2.081 -3.334 1.00 1.34 H new ATOM 0 HA GLU A 82 -6.935 4.257 -4.512 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -5.854 3.677 -6.517 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -4.694 3.422 -5.228 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -4.943 1.026 -5.355 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -6.343 1.158 -6.400 1.00 1.46 H new ATOM 1354 N ARG A 83 -8.624 1.621 -4.334 1.00 1.53 N ATOM 1355 CA ARG A 83 -9.987 1.117 -4.547 1.00 1.64 C ATOM 1356 C ARG A 83 -10.886 1.195 -3.307 1.00 1.64 C ATOM 1357 O ARG A 83 -12.084 0.953 -3.431 1.00 1.73 O ATOM 1358 CB ARG A 83 -9.947 -0.328 -5.088 1.00 1.73 C ATOM 1359 CG ARG A 83 -9.260 -0.499 -6.449 1.00 1.75 C ATOM 1360 CD ARG A 83 -9.984 0.237 -7.589 1.00 1.81 C ATOM 1361 NE ARG A 83 -9.256 0.079 -8.863 1.00 1.84 N ATOM 1362 CZ ARG A 83 -8.173 0.743 -9.233 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -7.725 1.775 -8.585 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -7.482 0.365 -10.270 1.00 1.82 N ATOM 0 H ARG A 83 -8.136 1.173 -3.558 1.00 1.53 H new ATOM 0 HA ARG A 83 -10.437 1.781 -5.285 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -9.436 -0.957 -4.360 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -10.969 -0.698 -5.166 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -8.236 -0.132 -6.381 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -9.203 -1.561 -6.689 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -10.997 -0.152 -7.693 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -10.073 1.296 -7.345 1.00 1.81 H new ATOM 0 HE ARG A 83 -9.623 -0.608 -9.522 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -8.213 2.106 -7.752 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -6.885 2.255 -8.909 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -7.774 -0.451 -10.807 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -6.649 0.885 -10.545 1.00 1.82 H new ATOM 1378 N LEU A 84 -10.339 1.558 -2.141 1.00 1.56 N ATOM 1379 CA LEU A 84 -11.056 1.436 -0.869 1.00 1.57 C ATOM 1380 C LEU A 84 -11.322 2.796 -0.202 1.00 1.51 C ATOM 1381 O LEU A 84 -12.094 2.868 0.747 1.00 1.54 O ATOM 1382 CB LEU A 84 -10.213 0.494 0.007 1.00 1.56 C ATOM 1383 CG LEU A 84 -10.841 0.051 1.328 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -12.148 -0.709 1.133 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -9.871 -0.861 2.072 1.00 1.61 C ATOM 0 H LEU A 84 -9.397 1.940 -2.054 1.00 1.56 H new ATOM 0 HA LEU A 84 -12.054 1.026 -1.025 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -9.979 -0.397 -0.576 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -9.267 0.988 0.227 1.00 1.56 H new ATOM 0 HG LEU A 84 -11.054 0.957 1.895 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -12.549 -0.999 2.104 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -12.867 -0.071 0.620 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -11.964 -1.602 0.535 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -10.319 -1.177 3.014 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -9.654 -1.737 1.461 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -8.946 -0.321 2.273 1.00 1.61 H new ATOM 1397 N ILE A 85 -10.715 3.877 -0.707 1.00 1.44 N ATOM 1398 CA ILE A 85 -11.099 5.246 -0.310 1.00 1.41 C ATOM 1399 C ILE A 85 -10.709 6.320 -1.325 1.00 1.39 C ATOM 1400 O ILE A 85 -11.389 7.338 -1.369 1.00 1.42 O ATOM 1401 CB ILE A 85 -10.615 5.590 1.110 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -11.275 6.902 1.598 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -9.088 5.661 1.199 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -11.344 7.032 3.121 1.00 1.33 C ATOM 0 H ILE A 85 -9.958 3.835 -1.389 1.00 1.44 H new ATOM 0 HA ILE A 85 -12.189 5.248 -0.296 1.00 1.41 H new ATOM 0 HB ILE A 85 -10.924 4.781 1.772 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -10.719 7.749 1.196 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -12.285 6.962 1.192 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -8.794 5.906 2.220 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -8.662 4.697 0.921 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -8.719 6.430 0.520 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -11.819 7.977 3.384 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -11.926 6.207 3.531 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -10.336 7.005 3.535 1.00 1.33 H new ATOM 1416 N LEU A 86 -9.733 6.097 -2.213 1.00 1.37 N ATOM 1417 CA LEU A 86 -9.503 6.981 -3.364 1.00 1.39 C ATOM 1418 C LEU A 86 -10.798 7.301 -4.162 1.00 1.49 C ATOM 1419 O LEU A 86 -10.991 8.473 -4.504 1.00 1.52 O ATOM 1420 CB LEU A 86 -8.401 6.367 -4.241 1.00 1.37 C ATOM 1421 CG LEU A 86 -8.001 7.175 -5.490 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -7.527 8.590 -5.149 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -6.878 6.467 -6.240 1.00 1.40 C ATOM 0 H LEU A 86 -9.087 5.309 -2.157 1.00 1.37 H new ATOM 0 HA LEU A 86 -9.171 7.952 -2.997 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -7.513 6.224 -3.626 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -8.729 5.378 -4.562 1.00 1.37 H new ATOM 0 HG LEU A 86 -8.897 7.248 -6.107 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -7.258 9.114 -6.066 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -8.328 9.130 -4.644 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -6.657 8.534 -4.494 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -6.605 7.049 -7.120 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -6.011 6.368 -5.587 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -7.214 5.477 -6.549 1.00 1.40 H new ATOM 1435 N PRO A 87 -11.731 6.348 -4.408 1.00 1.58 N ATOM 1436 CA PRO A 87 -13.030 6.668 -5.014 1.00 1.69 C ATOM 1437 C PRO A 87 -14.036 7.381 -4.085 1.00 1.71 C ATOM 1438 O PRO A 87 -15.001 7.947 -4.608 1.00 1.80 O ATOM 1439 CB PRO A 87 -13.592 5.331 -5.513 1.00 1.78 C ATOM 1440 CG PRO A 87 -12.961 4.305 -4.579 1.00 1.71 C ATOM 1441 CD PRO A 87 -11.576 4.894 -4.337 1.00 1.59 C ATOM 0 HA PRO A 87 -12.875 7.395 -5.812 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -14.680 5.308 -5.457 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -13.322 5.146 -6.553 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -13.525 4.198 -3.652 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -12.908 3.317 -5.036 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -11.189 4.591 -3.364 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -10.867 4.541 -5.086 1.00 1.59 H new ATOM 1449 N TYR A 88 -13.848 7.392 -2.754 1.00 1.63 N ATOM 1450 CA TYR A 88 -14.811 8.004 -1.818 1.00 1.66 C ATOM 1451 C TYR A 88 -14.333 9.325 -1.189 1.00 1.59 C ATOM 1452 O TYR A 88 -15.155 10.219 -1.002 1.00 1.64 O ATOM 1453 CB TYR A 88 -15.305 6.968 -0.788 1.00 1.68 C ATOM 1454 CG TYR A 88 -16.714 6.437 -1.051 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -17.145 6.126 -2.361 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -17.606 6.254 0.025 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -18.449 5.645 -2.588 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -18.915 5.782 -0.198 1.00 1.97 C ATOM 1459 CZ TYR A 88 -19.340 5.473 -1.507 1.00 2.05 C ATOM 1460 OH TYR A 88 -20.600 5.008 -1.736 1.00 2.17 O ATOM 0 H TYR A 88 -13.033 6.981 -2.299 1.00 1.63 H new ATOM 0 HA TYR A 88 -15.673 8.310 -2.411 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -14.610 6.128 -0.774 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -15.279 7.419 0.204 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -16.470 6.258 -3.193 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -17.283 6.478 1.031 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -18.768 5.407 -3.592 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -19.593 5.657 0.633 1.00 1.97 H new ATOM 0 HH TYR A 88 -21.085 4.946 -0.887 1.00 2.17 H new ATOM 1470 N GLU A 89 -13.028 9.567 -0.997 1.00 1.50 N ATOM 1471 CA GLU A 89 -12.520 10.915 -0.651 1.00 1.46 C ATOM 1472 C GLU A 89 -12.910 11.974 -1.713 1.00 1.53 C ATOM 1473 O GLU A 89 -12.900 13.173 -1.442 1.00 1.55 O ATOM 1474 CB GLU A 89 -10.999 10.923 -0.381 1.00 1.36 C ATOM 1475 CG GLU A 89 -10.111 10.686 -1.616 1.00 1.35 C ATOM 1476 CD GLU A 89 -8.633 11.019 -1.326 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -7.931 10.206 -0.679 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -8.163 12.100 -1.766 1.00 1.29 O ATOM 0 H GLU A 89 -12.303 8.854 -1.074 1.00 1.50 H new ATOM 0 HA GLU A 89 -13.009 11.193 0.283 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -10.730 11.882 0.061 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -10.774 10.156 0.360 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -10.195 9.646 -1.931 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -10.467 11.299 -2.444 1.00 1.35 H new ATOM 1485 N ARG A 90 -13.345 11.494 -2.889 1.00 1.61 N ATOM 1486 CA ARG A 90 -13.964 12.339 -3.919 1.00 1.71 C ATOM 1487 C ARG A 90 -15.123 13.210 -3.400 1.00 1.78 C ATOM 1488 O ARG A 90 -15.238 14.351 -3.846 1.00 1.83 O ATOM 1489 CB ARG A 90 -14.389 11.430 -5.088 1.00 1.78 C ATOM 1490 CG ARG A 90 -14.772 12.215 -6.350 1.00 1.89 C ATOM 1491 CD ARG A 90 -15.022 11.260 -7.523 1.00 1.97 C ATOM 1492 NE ARG A 90 -15.348 11.994 -8.759 1.00 2.08 N ATOM 1493 CZ ARG A 90 -15.425 11.493 -9.980 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -15.225 10.228 -10.227 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -15.707 12.263 -10.992 1.00 2.25 N ATOM 0 H ARG A 90 -13.277 10.511 -3.151 1.00 1.61 H new ATOM 0 HA ARG A 90 -13.227 13.067 -4.258 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -13.573 10.747 -5.325 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -15.236 10.819 -4.776 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -15.667 12.807 -6.159 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -13.976 12.914 -6.606 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -14.137 10.645 -7.687 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -15.840 10.583 -7.274 1.00 1.97 H new ATOM 0 HE ARG A 90 -15.533 12.992 -8.662 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -15.001 9.589 -9.465 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -15.293 9.878 -11.183 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -15.870 13.259 -10.845 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -15.765 11.870 -11.931 1.00 2.25 H new ATOM 1509 N PHE A 91 -15.933 12.752 -2.432 1.00 1.78 N ATOM 1510 CA PHE A 91 -16.943 13.624 -1.794 1.00 1.84 C ATOM 1511 C PHE A 91 -16.331 14.627 -0.797 1.00 1.78 C ATOM 1512 O PHE A 91 -16.852 15.731 -0.643 1.00 1.84 O ATOM 1513 CB PHE A 91 -18.105 12.821 -1.168 1.00 1.89 C ATOM 1514 CG PHE A 91 -17.817 12.002 0.084 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -17.604 12.631 1.330 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -17.814 10.594 0.021 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -17.292 11.865 2.468 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -17.492 9.833 1.155 1.00 1.76 C ATOM 1519 CZ PHE A 91 -17.200 10.470 2.369 1.00 1.70 C ATOM 0 H PHE A 91 -15.913 11.797 -2.075 1.00 1.78 H new ATOM 0 HA PHE A 91 -17.369 14.220 -2.601 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -18.906 13.522 -0.931 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -18.490 12.143 -1.929 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -17.681 13.705 1.410 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -18.061 10.098 -0.906 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -17.123 12.352 3.417 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -17.469 8.755 1.092 1.00 1.76 H new ATOM 0 HZ PHE A 91 -16.904 9.886 3.228 1.00 1.70 H new ATOM 1529 N ILE A 92 -15.197 14.292 -0.168 1.00 1.67 N ATOM 1530 CA ILE A 92 -14.527 15.196 0.790 1.00 1.62 C ATOM 1531 C ILE A 92 -13.824 16.328 0.029 1.00 1.64 C ATOM 1532 O ILE A 92 -13.904 17.496 0.400 1.00 1.69 O ATOM 1533 CB ILE A 92 -13.513 14.414 1.669 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -14.182 13.203 2.362 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -12.880 15.349 2.718 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -13.231 12.299 3.155 1.00 1.43 C ATOM 0 H ILE A 92 -14.720 13.401 -0.302 1.00 1.67 H new ATOM 0 HA ILE A 92 -15.279 15.628 1.451 1.00 1.62 H new ATOM 0 HB ILE A 92 -12.729 14.033 1.015 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -14.955 13.572 3.037 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -14.682 12.601 1.603 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -12.172 14.787 3.326 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -12.359 16.162 2.213 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -13.661 15.760 3.357 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -13.795 11.481 3.602 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -12.472 11.894 2.486 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -12.749 12.879 3.942 1.00 1.43 H new ATOM 1548 N LYS A 93 -13.185 15.972 -1.087 1.00 1.63 N ATOM 1549 CA LYS A 93 -12.335 16.890 -1.856 1.00 1.66 C ATOM 1550 C LYS A 93 -13.089 17.606 -2.988 1.00 1.78 C ATOM 1551 O LYS A 93 -12.531 18.482 -3.650 1.00 1.82 O ATOM 1552 CB LYS A 93 -11.161 16.041 -2.362 1.00 1.58 C ATOM 1553 CG LYS A 93 -9.922 16.859 -2.745 1.00 1.58 C ATOM 1554 CD LYS A 93 -8.680 15.961 -2.771 1.00 1.49 C ATOM 1555 CE LYS A 93 -8.770 14.874 -3.850 1.00 1.50 C ATOM 1556 NZ LYS A 93 -7.614 13.953 -3.766 1.00 1.41 N ATOM 0 H LYS A 93 -13.241 15.035 -1.487 1.00 1.63 H new ATOM 0 HA LYS A 93 -11.984 17.711 -1.231 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -10.886 15.323 -1.590 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -11.488 15.467 -3.229 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -10.068 17.317 -3.723 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -9.778 17.670 -2.031 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -7.796 16.573 -2.948 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -8.553 15.492 -1.795 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -9.697 14.313 -3.731 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -8.801 15.336 -4.837 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -7.553 13.391 -4.639 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -6.740 14.503 -3.647 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -7.736 13.316 -2.953 1.00 1.41 H new ATOM 1570 N GLY A 94 -14.364 17.250 -3.172 1.00 1.84 N ATOM 1571 CA GLY A 94 -15.226 17.851 -4.194 1.00 1.97 C ATOM 1572 C GLY A 94 -16.476 18.539 -3.633 1.00 2.05 C ATOM 1573 O GLY A 94 -17.054 19.371 -4.328 1.00 2.15 O ATOM 0 H GLY A 94 -14.829 16.534 -2.614 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -14.646 18.580 -4.760 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -15.535 17.076 -4.895 1.00 1.97 H new ATOM 1577 N GLU A 95 -16.881 18.244 -2.386 1.00 2.00 N ATOM 1578 CA GLU A 95 -18.113 18.782 -1.773 1.00 2.08 C ATOM 1579 C GLU A 95 -17.980 19.124 -0.271 1.00 2.02 C ATOM 1580 O GLU A 95 -18.977 19.207 0.452 1.00 2.07 O ATOM 1581 CB GLU A 95 -19.308 17.831 -2.027 1.00 2.13 C ATOM 1582 CG GLU A 95 -19.618 17.566 -3.507 1.00 2.21 C ATOM 1583 CD GLU A 95 -20.908 16.740 -3.660 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -22.012 17.332 -3.754 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -20.830 15.486 -3.704 1.00 2.26 O ATOM 0 H GLU A 95 -16.360 17.621 -1.768 1.00 2.00 H new ATOM 0 HA GLU A 95 -18.299 19.735 -2.267 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -19.107 16.879 -1.537 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -20.196 18.252 -1.554 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -19.723 18.513 -4.036 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -18.785 17.035 -3.968 1.00 2.21 H new ATOM 1592 N GLU A 96 -16.754 19.362 0.211 1.00 1.94 N ATOM 1593 CA GLU A 96 -16.493 19.819 1.590 1.00 1.90 C ATOM 1594 C GLU A 96 -15.207 20.659 1.757 1.00 1.87 C ATOM 1595 O GLU A 96 -15.248 21.721 2.381 1.00 1.92 O ATOM 1596 CB GLU A 96 -16.482 18.610 2.551 1.00 1.82 C ATOM 1597 CG GLU A 96 -16.504 19.041 4.022 1.00 1.81 C ATOM 1598 CD GLU A 96 -16.651 17.823 4.957 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -17.801 17.432 5.276 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -15.619 17.263 5.399 1.00 1.68 O ATOM 0 H GLU A 96 -15.907 19.243 -0.345 1.00 1.94 H new ATOM 0 HA GLU A 96 -17.310 20.495 1.841 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -17.346 17.977 2.346 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -15.593 18.007 2.364 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -15.586 19.577 4.260 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -17.330 19.733 4.189 1.00 1.81 H new ATOM 1607 N ASP A 97 -14.095 20.169 1.237 1.00 1.80 N ATOM 1608 CA ASP A 97 -12.831 20.878 1.350 1.00 1.78 C ATOM 1609 C ASP A 97 -11.895 20.465 0.228 1.00 1.87 C ATOM 1610 O ASP A 97 -12.215 19.579 -0.560 1.00 2.33 O ATOM 1611 CB ASP A 97 -12.184 20.590 2.710 1.00 1.78 C ATOM 1612 CG ASP A 97 -11.371 21.762 3.229 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -11.978 22.729 3.732 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -10.125 21.712 3.130 1.00 2.20 O ATOM 0 H ASP A 97 -14.041 19.284 0.733 1.00 1.80 H new ATOM 0 HA ASP A 97 -13.022 21.948 1.271 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -12.961 20.343 3.433 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -11.539 19.715 2.624 1.00 1.78 H new ATOM 1619 N LYS A 98 -10.744 21.113 0.156 1.00 1.90 N ATOM 1620 CA LYS A 98 -9.762 20.807 -0.869 1.00 2.13 C ATOM 1621 C LYS A 98 -8.370 21.231 -0.407 1.00 2.94 C ATOM 1622 O LYS A 98 -7.870 22.292 -0.787 1.00 3.42 O ATOM 1623 CB LYS A 98 -10.144 21.499 -2.179 1.00 2.05 C ATOM 1624 CG LYS A 98 -9.324 21.052 -3.376 1.00 2.30 C ATOM 1625 CD LYS A 98 -9.938 21.543 -4.677 1.00 2.83 C ATOM 1626 CE LYS A 98 -8.946 21.468 -5.824 1.00 3.09 C ATOM 1627 NZ LYS A 98 -7.834 22.442 -5.657 1.00 3.68 N ATOM 0 H LYS A 98 -10.467 21.856 0.797 1.00 1.90 H new ATOM 0 HA LYS A 98 -9.746 19.731 -1.043 1.00 2.13 H new ATOM 0 HB2 LYS A 98 -11.198 21.311 -2.383 1.00 2.05 H new ATOM 0 HB3 LYS A 98 -10.030 22.576 -2.056 1.00 2.05 H new ATOM 0 HG2 LYS A 98 -8.306 21.432 -3.285 1.00 2.30 H new ATOM 0 HG3 LYS A 98 -9.259 19.964 -3.389 1.00 2.30 H new ATOM 0 HD2 LYS A 98 -10.817 20.943 -4.915 1.00 2.83 H new ATOM 0 HD3 LYS A 98 -10.277 22.572 -4.555 1.00 2.83 H new ATOM 0 HE2 LYS A 98 -8.539 20.459 -5.887 1.00 3.09 H new ATOM 0 HE3 LYS A 98 -9.462 21.663 -6.764 1.00 3.09 H new ATOM 0 HZ1 LYS A 98 -7.614 22.878 -6.575 1.00 3.68 H new ATOM 0 HZ2 LYS A 98 -8.118 23.180 -4.982 1.00 3.68 H new ATOM 0 HZ3 LYS A 98 -6.992 21.949 -5.297 1.00 3.68 H new ATOM 1641 N PRO A 99 -7.734 20.404 0.443 1.00 3.57 N ATOM 1642 CA PRO A 99 -6.401 20.684 0.976 1.00 4.60 C ATOM 1643 C PRO A 99 -5.284 20.217 0.045 1.00 4.87 C ATOM 1644 O PRO A 99 -4.107 20.465 0.300 1.00 5.78 O ATOM 1645 CB PRO A 99 -6.396 19.879 2.273 1.00 5.30 C ATOM 1646 CG PRO A 99 -7.232 18.680 1.968 1.00 4.88 C ATOM 1647 CD PRO A 99 -8.270 19.128 0.964 1.00 3.76 C ATOM 0 HA PRO A 99 -6.217 21.751 1.105 1.00 4.60 H new ATOM 0 HB2 PRO A 99 -5.384 19.595 2.561 1.00 5.30 H new ATOM 0 HB3 PRO A 99 -6.813 20.454 3.100 1.00 5.30 H new ATOM 0 HG2 PRO A 99 -6.621 17.874 1.562 1.00 4.88 H new ATOM 0 HG3 PRO A 99 -7.706 18.297 2.872 1.00 4.88 H new ATOM 0 HD2 PRO A 99 -8.399 18.394 0.168 1.00 3.76 H new ATOM 0 HD3 PRO A 99 -9.245 19.266 1.432 1.00 3.76 H new ATOM 1655 N LEU A 100 -5.665 19.541 -1.036 1.00 4.16 N ATOM 1656 CA LEU A 100 -4.699 19.034 -2.002 1.00 4.45 C ATOM 1657 C LEU A 100 -4.919 19.669 -3.371 1.00 4.49 C ATOM 1658 O LEU A 100 -5.954 19.453 -4.004 1.00 4.18 O ATOM 1659 CB LEU A 100 -4.812 17.512 -2.113 1.00 4.19 C ATOM 1660 CG LEU A 100 -4.590 16.742 -0.811 1.00 4.60 C ATOM 1661 CD1 LEU A 100 -4.983 15.283 -0.979 1.00 4.86 C ATOM 1662 CD2 LEU A 100 -3.142 16.856 -0.365 1.00 4.95 C ATOM 0 H LEU A 100 -6.637 19.332 -1.264 1.00 4.16 H new ATOM 0 HA LEU A 100 -3.700 19.295 -1.653 1.00 4.45 H new ATOM 0 HB2 LEU A 100 -5.802 17.265 -2.497 1.00 4.19 H new ATOM 0 HB3 LEU A 100 -4.088 17.163 -2.850 1.00 4.19 H new ATOM 0 HG LEU A 100 -5.223 17.181 -0.040 1.00 4.60 H new ATOM 0 HD11 LEU A 100 -4.818 14.751 -0.042 1.00 4.86 H new ATOM 0 HD12 LEU A 100 -6.036 15.219 -1.252 1.00 4.86 H new ATOM 0 HD13 LEU A 100 -4.377 14.831 -1.764 1.00 4.86 H new ATOM 0 HD21 LEU A 100 -3.002 16.302 0.563 1.00 4.95 H new ATOM 0 HD22 LEU A 100 -2.490 16.443 -1.135 1.00 4.95 H new ATOM 0 HD23 LEU A 100 -2.893 17.905 -0.203 1.00 4.95 H new ATOM 1674 N PRO A 101 -3.944 20.467 -3.845 1.00 5.19 N ATOM 1675 CA PRO A 101 -4.028 21.135 -5.148 1.00 5.67 C ATOM 1676 C PRO A 101 -3.784 20.169 -6.309 1.00 5.64 C ATOM 1677 O PRO A 101 -3.139 19.133 -6.134 1.00 5.32 O ATOM 1678 CB PRO A 101 -2.919 22.185 -5.068 1.00 6.54 C ATOM 1679 CG PRO A 101 -1.907 21.587 -4.155 1.00 6.50 C ATOM 1680 CD PRO A 101 -2.683 20.784 -3.143 1.00 5.81 C ATOM 0 HA PRO A 101 -5.016 21.555 -5.339 1.00 5.67 H new ATOM 0 HB2 PRO A 101 -2.495 22.391 -6.051 1.00 6.54 H new ATOM 0 HB3 PRO A 101 -3.295 23.131 -4.679 1.00 6.54 H new ATOM 0 HG2 PRO A 101 -1.211 20.953 -4.705 1.00 6.50 H new ATOM 0 HG3 PRO A 101 -1.315 22.362 -3.667 1.00 6.50 H new ATOM 0 HD2 PRO A 101 -2.148 19.880 -2.852 1.00 5.81 H new ATOM 0 HD3 PRO A 101 -2.864 21.354 -2.232 1.00 5.81 H new ATOM 1688 N PRO A 102 -4.297 20.495 -7.511 1.00 6.15 N ATOM 1689 CA PRO A 102 -4.139 19.647 -8.704 1.00 6.45 C ATOM 1690 C PRO A 102 -2.705 19.600 -9.232 1.00 6.96 C ATOM 1691 O PRO A 102 -2.381 18.779 -10.091 1.00 7.31 O ATOM 1692 CB PRO A 102 -5.056 20.308 -9.736 1.00 7.14 C ATOM 1693 CG PRO A 102 -5.160 21.730 -9.301 1.00 7.42 C ATOM 1694 CD PRO A 102 -5.083 21.710 -7.800 1.00 6.66 C ATOM 0 HA PRO A 102 -4.385 18.609 -8.482 1.00 6.45 H new ATOM 0 HB2 PRO A 102 -4.640 20.232 -10.741 1.00 7.14 H new ATOM 0 HB3 PRO A 102 -6.035 19.829 -9.759 1.00 7.14 H new ATOM 0 HG2 PRO A 102 -4.353 22.328 -9.725 1.00 7.42 H new ATOM 0 HG3 PRO A 102 -6.097 22.174 -9.638 1.00 7.42 H new ATOM 0 HD2 PRO A 102 -4.596 22.605 -7.411 1.00 6.66 H new ATOM 0 HD3 PRO A 102 -6.074 21.664 -7.348 1.00 6.66 H new ATOM 1702 N ILE A 103 -1.849 20.477 -8.714 1.00 7.14 N ATOM 1703 CA ILE A 103 -0.460 20.534 -9.151 1.00 7.71 C ATOM 1704 C ILE A 103 0.470 19.808 -8.168 1.00 7.31 C ATOM 1705 O ILE A 103 0.974 20.394 -7.206 1.00 7.64 O ATOM 1706 CB ILE A 103 -0.002 22.003 -9.372 1.00 8.28 C ATOM 1707 CG1 ILE A 103 1.502 22.081 -9.674 1.00 9.04 C ATOM 1708 CG2 ILE A 103 -0.355 22.877 -8.173 1.00 8.23 C ATOM 1709 CD1 ILE A 103 1.891 21.475 -11.005 1.00 9.66 C ATOM 0 H ILE A 103 -2.094 21.156 -7.993 1.00 7.14 H new ATOM 0 HA ILE A 103 -0.397 20.015 -10.107 1.00 7.71 H new ATOM 0 HB ILE A 103 -0.540 22.384 -10.240 1.00 8.28 H new ATOM 0 HG12 ILE A 103 1.813 23.126 -9.657 1.00 9.04 H new ATOM 0 HG13 ILE A 103 2.049 21.572 -8.880 1.00 9.04 H new ATOM 0 HG21 ILE A 103 -0.022 23.899 -8.357 1.00 8.23 H new ATOM 0 HG22 ILE A 103 -1.434 22.869 -8.022 1.00 8.23 H new ATOM 0 HG23 ILE A 103 0.139 22.489 -7.282 1.00 8.23 H new ATOM 0 HD11 ILE A 103 2.968 21.568 -11.146 1.00 9.66 H new ATOM 0 HD12 ILE A 103 1.613 20.421 -11.020 1.00 9.66 H new ATOM 0 HD13 ILE A 103 1.373 21.999 -11.808 1.00 9.66 H new ATOM 1721 N LYS A 104 0.674 18.512 -8.414 1.00 6.73 N ATOM 1722 CA LYS A 104 1.555 17.695 -7.578 1.00 6.37 C ATOM 1723 C LYS A 104 1.830 16.331 -8.218 1.00 5.89 C ATOM 1724 O LYS A 104 1.389 15.297 -7.712 1.00 5.68 O ATOM 1725 CB LYS A 104 0.960 17.504 -6.178 1.00 6.44 C ATOM 1726 CG LYS A 104 1.989 17.101 -5.129 1.00 6.74 C ATOM 1727 CD LYS A 104 3.071 18.160 -4.975 1.00 7.08 C ATOM 1728 CE LYS A 104 3.908 17.930 -3.727 1.00 7.57 C ATOM 1729 NZ LYS A 104 3.125 18.168 -2.484 1.00 8.00 N ATOM 0 H LYS A 104 0.240 18.006 -9.186 1.00 6.73 H new ATOM 0 HA LYS A 104 2.501 18.229 -7.489 1.00 6.37 H new ATOM 0 HB2 LYS A 104 0.480 18.432 -5.867 1.00 6.44 H new ATOM 0 HB3 LYS A 104 0.182 16.742 -6.224 1.00 6.44 H new ATOM 0 HG2 LYS A 104 1.492 16.945 -4.171 1.00 6.74 H new ATOM 0 HG3 LYS A 104 2.445 16.152 -5.410 1.00 6.74 H new ATOM 0 HD2 LYS A 104 3.717 18.151 -5.853 1.00 7.08 H new ATOM 0 HD3 LYS A 104 2.611 19.147 -4.928 1.00 7.08 H new ATOM 0 HE2 LYS A 104 4.288 16.908 -3.727 1.00 7.57 H new ATOM 0 HE3 LYS A 104 4.774 18.592 -3.743 1.00 7.57 H new ATOM 0 HZ1 LYS A 104 3.776 18.303 -1.684 1.00 8.00 H new ATOM 0 HZ2 LYS A 104 2.539 19.019 -2.601 1.00 8.00 H new ATOM 0 HZ3 LYS A 104 2.512 17.349 -2.297 1.00 8.00 H new ATOM 1743 N PRO A 105 2.551 16.312 -9.358 1.00 5.95 N ATOM 1744 CA PRO A 105 2.900 15.067 -10.045 1.00 5.79 C ATOM 1745 C PRO A 105 4.092 14.368 -9.390 1.00 5.46 C ATOM 1746 O PRO A 105 4.016 13.192 -9.030 1.00 5.28 O ATOM 1747 CB PRO A 105 3.244 15.534 -11.461 1.00 6.33 C ATOM 1748 CG PRO A 105 3.716 16.946 -11.310 1.00 6.61 C ATOM 1749 CD PRO A 105 3.056 17.502 -10.071 1.00 6.47 C ATOM 0 HA PRO A 105 2.095 14.333 -10.016 1.00 5.79 H new ATOM 0 HB2 PRO A 105 4.017 14.907 -11.905 1.00 6.33 H new ATOM 0 HB3 PRO A 105 2.374 15.478 -12.115 1.00 6.33 H new ATOM 0 HG2 PRO A 105 4.802 16.982 -11.218 1.00 6.61 H new ATOM 0 HG3 PRO A 105 3.451 17.537 -12.187 1.00 6.61 H new ATOM 0 HD2 PRO A 105 3.765 18.060 -9.460 1.00 6.47 H new ATOM 0 HD3 PRO A 105 2.246 18.186 -10.325 1.00 6.47 H new ATOM 1757 N ARG A 106 5.188 15.109 -9.237 1.00 5.56 N ATOM 1758 CA ARG A 106 6.404 14.597 -8.616 1.00 5.43 C ATOM 1759 C ARG A 106 7.242 15.751 -8.077 1.00 5.72 C ATOM 1760 O ARG A 106 6.968 16.916 -8.373 1.00 6.01 O ATOM 1761 CB ARG A 106 7.233 13.786 -9.617 1.00 5.69 C ATOM 1762 CG ARG A 106 7.284 12.298 -9.306 1.00 6.20 C ATOM 1763 CD ARG A 106 8.651 11.707 -9.620 1.00 6.57 C ATOM 1764 NE ARG A 106 9.608 11.927 -8.534 1.00 6.84 N ATOM 1765 CZ ARG A 106 10.778 11.293 -8.432 1.00 7.39 C ATOM 1766 NH1 ARG A 106 11.147 10.418 -9.359 1.00 7.71 N ATOM 1767 NH2 ARG A 106 11.582 11.540 -7.406 1.00 7.84 N ATOM 0 H ARG A 106 5.256 16.080 -9.540 1.00 5.56 H new ATOM 0 HA ARG A 106 6.113 13.942 -7.795 1.00 5.43 H new ATOM 0 HB2 ARG A 106 6.819 13.925 -10.615 1.00 5.69 H new ATOM 0 HB3 ARG A 106 8.249 14.179 -9.636 1.00 5.69 H new ATOM 0 HG2 ARG A 106 7.051 12.137 -8.253 1.00 6.20 H new ATOM 0 HG3 ARG A 106 6.520 11.778 -9.885 1.00 6.20 H new ATOM 0 HD2 ARG A 106 8.550 10.637 -9.802 1.00 6.57 H new ATOM 0 HD3 ARG A 106 9.036 12.152 -10.538 1.00 6.57 H new ATOM 0 HE ARG A 106 9.366 12.606 -7.812 1.00 6.84 H new ATOM 0 HH11 ARG A 106 10.536 10.228 -10.153 1.00 7.71 H new ATOM 0 HH12 ARG A 106 12.042 9.936 -9.277 1.00 7.71 H new ATOM 0 HH21 ARG A 106 11.306 12.216 -6.693 1.00 7.84 H new ATOM 0 HH22 ARG A 106 12.476 11.054 -7.330 1.00 7.84 H new ATOM 1781 N LYS A 107 8.262 15.425 -7.289 1.00 5.92 N ATOM 1782 CA LYS A 107 9.141 16.438 -6.716 1.00 6.42 C ATOM 1783 C LYS A 107 10.476 15.824 -6.304 1.00 6.87 C ATOM 1784 O LYS A 107 10.540 15.221 -5.211 1.00 7.06 O ATOM 1785 CB LYS A 107 8.476 17.109 -5.510 1.00 6.74 C ATOM 1786 CG LYS A 107 9.115 18.434 -5.120 1.00 7.12 C ATOM 1787 CD LYS A 107 8.516 18.992 -3.837 1.00 7.73 C ATOM 1788 CE LYS A 107 9.366 18.647 -2.622 1.00 8.18 C ATOM 1789 NZ LYS A 107 9.554 17.178 -2.467 1.00 8.47 N ATOM 1790 OXT LYS A 107 11.446 15.949 -7.080 1.00 7.27 O ATOM 0 H LYS A 107 8.500 14.467 -7.033 1.00 5.92 H new ATOM 0 HA LYS A 107 9.327 17.194 -7.479 1.00 6.42 H new ATOM 0 HB2 LYS A 107 7.422 17.275 -5.733 1.00 6.74 H new ATOM 0 HB3 LYS A 107 8.518 16.430 -4.658 1.00 6.74 H new ATOM 0 HG2 LYS A 107 10.188 18.296 -4.990 1.00 7.12 H new ATOM 0 HG3 LYS A 107 8.981 19.154 -5.927 1.00 7.12 H new ATOM 0 HD2 LYS A 107 8.422 20.075 -3.920 1.00 7.73 H new ATOM 0 HD3 LYS A 107 7.510 18.595 -3.702 1.00 7.73 H new ATOM 0 HE2 LYS A 107 10.340 19.129 -2.713 1.00 8.18 H new ATOM 0 HE3 LYS A 107 8.894 19.048 -1.725 1.00 8.18 H new ATOM 0 HZ1 LYS A 107 10.124 16.989 -1.618 1.00 8.47 H new ATOM 0 HZ2 LYS A 107 8.626 16.718 -2.371 1.00 8.47 H new ATOM 0 HZ3 LYS A 107 10.043 16.800 -3.304 1.00 8.47 H new TER 1804 LYS A 107 ATOM 1805 OP3 DT B 1 -6.633 -28.852 -6.614 1.00 2.61 O ATOM 1806 P DT B 1 -6.261 -27.321 -6.390 1.00 2.20 P ATOM 1807 OP1 DT B 1 -6.296 -27.039 -4.932 1.00 2.80 O ATOM 1808 OP2 DT B 1 -5.024 -27.034 -7.162 1.00 2.56 O ATOM 1809 O5' DT B 1 -7.472 -26.539 -7.066 1.00 2.08 O ATOM 1810 C5' DT B 1 -8.135 -27.061 -8.218 1.00 2.25 C ATOM 1811 C4' DT B 1 -8.647 -25.932 -9.085 1.00 2.22 C ATOM 1812 O4' DT B 1 -9.755 -25.300 -8.390 1.00 2.06 O ATOM 1813 C3' DT B 1 -7.600 -24.829 -9.264 1.00 2.18 C ATOM 1814 O3' DT B 1 -7.816 -24.010 -10.427 1.00 2.29 O ATOM 1815 C2' DT B 1 -7.835 -23.950 -8.054 1.00 1.96 C ATOM 1816 C1' DT B 1 -9.343 -24.034 -7.893 1.00 1.91 C ATOM 1817 N1 DT B 1 -9.830 -23.829 -6.510 1.00 1.72 N ATOM 1818 C2 DT B 1 -10.398 -22.593 -6.270 1.00 1.61 C ATOM 1819 O2 DT B 1 -10.554 -21.753 -7.141 1.00 1.71 O ATOM 1820 N3 DT B 1 -10.775 -22.373 -4.978 1.00 1.49 N ATOM 1821 C4 DT B 1 -10.663 -23.235 -3.915 1.00 1.49 C ATOM 1822 O4 DT B 1 -10.986 -22.847 -2.788 1.00 1.48 O ATOM 1823 C5 DT B 1 -10.086 -24.537 -4.236 1.00 1.64 C ATOM 1824 C7 DT B 1 -9.892 -25.533 -3.137 1.00 1.78 C ATOM 1825 C6 DT B 1 -9.707 -24.770 -5.509 1.00 1.74 C ATOM 0 H5' DT B 1 -8.965 -27.698 -7.911 1.00 2.25 H new ATOM 0 H5'' DT B 1 -7.448 -27.685 -8.790 1.00 2.25 H new ATOM 0 H4' DT B 1 -8.916 -26.356 -10.053 1.00 2.22 H new ATOM 0 H3' DT B 1 -6.605 -25.261 -9.372 1.00 2.18 H new ATOM 0 H2' DT B 1 -7.309 -24.319 -7.173 1.00 1.96 H new ATOM 0 H2'' DT B 1 -7.499 -22.927 -8.221 1.00 1.96 H new ATOM 0 H1' DT B 1 -9.784 -23.212 -8.457 1.00 1.91 H new ATOM 0 H3 DT B 1 -11.188 -21.462 -4.778 1.00 1.49 H new ATOM 0 H71 DT B 1 -9.977 -26.542 -3.541 1.00 1.78 H new ATOM 0 H72 DT B 1 -8.904 -25.401 -2.696 1.00 1.78 H new ATOM 0 H73 DT B 1 -10.653 -25.383 -2.372 1.00 1.78 H new ATOM 0 H6 DT B 1 -9.289 -25.735 -5.755 1.00 1.74 H new ATOM 1839 P DA B 2 -6.790 -22.793 -10.722 1.00 2.27 P ATOM 1840 OP1 DA B 2 -6.757 -22.371 -12.138 1.00 2.47 O ATOM 1841 OP2 DA B 2 -5.497 -23.227 -10.142 1.00 2.19 O ATOM 1842 O5' DA B 2 -7.412 -21.632 -9.823 1.00 2.12 O ATOM 1843 C5' DA B 2 -8.822 -21.324 -9.954 1.00 2.18 C ATOM 1844 C4' DA B 2 -9.045 -19.843 -9.750 1.00 2.16 C ATOM 1845 O4' DA B 2 -9.069 -19.570 -8.313 1.00 1.98 O ATOM 1846 C3' DA B 2 -7.960 -18.915 -10.291 1.00 2.19 C ATOM 1847 O3' DA B 2 -8.456 -17.603 -10.550 1.00 2.28 O ATOM 1848 C2' DA B 2 -6.962 -18.856 -9.147 1.00 1.97 C ATOM 1849 C1' DA B 2 -7.871 -18.924 -7.928 1.00 1.86 C ATOM 1850 N9 DA B 2 -7.290 -19.686 -6.789 1.00 1.69 N ATOM 1851 C8 DA B 2 -6.525 -20.820 -6.830 1.00 1.68 C ATOM 1852 N7 DA B 2 -6.172 -21.251 -5.657 1.00 1.57 N ATOM 1853 C5 DA B 2 -6.731 -20.334 -4.783 1.00 1.48 C ATOM 1854 C6 DA B 2 -6.723 -20.232 -3.377 1.00 1.40 C ATOM 1855 N6 DA B 2 -6.086 -21.109 -2.583 1.00 1.38 N ATOM 1856 N1 DA B 2 -7.387 -19.204 -2.828 1.00 1.40 N ATOM 1857 C2 DA B 2 -8.011 -18.343 -3.626 1.00 1.49 C ATOM 1858 N3 DA B 2 -8.100 -18.331 -4.938 1.00 1.58 N ATOM 1859 C4 DA B 2 -7.427 -19.373 -5.459 1.00 1.56 C ATOM 0 H5' DA B 2 -9.397 -21.892 -9.222 1.00 2.18 H new ATOM 0 H5'' DA B 2 -9.178 -21.622 -10.940 1.00 2.18 H new ATOM 0 H4' DA B 2 -9.969 -19.640 -10.291 1.00 2.16 H new ATOM 0 H3' DA B 2 -7.550 -19.273 -11.236 1.00 2.19 H new ATOM 0 H2' DA B 2 -6.258 -19.687 -9.177 1.00 1.97 H new ATOM 0 H2'' DA B 2 -6.374 -17.939 -9.166 1.00 1.97 H new ATOM 0 H1' DA B 2 -8.027 -17.900 -7.587 1.00 1.86 H new ATOM 0 H8 DA B 2 -6.242 -21.310 -7.750 1.00 1.68 H new ATOM 0 H61 DA B 2 -6.110 -20.991 -1.570 1.00 1.38 H new ATOM 0 H62 DA B 2 -5.578 -21.893 -2.993 1.00 1.38 H new ATOM 0 H2 DA B 2 -8.520 -17.534 -3.123 1.00 1.49 H new ATOM 1871 P DC B 3 -7.447 -16.368 -10.532 1.00 2.25 P ATOM 1872 OP1 DC B 3 -7.900 -15.340 -11.490 1.00 2.46 O ATOM 1873 OP2 DC B 3 -6.063 -16.864 -10.722 1.00 2.18 O ATOM 1874 O5' DC B 3 -7.621 -15.837 -9.039 1.00 2.07 O ATOM 1875 C5' DC B 3 -8.960 -15.670 -8.508 1.00 2.12 C ATOM 1876 C4' DC B 3 -8.993 -14.490 -7.565 1.00 2.08 C ATOM 1877 O4' DC B 3 -8.478 -14.916 -6.265 1.00 1.87 O ATOM 1878 C3' DC B 3 -8.122 -13.295 -7.944 1.00 2.12 C ATOM 1879 O3' DC B 3 -8.589 -12.081 -7.360 1.00 2.20 O ATOM 1880 C2' DC B 3 -6.775 -13.653 -7.339 1.00 1.90 C ATOM 1881 C1' DC B 3 -7.181 -14.385 -6.067 1.00 1.76 C ATOM 1882 N1 DC B 3 -6.279 -15.512 -5.708 1.00 1.58 N ATOM 1883 C2 DC B 3 -6.006 -15.722 -4.358 1.00 1.43 C ATOM 1884 O2 DC B 3 -6.515 -14.966 -3.519 1.00 1.46 O ATOM 1885 N3 DC B 3 -5.183 -16.744 -4.010 1.00 1.31 N ATOM 1886 C4 DC B 3 -4.649 -17.542 -4.943 1.00 1.34 C ATOM 1887 N4 DC B 3 -3.857 -18.525 -4.546 1.00 1.29 N ATOM 1888 C5 DC B 3 -4.910 -17.342 -6.334 1.00 1.50 C ATOM 1889 C6 DC B 3 -5.739 -16.314 -6.659 1.00 1.61 C ATOM 0 H5' DC B 3 -9.269 -16.575 -7.984 1.00 2.12 H new ATOM 0 H5'' DC B 3 -9.668 -15.516 -9.323 1.00 2.12 H new ATOM 0 H4' DC B 3 -10.035 -14.171 -7.584 1.00 2.08 H new ATOM 0 H3' DC B 3 -8.110 -13.125 -9.021 1.00 2.12 H new ATOM 0 H2' DC B 3 -6.185 -14.285 -8.003 1.00 1.90 H new ATOM 0 H2'' DC B 3 -6.176 -12.768 -7.126 1.00 1.90 H new ATOM 0 H1' DC B 3 -7.133 -13.662 -5.253 1.00 1.76 H new ATOM 0 H41 DC B 3 -3.435 -19.150 -5.233 1.00 1.29 H new ATOM 0 H42 DC B 3 -3.668 -18.658 -3.553 1.00 1.29 H new ATOM 0 H5 DC B 3 -4.471 -17.976 -7.090 1.00 1.50 H new ATOM 0 H6 DC B 3 -5.973 -16.132 -7.698 1.00 1.61 H new ATOM 1901 P DA B 4 -7.564 -10.885 -7.116 1.00 2.17 P ATOM 1902 OP1 DA B 4 -8.266 -9.592 -7.249 1.00 2.39 O ATOM 1903 OP2 DA B 4 -6.380 -11.071 -7.987 1.00 2.13 O ATOM 1904 O5' DA B 4 -7.149 -11.129 -5.596 1.00 1.97 O ATOM 1905 C5' DA B 4 -8.191 -11.385 -4.621 1.00 2.00 C ATOM 1906 C4' DA B 4 -7.802 -10.788 -3.289 1.00 1.94 C ATOM 1907 O4' DA B 4 -6.877 -11.701 -2.617 1.00 1.72 O ATOM 1908 C3' DA B 4 -7.050 -9.459 -3.335 1.00 1.99 C ATOM 1909 O3' DA B 4 -7.194 -8.716 -2.128 1.00 2.06 O ATOM 1910 C2' DA B 4 -5.602 -9.895 -3.486 1.00 1.77 C ATOM 1911 C1' DA B 4 -5.567 -11.172 -2.658 1.00 1.61 C ATOM 1912 N9 DA B 4 -4.672 -12.223 -3.216 1.00 1.44 N ATOM 1913 C8 DA B 4 -4.454 -12.544 -4.528 1.00 1.47 C ATOM 1914 N7 DA B 4 -3.613 -13.519 -4.694 1.00 1.33 N ATOM 1915 C5 DA B 4 -3.240 -13.856 -3.403 1.00 1.19 C ATOM 1916 C6 DA B 4 -2.359 -14.832 -2.893 1.00 1.06 C ATOM 1917 N6 DA B 4 -1.662 -15.673 -3.676 1.00 1.05 N ATOM 1918 N1 DA B 4 -2.225 -14.906 -1.560 1.00 1.02 N ATOM 1919 C2 DA B 4 -2.920 -14.069 -0.797 1.00 1.11 C ATOM 1920 N3 DA B 4 -3.769 -13.128 -1.146 1.00 1.24 N ATOM 1921 C4 DA B 4 -3.884 -13.078 -2.486 1.00 1.26 C ATOM 0 H5' DA B 4 -8.349 -12.458 -4.517 1.00 2.00 H new ATOM 0 H5'' DA B 4 -9.134 -10.956 -4.961 1.00 2.00 H new ATOM 0 H4' DA B 4 -8.757 -10.624 -2.790 1.00 1.94 H new ATOM 0 H3' DA B 4 -7.417 -8.810 -4.130 1.00 1.99 H new ATOM 0 H2' DA B 4 -5.337 -10.077 -4.528 1.00 1.77 H new ATOM 0 H2'' DA B 4 -4.908 -9.144 -3.107 1.00 1.77 H new ATOM 0 H1' DA B 4 -5.181 -10.905 -1.674 1.00 1.61 H new ATOM 0 H8 DA B 4 -4.936 -12.034 -5.349 1.00 1.47 H new ATOM 0 H61 DA B 4 -1.037 -16.361 -3.256 1.00 1.05 H new ATOM 0 H62 DA B 4 -1.758 -15.623 -4.690 1.00 1.05 H new ATOM 0 H2 DA B 4 -2.764 -14.178 0.266 1.00 1.11 H new ATOM 1933 P DA B 5 -6.073 -7.657 -1.724 1.00 2.04 P ATOM 1934 OP1 DA B 5 -6.688 -6.542 -0.975 1.00 2.25 O ATOM 1935 OP2 DA B 5 -5.298 -7.278 -2.930 1.00 2.01 O ATOM 1936 O5' DA B 5 -5.152 -8.523 -0.752 1.00 1.83 O ATOM 1937 C5' DA B 5 -5.782 -9.323 0.279 1.00 1.84 C ATOM 1938 C4' DA B 5 -4.898 -9.365 1.505 1.00 1.79 C ATOM 1939 O4' DA B 5 -3.855 -10.370 1.294 1.00 1.56 O ATOM 1940 C3' DA B 5 -4.129 -8.087 1.832 1.00 1.85 C ATOM 1941 O3' DA B 5 -3.774 -8.009 3.210 1.00 1.93 O ATOM 1942 C2' DA B 5 -2.867 -8.230 0.999 1.00 1.64 C ATOM 1943 C1' DA B 5 -2.617 -9.732 1.051 1.00 1.47 C ATOM 1944 N9 DA B 5 -2.057 -10.292 -0.207 1.00 1.29 N ATOM 1945 C8 DA B 5 -2.352 -9.943 -1.496 1.00 1.33 C ATOM 1946 N7 DA B 5 -1.694 -10.626 -2.385 1.00 1.20 N ATOM 1947 C5 DA B 5 -0.901 -11.472 -1.631 1.00 1.03 C ATOM 1948 C6 DA B 5 0.039 -12.462 -1.986 1.00 0.89 C ATOM 1949 N6 DA B 5 0.347 -12.757 -3.260 1.00 0.91 N ATOM 1950 N1 DA B 5 0.641 -13.127 -0.990 1.00 0.84 N ATOM 1951 C2 DA B 5 0.328 -12.826 0.268 1.00 0.93 C ATOM 1952 N3 DA B 5 -0.526 -11.938 0.726 1.00 1.07 N ATOM 1953 C4 DA B 5 -1.116 -11.290 -0.296 1.00 1.10 C ATOM 0 H5' DA B 5 -5.958 -10.334 -0.089 1.00 1.84 H new ATOM 0 H5'' DA B 5 -6.755 -8.903 0.535 1.00 1.84 H new ATOM 0 H4' DA B 5 -5.594 -9.561 2.321 1.00 1.79 H new ATOM 0 H3' DA B 5 -4.717 -7.193 1.624 1.00 1.85 H new ATOM 0 H2' DA B 5 -3.010 -7.876 -0.022 1.00 1.64 H new ATOM 0 H2'' DA B 5 -2.036 -7.664 1.419 1.00 1.64 H new ATOM 0 H1' DA B 5 -1.882 -9.907 1.837 1.00 1.47 H new ATOM 0 H8 DA B 5 -3.064 -9.173 -1.751 1.00 1.33 H new ATOM 0 H61 DA B 5 1.034 -13.482 -3.464 1.00 0.91 H new ATOM 0 H62 DA B 5 -0.107 -12.255 -4.024 1.00 0.91 H new ATOM 0 H2 DA B 5 0.852 -13.394 1.022 1.00 0.93 H new ATOM 1965 P DT B 6 -2.516 -7.132 3.646 1.00 1.92 P ATOM 1966 OP1 DT B 6 -2.743 -6.570 4.993 1.00 2.14 O ATOM 1967 OP2 DT B 6 -2.210 -6.150 2.576 1.00 1.89 O ATOM 1968 O5' DT B 6 -1.364 -8.233 3.701 1.00 1.71 O ATOM 1969 C5' DT B 6 -1.629 -9.487 4.378 1.00 1.72 C ATOM 1970 C4' DT B 6 -0.366 -9.987 5.042 1.00 1.68 C ATOM 1971 O4' DT B 6 0.459 -10.650 4.033 1.00 1.45 O ATOM 1972 C3' DT B 6 0.551 -8.923 5.639 1.00 1.76 C ATOM 1973 O3' DT B 6 1.386 -9.450 6.669 1.00 1.86 O ATOM 1974 C2' DT B 6 1.414 -8.515 4.456 1.00 1.55 C ATOM 1975 C1' DT B 6 1.565 -9.831 3.704 1.00 1.36 C ATOM 1976 N1 DT B 6 1.594 -9.677 2.225 1.00 1.16 N ATOM 1977 C2 DT B 6 2.448 -10.497 1.520 1.00 0.98 C ATOM 1978 O2 DT B 6 3.161 -11.324 2.060 1.00 0.99 O ATOM 1979 N3 DT B 6 2.440 -10.321 0.152 1.00 0.85 N ATOM 1980 C4 DT B 6 1.680 -9.419 -0.556 1.00 0.93 C ATOM 1981 O4 DT B 6 1.758 -9.353 -1.789 1.00 0.91 O ATOM 1982 C5 DT B 6 0.819 -8.600 0.263 1.00 1.14 C ATOM 1983 C7 DT B 6 -0.036 -7.609 -0.466 1.00 1.31 C ATOM 1984 C6 DT B 6 0.795 -8.748 1.603 1.00 1.23 C ATOM 0 H5' DT B 6 -1.993 -10.226 3.664 1.00 1.72 H new ATOM 0 H5'' DT B 6 -2.413 -9.350 5.123 1.00 1.72 H new ATOM 0 H4' DT B 6 -0.728 -10.618 5.853 1.00 1.68 H new ATOM 0 H3' DT B 6 -0.012 -8.109 6.095 1.00 1.76 H new ATOM 0 H2' DT B 6 0.934 -7.749 3.846 1.00 1.55 H new ATOM 0 H2'' DT B 6 2.377 -8.113 4.773 1.00 1.55 H new ATOM 0 H1' DT B 6 2.521 -10.262 4.002 1.00 1.36 H new ATOM 0 H3 DT B 6 3.061 -10.921 -0.390 1.00 0.85 H new ATOM 0 H71 DT B 6 0.471 -7.291 -1.377 1.00 1.31 H new ATOM 0 H72 DT B 6 -0.989 -8.071 -0.724 1.00 1.31 H new ATOM 0 H73 DT B 6 -0.213 -6.743 0.172 1.00 1.31 H new ATOM 0 H6 DT B 6 0.139 -8.128 2.196 1.00 1.23 H new ATOM 1997 P DA B 7 2.773 -8.732 6.995 1.00 1.87 P ATOM 1998 OP1 DA B 7 3.086 -8.887 8.430 1.00 2.11 O ATOM 1999 OP2 DA B 7 2.732 -7.338 6.486 1.00 1.84 O ATOM 2000 O5' DA B 7 3.790 -9.588 6.118 1.00 1.65 O ATOM 2001 C5' DA B 7 3.706 -11.035 6.167 1.00 1.65 C ATOM 2002 C4' DA B 7 5.089 -11.630 6.027 1.00 1.62 C ATOM 2003 O4' DA B 7 5.446 -11.652 4.607 1.00 1.37 O ATOM 2004 C3' DA B 7 6.229 -10.865 6.692 1.00 1.73 C ATOM 2005 O3' DA B 7 7.343 -11.703 6.985 1.00 1.83 O ATOM 2006 C2' DA B 7 6.627 -9.858 5.626 1.00 1.51 C ATOM 2007 C1' DA B 7 6.409 -10.649 4.344 1.00 1.30 C ATOM 2008 N9 DA B 7 5.909 -9.827 3.209 1.00 1.09 N ATOM 2009 C8 DA B 7 5.014 -8.791 3.243 1.00 1.14 C ATOM 2010 N7 DA B 7 4.773 -8.273 2.076 1.00 0.99 N ATOM 2011 C5 DA B 7 5.571 -9.009 1.216 1.00 0.80 C ATOM 2012 C6 DA B 7 5.771 -8.953 -0.179 1.00 0.64 C ATOM 2013 N6 DA B 7 5.149 -8.064 -0.972 1.00 0.69 N ATOM 2014 N1 DA B 7 6.625 -9.836 -0.717 1.00 0.57 N ATOM 2015 C2 DA B 7 7.234 -10.709 0.080 1.00 0.68 C ATOM 2016 N3 DA B 7 7.131 -10.866 1.381 1.00 0.84 N ATOM 2017 C4 DA B 7 6.267 -9.969 1.891 1.00 0.88 C ATOM 0 H5' DA B 7 3.060 -11.399 5.368 1.00 1.65 H new ATOM 0 H5'' DA B 7 3.257 -11.351 7.108 1.00 1.65 H new ATOM 0 H4' DA B 7 5.005 -12.601 6.514 1.00 1.62 H new ATOM 0 H3' DA B 7 5.926 -10.429 7.644 1.00 1.73 H new ATOM 0 H2' DA B 7 6.009 -8.961 5.662 1.00 1.51 H new ATOM 0 H2'' DA B 7 7.663 -9.536 5.735 1.00 1.51 H new ATOM 0 H1' DA B 7 7.378 -11.052 4.050 1.00 1.30 H new ATOM 0 H8 DA B 7 4.552 -8.438 4.153 1.00 1.14 H new ATOM 0 H61 DA B 7 5.328 -8.064 -1.976 1.00 0.69 H new ATOM 0 H62 DA B 7 4.498 -7.389 -0.570 1.00 0.69 H new ATOM 0 H2 DA B 7 7.913 -11.389 -0.414 1.00 0.68 H new ATOM 2029 P DT B 8 8.797 -11.059 7.105 1.00 1.86 P ATOM 2030 OP1 DT B 8 9.600 -11.820 8.082 1.00 2.10 O ATOM 2031 OP2 DT B 8 8.667 -9.606 7.364 1.00 1.84 O ATOM 2032 O5' DT B 8 9.369 -11.289 5.633 1.00 1.63 O ATOM 2033 C5' DT B 8 9.214 -12.592 5.019 1.00 1.61 C ATOM 2034 C4' DT B 8 10.407 -12.889 4.142 1.00 1.57 C ATOM 2035 O4' DT B 8 10.225 -12.209 2.859 1.00 1.32 O ATOM 2036 C3' DT B 8 11.759 -12.388 4.645 1.00 1.70 C ATOM 2037 O3' DT B 8 12.847 -13.128 4.096 1.00 1.78 O ATOM 2038 C2' DT B 8 11.810 -10.964 4.116 1.00 1.49 C ATOM 2039 C1' DT B 8 11.090 -11.093 2.781 1.00 1.26 C ATOM 2040 N1 DT B 8 10.267 -9.905 2.427 1.00 1.06 N ATOM 2041 C2 DT B 8 10.243 -9.528 1.100 1.00 0.85 C ATOM 2042 O2 DT B 8 10.858 -10.124 0.234 1.00 0.85 O ATOM 2043 N3 DT B 8 9.464 -8.423 0.816 1.00 0.71 N ATOM 2044 C4 DT B 8 8.735 -7.679 1.714 1.00 0.82 C ATOM 2045 O4 DT B 8 8.074 -6.703 1.340 1.00 0.80 O ATOM 2046 C5 DT B 8 8.825 -8.144 3.079 1.00 1.04 C ATOM 2047 C7 DT B 8 8.037 -7.368 4.090 1.00 1.22 C ATOM 2048 C6 DT B 8 9.568 -9.223 3.392 1.00 1.14 C ATOM 0 H5' DT B 8 8.300 -12.618 4.426 1.00 1.61 H new ATOM 0 H5'' DT B 8 9.117 -13.358 5.789 1.00 1.61 H new ATOM 0 H4' DT B 8 10.439 -13.978 4.105 1.00 1.57 H new ATOM 0 H3' DT B 8 11.849 -12.479 5.727 1.00 1.70 H new ATOM 0 H2' DT B 8 11.308 -10.263 4.783 1.00 1.49 H new ATOM 0 H2'' DT B 8 12.834 -10.611 3.994 1.00 1.49 H new ATOM 0 H1' DT B 8 11.856 -11.197 2.012 1.00 1.26 H new ATOM 0 H3 DT B 8 9.426 -8.129 -0.160 1.00 0.71 H new ATOM 0 H71 DT B 8 7.960 -6.329 3.771 1.00 1.22 H new ATOM 0 H72 DT B 8 7.038 -7.796 4.179 1.00 1.22 H new ATOM 0 H73 DT B 8 8.539 -7.415 5.056 1.00 1.22 H new ATOM 0 H6 DT B 8 9.615 -9.557 4.418 1.00 1.14 H new ATOM 2061 P DA B 9 14.284 -12.447 3.988 1.00 1.82 P ATOM 2062 OP1 DA B 9 15.334 -13.473 4.140 1.00 2.06 O ATOM 2063 OP2 DA B 9 14.354 -11.304 4.930 1.00 1.83 O ATOM 2064 O5' DA B 9 14.266 -11.902 2.491 1.00 1.59 O ATOM 2065 C5' DA B 9 13.814 -12.783 1.432 1.00 1.55 C ATOM 2066 C4' DA B 9 14.585 -12.497 0.164 1.00 1.52 C ATOM 2067 O4' DA B 9 13.995 -11.328 -0.489 1.00 1.27 O ATOM 2068 C3' DA B 9 16.058 -12.129 0.336 1.00 1.65 C ATOM 2069 O3' DA B 9 16.820 -12.400 -0.838 1.00 1.73 O ATOM 2070 C2' DA B 9 16.006 -10.627 0.563 1.00 1.46 C ATOM 2071 C1' DA B 9 14.845 -10.210 -0.328 1.00 1.23 C ATOM 2072 N9 DA B 9 14.029 -9.099 0.234 1.00 1.04 N ATOM 2073 C8 DA B 9 13.685 -8.875 1.539 1.00 1.11 C ATOM 2074 N7 DA B 9 12.953 -7.813 1.711 1.00 0.98 N ATOM 2075 C5 DA B 9 12.819 -7.296 0.436 1.00 0.79 C ATOM 2076 C6 DA B 9 12.146 -6.161 -0.065 1.00 0.64 C ATOM 2077 N6 DA B 9 11.463 -5.309 0.719 1.00 0.71 N ATOM 2078 N1 DA B 9 12.202 -5.941 -1.386 1.00 0.57 N ATOM 2079 C2 DA B 9 12.880 -6.791 -2.152 1.00 0.66 C ATOM 2080 N3 DA B 9 13.541 -7.879 -1.812 1.00 0.79 N ATOM 2081 C4 DA B 9 13.463 -8.074 -0.484 1.00 0.84 C ATOM 0 H5' DA B 9 12.747 -12.642 1.259 1.00 1.55 H new ATOM 0 H5'' DA B 9 13.954 -13.823 1.727 1.00 1.55 H new ATOM 0 H4' DA B 9 14.529 -13.433 -0.392 1.00 1.52 H new ATOM 0 H3' DA B 9 16.530 -12.697 1.138 1.00 1.65 H new ATOM 0 H2' DA B 9 15.827 -10.379 1.609 1.00 1.46 H new ATOM 0 H2'' DA B 9 16.937 -10.139 0.275 1.00 1.46 H new ATOM 0 H1' DA B 9 15.272 -9.858 -1.267 1.00 1.23 H new ATOM 0 H8 DA B 9 13.992 -9.519 2.350 1.00 1.11 H new ATOM 0 H61 DA B 9 10.993 -4.502 0.308 1.00 0.71 H new ATOM 0 H62 DA B 9 11.415 -5.469 1.725 1.00 0.71 H new ATOM 0 H2 DA B 9 12.890 -6.555 -3.206 1.00 0.66 H new ATOM 2093 P DA B 10 18.163 -11.580 -1.106 1.00 1.78 P ATOM 2094 OP1 DA B 10 19.127 -12.428 -1.834 1.00 2.00 O ATOM 2095 OP2 DA B 10 18.644 -11.001 0.171 1.00 1.80 O ATOM 2096 O5' DA B 10 17.637 -10.411 -2.053 1.00 1.56 O ATOM 2097 C5' DA B 10 16.775 -10.751 -3.168 1.00 1.52 C ATOM 2098 C4' DA B 10 17.052 -9.823 -4.329 1.00 1.50 C ATOM 2099 O4' DA B 10 16.342 -8.563 -4.100 1.00 1.26 O ATOM 2100 C3' DA B 10 18.507 -9.405 -4.532 1.00 1.63 C ATOM 2101 O3' DA B 10 18.770 -9.009 -5.876 1.00 1.72 O ATOM 2102 C2' DA B 10 18.641 -8.195 -3.622 1.00 1.46 C ATOM 2103 C1' DA B 10 17.264 -7.554 -3.736 1.00 1.24 C ATOM 2104 N9 DA B 10 16.783 -6.933 -2.476 1.00 1.07 N ATOM 2105 C8 DA B 10 16.951 -7.379 -1.193 1.00 1.12 C ATOM 2106 N7 DA B 10 16.404 -6.612 -0.297 1.00 1.02 N ATOM 2107 C5 DA B 10 15.850 -5.583 -1.039 1.00 0.85 C ATOM 2108 C6 DA B 10 15.118 -4.436 -0.673 1.00 0.74 C ATOM 2109 N6 DA B 10 14.825 -4.128 0.603 1.00 0.81 N ATOM 2110 N1 DA B 10 14.705 -3.625 -1.658 1.00 0.69 N ATOM 2111 C2 DA B 10 15.002 -3.939 -2.916 1.00 0.76 C ATOM 2112 N3 DA B 10 15.666 -4.973 -3.385 1.00 0.86 N ATOM 2113 C4 DA B 10 16.064 -5.766 -2.374 1.00 0.89 C ATOM 0 H5' DA B 10 15.730 -10.673 -2.869 1.00 1.52 H new ATOM 0 H5'' DA B 10 16.944 -11.785 -3.468 1.00 1.52 H new ATOM 0 H4' DA B 10 16.738 -10.397 -5.201 1.00 1.50 H new ATOM 0 H3' DA B 10 19.199 -10.219 -4.317 1.00 1.63 H new ATOM 0 H2' DA B 10 18.874 -8.481 -2.596 1.00 1.46 H new ATOM 0 H2'' DA B 10 19.432 -7.522 -3.953 1.00 1.46 H new ATOM 0 H1' DA B 10 17.344 -6.758 -4.476 1.00 1.24 H new ATOM 0 H8 DA B 10 17.488 -8.284 -0.948 1.00 1.12 H new ATOM 0 H61 DA B 10 14.292 -3.285 0.815 1.00 0.81 H new ATOM 0 H62 DA B 10 15.136 -4.738 1.359 1.00 0.81 H new ATOM 0 H2 DA B 10 14.646 -3.243 -3.661 1.00 0.76 H new ATOM 2125 P DC B 11 19.976 -8.008 -6.175 1.00 1.78 P ATOM 2126 OP1 DC B 11 20.552 -8.304 -7.503 1.00 2.00 O ATOM 2127 OP2 DC B 11 20.925 -8.032 -5.036 1.00 1.79 O ATOM 2128 O5' DC B 11 19.220 -6.604 -6.207 1.00 1.58 O ATOM 2129 C5' DC B 11 17.993 -6.490 -6.968 1.00 1.55 C ATOM 2130 C4' DC B 11 17.889 -5.106 -7.567 1.00 1.54 C ATOM 2131 O4' DC B 11 17.397 -4.188 -6.539 1.00 1.33 O ATOM 2132 C3' DC B 11 19.195 -4.473 -8.041 1.00 1.68 C ATOM 2133 O3' DC B 11 18.980 -3.474 -9.034 1.00 1.78 O ATOM 2134 C2' DC B 11 19.731 -3.815 -6.781 1.00 1.51 C ATOM 2135 C1' DC B 11 18.452 -3.360 -6.091 1.00 1.31 C ATOM 2136 N1 DC B 11 18.504 -3.454 -4.607 1.00 1.14 N ATOM 2137 C2 DC B 11 17.884 -2.447 -3.869 1.00 1.00 C ATOM 2138 O2 DC B 11 17.325 -1.521 -4.471 1.00 1.03 O ATOM 2139 N3 DC B 11 17.921 -2.514 -2.514 1.00 0.91 N ATOM 2140 C4 DC B 11 18.536 -3.529 -1.895 1.00 0.98 C ATOM 2141 N4 DC B 11 18.539 -3.548 -0.571 1.00 1.00 N ATOM 2142 C5 DC B 11 19.183 -4.571 -2.630 1.00 1.14 C ATOM 2143 C6 DC B 11 19.131 -4.486 -3.987 1.00 1.20 C ATOM 0 H5' DC B 11 17.135 -6.683 -6.324 1.00 1.55 H new ATOM 0 H5'' DC B 11 17.973 -7.241 -7.758 1.00 1.55 H new ATOM 0 H4' DC B 11 17.243 -5.245 -8.434 1.00 1.54 H new ATOM 0 H3' DC B 11 19.862 -5.207 -8.493 1.00 1.68 H new ATOM 0 H2' DC B 11 20.300 -4.513 -6.167 1.00 1.51 H new ATOM 0 H2'' DC B 11 20.392 -2.978 -7.007 1.00 1.51 H new ATOM 0 H1' DC B 11 18.309 -2.309 -6.343 1.00 1.31 H new ATOM 0 H41 DC B 11 19.000 -4.309 -0.073 1.00 1.00 H new ATOM 0 H42 DC B 11 18.080 -2.801 -0.049 1.00 1.00 H new ATOM 0 H5 DC B 11 19.688 -5.386 -2.132 1.00 1.14 H new ATOM 0 H6 DC B 11 19.598 -5.256 -4.583 1.00 1.20 H new ATOM 2155 P DG B 12 20.057 -2.314 -9.226 1.00 1.84 P ATOM 2156 OP1 DG B 12 20.093 -1.893 -10.642 1.00 2.07 O ATOM 2157 OP2 DG B 12 21.352 -2.749 -8.646 1.00 1.85 O ATOM 2158 O5' DG B 12 19.436 -1.153 -8.326 1.00 1.66 O ATOM 2159 C5' DG B 12 18.026 -0.846 -8.459 1.00 1.64 C ATOM 2160 C4' DG B 12 17.805 0.634 -8.253 1.00 1.65 C ATOM 2161 O4' DG B 12 17.779 0.910 -6.817 1.00 1.44 O ATOM 2162 C3' DG B 12 18.888 1.564 -8.795 1.00 1.78 C ATOM 2163 O3' DG B 12 18.393 2.876 -9.053 1.00 1.89 O ATOM 2164 C2' DG B 12 19.887 1.622 -7.651 1.00 1.62 C ATOM 2165 C1' DG B 12 18.978 1.554 -6.431 1.00 1.43 C ATOM 2166 N9 DG B 12 19.558 0.794 -5.292 1.00 1.27 N ATOM 2167 C8 DG B 12 20.329 -0.350 -5.309 1.00 1.29 C ATOM 2168 N7 DG B 12 20.686 -0.771 -4.123 1.00 1.20 N ATOM 2169 C5 DG B 12 20.109 0.152 -3.249 1.00 1.09 C ATOM 2170 C6 DG B 12 20.143 0.217 -1.837 1.00 1.04 C ATOM 2171 O6 DG B 12 20.700 -0.536 -1.039 1.00 1.08 O ATOM 2172 N1 DG B 12 19.423 1.326 -1.357 1.00 1.03 N ATOM 2173 C2 DG B 12 18.765 2.246 -2.147 1.00 1.08 C ATOM 2174 N2 DG B 12 18.138 3.235 -1.501 1.00 1.16 N ATOM 2175 N3 DG B 12 18.726 2.180 -3.476 1.00 1.15 N ATOM 2176 C4 DG B 12 19.415 1.114 -3.960 1.00 1.14 C ATOM 0 H5' DG B 12 17.450 -1.414 -7.729 1.00 1.64 H new ATOM 0 H5'' DG B 12 17.671 -1.143 -9.446 1.00 1.64 H new ATOM 0 H4' DG B 12 16.880 0.835 -8.794 1.00 1.65 H new ATOM 0 H3' DG B 12 19.295 1.207 -9.741 1.00 1.78 H new ATOM 0 H2' DG B 12 20.591 0.790 -7.682 1.00 1.62 H new ATOM 0 H2'' DG B 12 20.476 2.539 -7.670 1.00 1.62 H new ATOM 0 H1' DG B 12 18.823 2.577 -6.089 1.00 1.43 H new ATOM 0 H8 DG B 12 20.613 -0.854 -6.221 1.00 1.29 H new ATOM 0 H1 DG B 12 19.384 1.460 -0.347 1.00 1.03 H new ATOM 0 H21 DG B 12 17.633 3.948 -2.027 1.00 1.16 H new ATOM 0 H22 DG B 12 18.165 3.276 -0.482 1.00 1.16 H new ATOM 2188 P DT B 13 19.402 4.110 -9.035 1.00 1.95 P ATOM 2189 OP1 DT B 13 18.948 5.137 -9.994 1.00 2.17 O ATOM 2190 OP2 DT B 13 20.786 3.614 -9.225 1.00 1.96 O ATOM 2191 O5' DT B 13 19.228 4.642 -7.541 1.00 1.78 O ATOM 2192 C5' DT B 13 17.888 4.808 -7.011 1.00 1.75 C ATOM 2193 C4' DT B 13 17.854 5.988 -6.069 1.00 1.76 C ATOM 2194 O4' DT B 13 18.372 5.563 -4.769 1.00 1.57 O ATOM 2195 C3' DT B 13 18.726 7.183 -6.447 1.00 1.89 C ATOM 2196 O3' DT B 13 18.260 8.397 -5.864 1.00 1.99 O ATOM 2197 C2' DT B 13 20.074 6.825 -5.843 1.00 1.75 C ATOM 2198 C1' DT B 13 19.667 6.093 -4.570 1.00 1.57 C ATOM 2199 N1 DT B 13 20.569 4.966 -4.211 1.00 1.42 N ATOM 2200 C2 DT B 13 20.833 4.772 -2.871 1.00 1.32 C ATOM 2201 O2 DT B 13 20.359 5.477 -1.997 1.00 1.35 O ATOM 2202 N3 DT B 13 21.673 3.714 -2.583 1.00 1.25 N ATOM 2203 C4 DT B 13 22.260 2.862 -3.489 1.00 1.28 C ATOM 2204 O4 DT B 13 23.000 1.947 -3.110 1.00 1.28 O ATOM 2205 C5 DT B 13 21.933 3.144 -4.865 1.00 1.39 C ATOM 2206 C7 DT B 13 22.545 2.235 -5.889 1.00 1.50 C ATOM 2207 C6 DT B 13 21.111 4.164 -5.184 1.00 1.45 C ATOM 0 H5' DT B 13 17.579 3.903 -6.487 1.00 1.75 H new ATOM 0 H5'' DT B 13 17.181 4.961 -7.826 1.00 1.75 H new ATOM 0 H4' DT B 13 16.812 6.306 -6.088 1.00 1.76 H new ATOM 0 H3' DT B 13 18.737 7.353 -7.524 1.00 1.89 H new ATOM 0 H2' DT B 13 20.663 6.192 -6.507 1.00 1.75 H new ATOM 0 H2'' DT B 13 20.674 7.710 -5.631 1.00 1.75 H new ATOM 0 H1' DT B 13 19.714 6.816 -3.756 1.00 1.57 H new ATOM 0 H3 DT B 13 21.879 3.548 -1.598 1.00 1.25 H new ATOM 0 H71 DT B 13 23.504 1.867 -5.523 1.00 1.50 H new ATOM 0 H72 DT B 13 21.879 1.392 -6.072 1.00 1.50 H new ATOM 0 H73 DT B 13 22.698 2.784 -6.818 1.00 1.50 H new ATOM 0 H6 DT B 13 20.875 4.353 -6.221 1.00 1.45 H new ATOM 2220 P DC B 14 19.285 9.593 -5.620 1.00 2.06 P ATOM 2221 OP1 DC B 14 18.582 10.885 -5.752 1.00 2.27 O ATOM 2222 OP2 DC B 14 20.469 9.408 -6.491 1.00 2.07 O ATOM 2223 O5' DC B 14 19.699 9.350 -4.099 1.00 1.90 O ATOM 2224 C5' DC B 14 18.657 9.093 -3.126 1.00 1.87 C ATOM 2225 C4' DC B 14 19.046 9.691 -1.793 1.00 1.89 C ATOM 2226 O4' DC B 14 19.970 8.778 -1.120 1.00 1.72 O ATOM 2227 C3' DC B 14 19.797 11.021 -1.839 1.00 2.02 C ATOM 2228 O3' DC B 14 19.655 11.762 -0.631 1.00 2.12 O ATOM 2229 C2' DC B 14 21.248 10.584 -1.989 1.00 1.90 C ATOM 2230 C1' DC B 14 21.281 9.307 -1.161 1.00 1.74 C ATOM 2231 N1 DC B 14 22.177 8.255 -1.718 1.00 1.60 N ATOM 2232 C2 DC B 14 22.908 7.481 -0.819 1.00 1.52 C ATOM 2233 O2 DC B 14 22.789 7.697 0.393 1.00 1.56 O ATOM 2234 N3 DC B 14 23.730 6.520 -1.309 1.00 1.45 N ATOM 2235 C4 DC B 14 23.836 6.311 -2.627 1.00 1.46 C ATOM 2236 N4 DC B 14 24.651 5.356 -3.048 1.00 1.45 N ATOM 2237 C5 DC B 14 23.102 7.097 -3.567 1.00 1.55 C ATOM 2238 C6 DC B 14 22.280 8.052 -3.056 1.00 1.62 C ATOM 0 H5' DC B 14 18.500 8.019 -3.022 1.00 1.87 H new ATOM 0 H5'' DC B 14 17.714 9.521 -3.467 1.00 1.87 H new ATOM 0 H4' DC B 14 18.091 9.856 -1.295 1.00 1.89 H new ATOM 0 H3' DC B 14 19.429 11.670 -2.633 1.00 2.02 H new ATOM 0 H2' DC B 14 21.514 10.402 -3.030 1.00 1.90 H new ATOM 0 H2'' DC B 14 21.941 11.334 -1.609 1.00 1.90 H new ATOM 0 H1' DC B 14 21.666 9.574 -0.177 1.00 1.74 H new ATOM 0 H41 DC B 14 24.751 5.175 -4.047 1.00 1.45 H new ATOM 0 H42 DC B 14 25.178 4.802 -2.373 1.00 1.45 H new ATOM 0 H5 DC B 14 23.195 6.940 -4.632 1.00 1.55 H new ATOM 0 H6 DC B 14 21.696 8.662 -3.729 1.00 1.62 H new ATOM 2250 P DG B 15 20.775 12.823 -0.226 1.00 2.21 P ATOM 2251 OP1 DG B 15 20.160 13.937 0.522 1.00 2.40 O ATOM 2252 OP2 DG B 15 21.549 13.201 -1.434 1.00 2.21 O ATOM 2253 O5' DG B 15 21.697 11.956 0.744 1.00 2.07 O ATOM 2254 C5' DG B 15 21.066 11.156 1.776 1.00 2.04 C ATOM 2255 C4' DG B 15 21.950 11.113 3.001 1.00 2.08 C ATOM 2256 O4' DG B 15 22.992 10.109 2.792 1.00 1.93 O ATOM 2257 C3' DG B 15 22.720 12.391 3.329 1.00 2.21 C ATOM 2258 O3' DG B 15 23.075 12.469 4.706 1.00 2.32 O ATOM 2259 C2' DG B 15 23.982 12.248 2.494 1.00 2.10 C ATOM 2260 C1' DG B 15 24.231 10.747 2.547 1.00 1.95 C ATOM 2261 N9 DG B 15 24.793 10.186 1.290 1.00 1.82 N ATOM 2262 C8 DG B 15 24.508 10.520 -0.018 1.00 1.80 C ATOM 2263 N7 DG B 15 25.183 9.834 -0.903 1.00 1.72 N ATOM 2264 C5 DG B 15 25.971 8.975 -0.135 1.00 1.67 C ATOM 2265 C6 DG B 15 26.907 7.993 -0.534 1.00 1.63 C ATOM 2266 O6 DG B 15 27.248 7.662 -1.669 1.00 1.62 O ATOM 2267 N1 DG B 15 27.484 7.353 0.576 1.00 1.65 N ATOM 2268 C2 DG B 15 27.194 7.636 1.893 1.00 1.72 C ATOM 2269 N2 DG B 15 27.851 6.921 2.810 1.00 1.80 N ATOM 2270 N3 DG B 15 26.308 8.556 2.271 1.00 1.77 N ATOM 2271 C4 DG B 15 25.735 9.186 1.212 1.00 1.73 C ATOM 0 H5' DG B 15 20.889 10.145 1.408 1.00 2.04 H new ATOM 0 H5'' DG B 15 20.094 11.577 2.032 1.00 2.04 H new ATOM 0 H4' DG B 15 21.253 10.916 3.816 1.00 2.08 H new ATOM 0 H3' DG B 15 22.132 13.285 3.122 1.00 2.21 H new ATOM 0 H2' DG B 15 23.837 12.601 1.473 1.00 2.10 H new ATOM 0 H2'' DG B 15 24.814 12.814 2.913 1.00 2.10 H new ATOM 0 HO3' DG B 15 23.567 13.301 4.870 1.00 2.32 H new ATOM 0 H1' DG B 15 24.966 10.572 3.333 1.00 1.95 H new ATOM 0 H8 DG B 15 23.791 11.281 -0.287 1.00 1.80 H new ATOM 0 H1 DG B 15 28.171 6.622 0.392 1.00 1.65 H new ATOM 0 H21 DG B 15 27.680 7.084 3.802 1.00 1.80 H new ATOM 0 H22 DG B 15 28.524 6.212 2.518 1.00 1.80 H new TER 2284 DG B 15 ATOM 2285 OP3 DC C 16 35.347 3.212 -1.140 1.00 2.40 O ATOM 2286 P DC C 16 34.863 1.760 -0.699 1.00 2.45 P ATOM 2287 OP1 DC C 16 36.057 0.967 -0.310 1.00 2.66 O ATOM 2288 OP2 DC C 16 33.941 1.239 -1.741 1.00 2.37 O ATOM 2289 O5' DC C 16 34.014 2.059 0.619 1.00 2.36 O ATOM 2290 C5' DC C 16 34.598 2.766 1.744 1.00 2.43 C ATOM 2291 C4' DC C 16 33.659 2.705 2.927 1.00 2.41 C ATOM 2292 O4' DC C 16 32.627 3.728 2.758 1.00 2.24 O ATOM 2293 C3' DC C 16 32.876 1.408 3.106 1.00 2.43 C ATOM 2294 O3' DC C 16 32.458 1.211 4.456 1.00 2.51 O ATOM 2295 C2' DC C 16 31.652 1.625 2.231 1.00 2.22 C ATOM 2296 C1' DC C 16 31.400 3.117 2.404 1.00 2.12 C ATOM 2297 N1 DC C 16 30.896 3.788 1.174 1.00 1.96 N ATOM 2298 C2 DC C 16 29.939 4.786 1.323 1.00 1.85 C ATOM 2299 O2 DC C 16 29.545 5.073 2.461 1.00 1.89 O ATOM 2300 N3 DC C 16 29.467 5.408 0.214 1.00 1.75 N ATOM 2301 C4 DC C 16 29.913 5.073 -1.003 1.00 1.76 C ATOM 2302 N4 DC C 16 29.421 5.715 -2.051 1.00 1.72 N ATOM 2303 C5 DC C 16 30.892 4.048 -1.182 1.00 1.88 C ATOM 2304 C6 DC C 16 31.355 3.439 -0.056 1.00 1.97 C ATOM 0 H5' DC C 16 34.790 3.804 1.473 1.00 2.43 H new ATOM 0 H5'' DC C 16 35.558 2.322 2.006 1.00 2.43 H new ATOM 0 H4' DC C 16 34.317 2.827 3.787 1.00 2.41 H new ATOM 0 H3' DC C 16 33.474 0.534 2.847 1.00 2.43 H new ATOM 0 H2' DC C 16 31.842 1.361 1.191 1.00 2.22 H new ATOM 0 H2'' DC C 16 30.803 1.027 2.561 1.00 2.22 H new ATOM 0 H1' DC C 16 30.631 3.225 3.169 1.00 2.12 H new ATOM 0 H41 DC C 16 29.743 5.480 -2.990 1.00 1.72 H new ATOM 0 H42 DC C 16 28.720 6.444 -1.919 1.00 1.72 H new ATOM 0 H5 DC C 16 31.248 3.770 -2.163 1.00 1.88 H new ATOM 0 H6 DC C 16 32.102 2.663 -0.142 1.00 1.97 H new ATOM 2317 P DG C 17 31.183 0.304 4.756 1.00 2.47 P ATOM 2318 OP1 DG C 17 31.349 -0.372 6.059 1.00 2.67 O ATOM 2319 OP2 DG C 17 30.926 -0.581 3.594 1.00 2.40 O ATOM 2320 O5' DG C 17 30.029 1.400 4.854 1.00 2.30 O ATOM 2321 C5' DG C 17 30.262 2.590 5.650 1.00 2.35 C ATOM 2322 C4' DG C 17 28.970 3.034 6.294 1.00 2.31 C ATOM 2323 O4' DG C 17 28.190 3.784 5.310 1.00 2.11 O ATOM 2324 C3' DG C 17 28.027 1.926 6.757 1.00 2.34 C ATOM 2325 O3' DG C 17 27.145 2.365 7.789 1.00 2.42 O ATOM 2326 C2' DG C 17 27.219 1.624 5.505 1.00 2.12 C ATOM 2327 C1' DG C 17 27.100 3.001 4.863 1.00 1.99 C ATOM 2328 N9 DG C 17 27.141 2.974 3.377 1.00 1.83 N ATOM 2329 C8 DG C 17 27.893 2.179 2.536 1.00 1.83 C ATOM 2330 N7 DG C 17 27.690 2.406 1.264 1.00 1.71 N ATOM 2331 C5 DG C 17 26.738 3.428 1.249 1.00 1.61 C ATOM 2332 C6 DG C 17 26.131 4.092 0.160 1.00 1.50 C ATOM 2333 O6 DG C 17 26.301 3.921 -1.045 1.00 1.48 O ATOM 2334 N1 DG C 17 25.215 5.065 0.600 1.00 1.48 N ATOM 2335 C2 DG C 17 24.927 5.345 1.920 1.00 1.57 C ATOM 2336 N2 DG C 17 24.024 6.304 2.136 1.00 1.60 N ATOM 2337 N3 DG C 17 25.506 4.725 2.945 1.00 1.67 N ATOM 2338 C4 DG C 17 26.398 3.780 2.544 1.00 1.68 C ATOM 0 H5' DG C 17 30.659 3.387 5.022 1.00 2.35 H new ATOM 0 H5'' DG C 17 31.010 2.386 6.416 1.00 2.35 H new ATOM 0 H4' DG C 17 29.296 3.593 7.171 1.00 2.31 H new ATOM 0 H3' DG C 17 28.570 1.075 7.168 1.00 2.34 H new ATOM 0 H2' DG C 17 27.727 0.913 4.854 1.00 2.12 H new ATOM 0 H2'' DG C 17 26.244 1.199 5.742 1.00 2.12 H new ATOM 0 H1' DG C 17 26.131 3.408 5.153 1.00 1.99 H new ATOM 0 H8 DG C 17 28.588 1.435 2.896 1.00 1.83 H new ATOM 0 H1 DG C 17 24.725 5.606 -0.113 1.00 1.48 H new ATOM 0 H21 DG C 17 23.768 6.558 3.090 1.00 1.60 H new ATOM 0 H22 DG C 17 23.590 6.783 1.347 1.00 1.60 H new ATOM 2350 P DA C 18 25.747 1.624 7.989 1.00 2.38 P ATOM 2351 OP1 DA C 18 25.367 1.658 9.415 1.00 2.59 O ATOM 2352 OP2 DA C 18 25.809 0.282 7.365 1.00 2.33 O ATOM 2353 O5' DA C 18 24.770 2.558 7.143 1.00 2.18 O ATOM 2354 C5' DA C 18 24.849 3.995 7.321 1.00 2.21 C ATOM 2355 C4' DA C 18 23.475 4.605 7.170 1.00 2.15 C ATOM 2356 O4' DA C 18 23.182 4.749 5.743 1.00 1.93 O ATOM 2357 C3' DA C 18 22.306 3.788 7.714 1.00 2.19 C ATOM 2358 O3' DA C 18 21.179 4.602 8.028 1.00 2.25 O ATOM 2359 C2' DA C 18 21.957 2.878 6.548 1.00 1.97 C ATOM 2360 C1' DA C 18 22.233 3.778 5.350 1.00 1.82 C ATOM 2361 N9 DA C 18 22.785 3.054 4.172 1.00 1.66 N ATOM 2362 C8 DA C 18 23.677 2.015 4.157 1.00 1.69 C ATOM 2363 N7 DA C 18 23.970 1.600 2.962 1.00 1.57 N ATOM 2364 C5 DA C 18 23.213 2.409 2.134 1.00 1.44 C ATOM 2365 C6 DA C 18 23.078 2.474 0.731 1.00 1.32 C ATOM 2366 N6 DA C 18 23.735 1.656 -0.108 1.00 1.32 N ATOM 2367 N1 DA C 18 22.248 3.402 0.234 1.00 1.27 N ATOM 2368 C2 DA C 18 21.604 4.206 1.074 1.00 1.35 C ATOM 2369 N3 DA C 18 21.646 4.251 2.387 1.00 1.46 N ATOM 2370 C4 DA C 18 22.486 3.311 2.859 1.00 1.49 C ATOM 0 H5' DA C 18 25.531 4.425 6.587 1.00 2.21 H new ATOM 0 H5'' DA C 18 25.254 4.227 8.306 1.00 2.21 H new ATOM 0 H4' DA C 18 23.537 5.531 7.741 1.00 2.15 H new ATOM 0 H3' DA C 18 22.566 3.269 8.637 1.00 2.19 H new ATOM 0 H2' DA C 18 22.573 1.979 6.533 1.00 1.97 H new ATOM 0 H2'' DA C 18 20.918 2.552 6.582 1.00 1.97 H new ATOM 0 H1' DA C 18 21.279 4.210 5.047 1.00 1.82 H new ATOM 0 H8 DA C 18 24.097 1.582 5.053 1.00 1.69 H new ATOM 0 H61 DA C 18 23.602 1.745 -1.115 1.00 1.32 H new ATOM 0 H62 DA C 18 24.367 0.946 0.262 1.00 1.32 H new ATOM 0 H2 DA C 18 20.950 4.929 0.609 1.00 1.35 H new ATOM 2382 P DC C 19 19.722 3.955 8.026 1.00 2.21 P ATOM 2383 OP1 DC C 19 18.874 4.632 9.028 1.00 2.41 O ATOM 2384 OP2 DC C 19 19.839 2.484 8.162 1.00 2.18 O ATOM 2385 O5' DC C 19 19.217 4.311 6.554 1.00 2.00 O ATOM 2386 C5' DC C 19 19.399 5.664 6.063 1.00 2.01 C ATOM 2387 C4' DC C 19 18.246 6.039 5.162 1.00 1.95 C ATOM 2388 O4' DC C 19 18.488 5.471 3.835 1.00 1.73 O ATOM 2389 C3' DC C 19 16.873 5.501 5.558 1.00 1.99 C ATOM 2390 O3' DC C 19 15.810 6.290 5.024 1.00 2.05 O ATOM 2391 C2' DC C 19 16.847 4.126 4.907 1.00 1.78 C ATOM 2392 C1' DC C 19 17.628 4.367 3.620 1.00 1.62 C ATOM 2393 N1 DC C 19 18.467 3.214 3.203 1.00 1.46 N ATOM 2394 C2 DC C 19 18.563 2.938 1.841 1.00 1.30 C ATOM 2395 O2 DC C 19 17.951 3.655 1.040 1.00 1.30 O ATOM 2396 N3 DC C 19 19.323 1.888 1.440 1.00 1.20 N ATOM 2397 C4 DC C 19 19.973 1.131 2.331 1.00 1.28 C ATOM 2398 N4 DC C 19 20.703 0.122 1.883 1.00 1.26 N ATOM 2399 C5 DC C 19 19.886 1.391 3.735 1.00 1.46 C ATOM 2400 C6 DC C 19 19.122 2.450 4.114 1.00 1.54 C ATOM 0 H5' DC C 19 20.339 5.739 5.517 1.00 2.01 H new ATOM 0 H5'' DC C 19 19.460 6.360 6.900 1.00 2.01 H new ATOM 0 H4' DC C 19 18.214 7.127 5.218 1.00 1.95 H new ATOM 0 H3' DC C 19 16.733 5.500 6.639 1.00 1.99 H new ATOM 0 H2' DC C 19 17.318 3.369 5.534 1.00 1.78 H new ATOM 0 H2'' DC C 19 15.830 3.788 4.709 1.00 1.78 H new ATOM 0 H1' DC C 19 16.898 4.538 2.829 1.00 1.62 H new ATOM 0 H41 DC C 19 21.210 -0.472 2.540 1.00 1.26 H new ATOM 0 H42 DC C 19 20.759 -0.062 0.881 1.00 1.26 H new ATOM 0 H5 DC C 19 20.402 0.777 4.458 1.00 1.46 H new ATOM 0 H6 DC C 19 19.034 2.689 5.164 1.00 1.54 H new ATOM 2412 P DG C 20 14.381 5.626 4.794 1.00 2.03 P ATOM 2413 OP1 DG C 20 13.324 6.637 4.985 1.00 2.23 O ATOM 2414 OP2 DG C 20 14.269 4.404 5.630 1.00 2.01 O ATOM 2415 O5' DG C 20 14.468 5.210 3.257 1.00 1.81 O ATOM 2416 C5' DG C 20 14.966 6.178 2.299 1.00 1.82 C ATOM 2417 C4' DG C 20 14.255 6.006 0.980 1.00 1.77 C ATOM 2418 O4' DG C 20 14.874 4.896 0.255 1.00 1.54 O ATOM 2419 C3' DG C 20 12.776 5.629 1.051 1.00 1.83 C ATOM 2420 O3' DG C 20 12.067 6.001 -0.128 1.00 1.90 O ATOM 2421 C2' DG C 20 12.816 4.112 1.151 1.00 1.62 C ATOM 2422 C1' DG C 20 14.019 3.768 0.281 1.00 1.45 C ATOM 2423 N9 DG C 20 14.810 2.611 0.780 1.00 1.28 N ATOM 2424 C8 DG C 20 15.109 2.254 2.078 1.00 1.33 C ATOM 2425 N7 DG C 20 15.829 1.165 2.179 1.00 1.22 N ATOM 2426 C5 DG C 20 16.029 0.769 0.856 1.00 1.05 C ATOM 2427 C6 DG C 20 16.736 -0.336 0.332 1.00 0.94 C ATOM 2428 O6 DG C 20 17.350 -1.220 0.931 1.00 0.97 O ATOM 2429 N1 DG C 20 16.684 -0.361 -1.073 1.00 0.87 N ATOM 2430 C2 DG C 20 16.024 0.561 -1.857 1.00 0.95 C ATOM 2431 N2 DG C 20 16.084 0.364 -3.178 1.00 0.99 N ATOM 2432 N3 DG C 20 15.365 1.608 -1.365 1.00 1.07 N ATOM 2433 C4 DG C 20 15.406 1.653 -0.007 1.00 1.10 C ATOM 0 H5' DG C 20 16.040 6.049 2.163 1.00 1.82 H new ATOM 0 H5'' DG C 20 14.812 7.189 2.676 1.00 1.82 H new ATOM 0 H4' DG C 20 14.336 6.987 0.512 1.00 1.77 H new ATOM 0 H3' DG C 20 12.269 6.129 1.876 1.00 1.83 H new ATOM 0 H2' DG C 20 12.946 3.774 2.179 1.00 1.62 H new ATOM 0 H2'' DG C 20 11.899 3.654 0.779 1.00 1.62 H new ATOM 0 H1' DG C 20 13.635 3.497 -0.703 1.00 1.45 H new ATOM 0 H8 DG C 20 14.779 2.822 2.935 1.00 1.33 H new ATOM 0 H1 DG C 20 17.172 -1.120 -1.549 1.00 0.87 H new ATOM 0 H21 DG C 20 15.616 1.012 -3.812 1.00 0.99 H new ATOM 0 H22 DG C 20 16.598 -0.434 -3.552 1.00 0.99 H new ATOM 2445 P DT C 21 10.738 5.213 -0.527 1.00 1.90 P ATOM 2446 OP1 DT C 21 9.808 6.126 -1.223 1.00 2.12 O ATOM 2447 OP2 DT C 21 10.201 4.527 0.673 1.00 1.88 O ATOM 2448 O5' DT C 21 11.307 4.130 -1.547 1.00 1.69 O ATOM 2449 C5' DT C 21 12.219 4.560 -2.589 1.00 1.70 C ATOM 2450 C4' DT C 21 11.996 3.737 -3.837 1.00 1.66 C ATOM 2451 O4' DT C 21 12.695 2.460 -3.686 1.00 1.42 O ATOM 2452 C3' DT C 21 10.552 3.343 -4.140 1.00 1.74 C ATOM 2453 O3' DT C 21 10.350 3.066 -5.523 1.00 1.83 O ATOM 2454 C2' DT C 21 10.377 2.059 -3.344 1.00 1.53 C ATOM 2455 C1' DT C 21 11.758 1.426 -3.452 1.00 1.33 C ATOM 2456 N1 DT C 21 12.182 0.696 -2.228 1.00 1.14 N ATOM 2457 C2 DT C 21 12.892 -0.473 -2.403 1.00 0.96 C ATOM 2458 O2 DT C 21 13.175 -0.914 -3.503 1.00 0.97 O ATOM 2459 N3 DT C 21 13.267 -1.115 -1.239 1.00 0.84 N ATOM 2460 C4 DT C 21 12.997 -0.707 0.046 1.00 0.94 C ATOM 2461 O4 DT C 21 13.386 -1.372 1.016 1.00 0.94 O ATOM 2462 C5 DT C 21 12.247 0.522 0.132 1.00 1.13 C ATOM 2463 C7 DT C 21 11.938 1.008 1.517 1.00 1.30 C ATOM 2464 C6 DT C 21 11.871 1.180 -0.981 1.00 1.22 C ATOM 0 H5' DT C 21 13.249 4.452 -2.250 1.00 1.70 H new ATOM 0 H5'' DT C 21 12.064 5.617 -2.807 1.00 1.70 H new ATOM 0 H4' DT C 21 12.349 4.382 -4.641 1.00 1.66 H new ATOM 0 H3' DT C 21 9.851 4.138 -3.887 1.00 1.74 H new ATOM 0 H2' DT C 21 10.099 2.256 -2.309 1.00 1.53 H new ATOM 0 H2'' DT C 21 9.602 1.420 -3.766 1.00 1.53 H new ATOM 0 H1' DT C 21 11.713 0.698 -4.262 1.00 1.33 H new ATOM 0 H3 DT C 21 13.798 -1.980 -1.343 1.00 0.84 H new ATOM 0 H71 DT C 21 11.876 2.096 1.515 1.00 1.30 H new ATOM 0 H72 DT C 21 10.986 0.591 1.845 1.00 1.30 H new ATOM 0 H73 DT C 21 12.727 0.690 2.199 1.00 1.30 H new ATOM 0 H6 DT C 21 11.316 2.102 -0.892 1.00 1.22 H new ATOM 2477 P DT C 22 9.161 2.098 -5.963 1.00 1.85 P ATOM 2478 OP1 DT C 22 8.646 2.509 -7.283 1.00 2.09 O ATOM 2479 OP2 DT C 22 8.161 2.027 -4.870 1.00 1.83 O ATOM 2480 O5' DT C 22 9.917 0.700 -6.081 1.00 1.63 O ATOM 2481 C5' DT C 22 11.179 0.647 -6.794 1.00 1.63 C ATOM 2482 C4' DT C 22 11.309 -0.681 -7.503 1.00 1.59 C ATOM 2483 O4' DT C 22 11.756 -1.686 -6.538 1.00 1.34 O ATOM 2484 C3' DT C 22 10.027 -1.266 -8.090 1.00 1.69 C ATOM 2485 O3' DT C 22 10.288 -2.176 -9.155 1.00 1.79 O ATOM 2486 C2' DT C 22 9.435 -2.029 -6.916 1.00 1.48 C ATOM 2487 C1' DT C 22 10.683 -2.546 -6.211 1.00 1.26 C ATOM 2488 N1 DT C 22 10.563 -2.581 -4.728 1.00 1.06 N ATOM 2489 C2 DT C 22 11.148 -3.644 -4.071 1.00 0.86 C ATOM 2490 O2 DT C 22 11.743 -4.532 -4.658 1.00 0.87 O ATOM 2491 N3 DT C 22 11.013 -3.635 -2.699 1.00 0.72 N ATOM 2492 C4 DT C 22 10.363 -2.686 -1.943 1.00 0.82 C ATOM 2493 O4 DT C 22 10.307 -2.785 -0.713 1.00 0.82 O ATOM 2494 C5 DT C 22 9.779 -1.615 -2.714 1.00 1.04 C ATOM 2495 C7 DT C 22 9.067 -0.553 -1.931 1.00 1.21 C ATOM 2496 C6 DT C 22 9.896 -1.587 -4.057 1.00 1.13 C ATOM 0 H5' DT C 22 12.007 0.781 -6.098 1.00 1.63 H new ATOM 0 H5'' DT C 22 11.234 1.462 -7.515 1.00 1.63 H new ATOM 0 H4' DT C 22 11.994 -0.470 -8.324 1.00 1.59 H new ATOM 0 H3' DT C 22 9.381 -0.494 -8.507 1.00 1.69 H new ATOM 0 H2' DT C 22 8.839 -1.385 -6.270 1.00 1.48 H new ATOM 0 H2'' DT C 22 8.786 -2.841 -7.243 1.00 1.48 H new ATOM 0 H1' DT C 22 10.839 -3.571 -6.547 1.00 1.26 H new ATOM 0 H3 DT C 22 11.438 -4.411 -2.192 1.00 0.72 H new ATOM 0 H71 DT C 22 8.651 -0.988 -1.023 1.00 1.21 H new ATOM 0 H72 DT C 22 9.770 0.237 -1.666 1.00 1.21 H new ATOM 0 H73 DT C 22 8.262 -0.134 -2.535 1.00 1.21 H new ATOM 0 H6 DT C 22 9.459 -0.771 -4.613 1.00 1.13 H new ATOM 2509 P DA C 23 9.221 -3.312 -9.494 1.00 1.82 P ATOM 2510 OP1 DA C 23 9.252 -3.609 -10.940 1.00 2.06 O ATOM 2511 OP2 DA C 23 7.903 -2.924 -8.939 1.00 1.81 O ATOM 2512 O5' DA C 23 9.801 -4.548 -8.670 1.00 1.58 O ATOM 2513 C5' DA C 23 11.217 -4.847 -8.764 1.00 1.56 C ATOM 2514 C4' DA C 23 11.430 -6.341 -8.678 1.00 1.53 C ATOM 2515 O4' DA C 23 11.390 -6.739 -7.270 1.00 1.27 O ATOM 2516 C3' DA C 23 10.373 -7.216 -9.346 1.00 1.64 C ATOM 2517 O3' DA C 23 10.879 -8.502 -9.695 1.00 1.73 O ATOM 2518 C2' DA C 23 9.323 -7.371 -8.257 1.00 1.44 C ATOM 2519 C1' DA C 23 10.176 -7.411 -6.997 1.00 1.21 C ATOM 2520 N9 DA C 23 9.544 -6.748 -5.824 1.00 1.01 N ATOM 2521 C8 DA C 23 8.780 -5.613 -5.802 1.00 1.06 C ATOM 2522 N7 DA C 23 8.373 -5.282 -4.612 1.00 0.92 N ATOM 2523 C5 DA C 23 8.894 -6.273 -3.798 1.00 0.72 C ATOM 2524 C6 DA C 23 8.822 -6.496 -2.407 1.00 0.57 C ATOM 2525 N6 DA C 23 8.149 -5.689 -1.569 1.00 0.64 N ATOM 2526 N1 DA C 23 9.460 -7.570 -1.921 1.00 0.51 N ATOM 2527 C2 DA C 23 10.121 -8.360 -2.758 1.00 0.61 C ATOM 2528 N3 DA C 23 10.269 -8.260 -4.063 1.00 0.75 N ATOM 2529 C4 DA C 23 9.619 -7.175 -4.521 1.00 0.79 C ATOM 0 H5' DA C 23 11.758 -4.346 -7.961 1.00 1.56 H new ATOM 0 H5'' DA C 23 11.617 -4.467 -9.704 1.00 1.56 H new ATOM 0 H4' DA C 23 12.378 -6.499 -9.193 1.00 1.53 H new ATOM 0 H3' DA C 23 10.008 -6.776 -10.274 1.00 1.64 H new ATOM 0 H2' DA C 23 8.620 -6.538 -8.247 1.00 1.44 H new ATOM 0 H2'' DA C 23 8.737 -8.282 -8.382 1.00 1.44 H new ATOM 0 H1' DA C 23 10.316 -8.461 -6.739 1.00 1.21 H new ATOM 0 H8 DA C 23 8.538 -5.046 -6.689 1.00 1.06 H new ATOM 0 H61 DA C 23 8.128 -5.895 -0.570 1.00 0.64 H new ATOM 0 H62 DA C 23 7.660 -4.871 -1.932 1.00 0.64 H new ATOM 0 H2 DA C 23 10.609 -9.209 -2.302 1.00 0.61 H new ATOM 2541 P DT C 24 9.872 -9.731 -9.830 1.00 1.76 P ATOM 2542 OP1 DT C 24 10.370 -10.674 -10.852 1.00 2.00 O ATOM 2543 OP2 DT C 24 8.498 -9.216 -10.037 1.00 1.77 O ATOM 2544 O5' DT C 24 9.978 -10.389 -8.381 1.00 1.53 O ATOM 2545 C5' DT C 24 11.291 -10.604 -7.806 1.00 1.51 C ATOM 2546 C4' DT C 24 11.283 -11.863 -6.969 1.00 1.48 C ATOM 2547 O4' DT C 24 10.709 -11.549 -5.660 1.00 1.23 O ATOM 2548 C3' DT C 24 10.431 -13.017 -7.490 1.00 1.60 C ATOM 2549 O3' DT C 24 10.872 -14.279 -6.990 1.00 1.69 O ATOM 2550 C2' DT C 24 9.057 -12.708 -6.915 1.00 1.40 C ATOM 2551 C1' DT C 24 9.405 -12.091 -5.567 1.00 1.18 C ATOM 2552 N1 DT C 24 8.488 -10.997 -5.154 1.00 0.99 N ATOM 2553 C2 DT C 24 8.162 -10.917 -3.815 1.00 0.79 C ATOM 2554 O2 DT C 24 8.596 -11.695 -2.984 1.00 0.82 O ATOM 2555 N3 DT C 24 7.310 -9.886 -3.477 1.00 0.67 N ATOM 2556 C4 DT C 24 6.763 -8.955 -4.330 1.00 0.77 C ATOM 2557 O4 DT C 24 6.005 -8.074 -3.908 1.00 0.78 O ATOM 2558 C5 DT C 24 7.154 -9.120 -5.710 1.00 0.99 C ATOM 2559 C7 DT C 24 6.589 -8.125 -6.678 1.00 1.18 C ATOM 2560 C6 DT C 24 7.991 -10.111 -6.078 1.00 1.07 C ATOM 0 H5' DT C 24 11.573 -9.749 -7.191 1.00 1.51 H new ATOM 0 H5'' DT C 24 12.036 -10.687 -8.598 1.00 1.51 H new ATOM 0 H4' DT C 24 12.325 -12.184 -6.968 1.00 1.48 H new ATOM 0 H3' DT C 24 10.468 -13.093 -8.577 1.00 1.60 H new ATOM 0 H2' DT C 24 8.497 -12.018 -7.546 1.00 1.40 H new ATOM 0 H2'' DT C 24 8.449 -13.606 -6.807 1.00 1.40 H new ATOM 0 H1' DT C 24 9.321 -12.882 -4.822 1.00 1.18 H new ATOM 0 H3 DT C 24 7.059 -9.805 -2.492 1.00 0.67 H new ATOM 0 H71 DT C 24 5.614 -7.787 -6.325 1.00 1.18 H new ATOM 0 H72 DT C 24 7.262 -7.271 -6.757 1.00 1.18 H new ATOM 0 H73 DT C 24 6.479 -8.592 -7.657 1.00 1.18 H new ATOM 0 H6 DT C 24 8.275 -10.209 -7.115 1.00 1.07 H new ATOM 2573 P DA C 25 9.838 -15.487 -6.898 1.00 1.73 P ATOM 2574 OP1 DA C 25 10.545 -16.768 -7.109 1.00 1.96 O ATOM 2575 OP2 DA C 25 8.692 -15.224 -7.802 1.00 1.74 O ATOM 2576 O5' DA C 25 9.354 -15.376 -5.383 1.00 1.52 O ATOM 2577 C5' DA C 25 10.350 -15.207 -4.343 1.00 1.50 C ATOM 2578 C4' DA C 25 9.901 -15.916 -3.085 1.00 1.49 C ATOM 2579 O4' DA C 25 8.947 -15.061 -2.380 1.00 1.26 O ATOM 2580 C3' DA C 25 9.153 -17.235 -3.282 1.00 1.62 C ATOM 2581 O3' DA C 25 9.242 -18.078 -2.136 1.00 1.72 O ATOM 2582 C2' DA C 25 7.712 -16.782 -3.459 1.00 1.43 C ATOM 2583 C1' DA C 25 7.639 -15.580 -2.528 1.00 1.22 C ATOM 2584 N9 DA C 25 6.770 -14.484 -3.030 1.00 1.02 N ATOM 2585 C8 DA C 25 6.613 -14.050 -4.319 1.00 1.06 C ATOM 2586 N7 DA C 25 5.778 -13.060 -4.438 1.00 0.94 N ATOM 2587 C5 DA C 25 5.346 -12.835 -3.143 1.00 0.78 C ATOM 2588 C6 DA C 25 4.443 -11.904 -2.589 1.00 0.68 C ATOM 2589 N6 DA C 25 3.783 -10.997 -3.328 1.00 0.74 N ATOM 2590 N1 DA C 25 4.250 -11.942 -1.263 1.00 0.65 N ATOM 2591 C2 DA C 25 4.908 -12.847 -0.543 1.00 0.74 C ATOM 2592 N3 DA C 25 5.774 -13.757 -0.934 1.00 0.84 N ATOM 2593 C4 DA C 25 5.949 -13.692 -2.266 1.00 0.85 C ATOM 0 H5' DA C 25 10.501 -14.147 -4.140 1.00 1.50 H new ATOM 0 H5'' DA C 25 11.308 -15.607 -4.675 1.00 1.50 H new ATOM 0 H4' DA C 25 10.832 -16.126 -2.558 1.00 1.49 H new ATOM 0 H3' DA C 25 9.556 -17.814 -4.113 1.00 1.62 H new ATOM 0 H2' DA C 25 7.494 -16.511 -4.492 1.00 1.43 H new ATOM 0 H2'' DA C 25 7.003 -17.560 -3.177 1.00 1.43 H new ATOM 0 H1' DA C 25 7.208 -15.929 -1.590 1.00 1.22 H new ATOM 0 H8 DA C 25 7.133 -14.488 -5.158 1.00 1.06 H new ATOM 0 H61 DA C 25 3.140 -10.345 -2.880 1.00 0.74 H new ATOM 0 H62 DA C 25 3.925 -10.961 -4.337 1.00 0.74 H new ATOM 0 H2 DA C 25 4.701 -12.832 0.517 1.00 0.74 H new ATOM 2605 P DT C 26 8.105 -19.166 -1.876 1.00 1.77 P ATOM 2606 OP1 DT C 26 8.686 -20.342 -1.201 1.00 2.01 O ATOM 2607 OP2 DT C 26 7.386 -19.436 -3.145 1.00 1.77 O ATOM 2608 O5' DT C 26 7.139 -18.383 -0.878 1.00 1.58 O ATOM 2609 C5' DT C 26 7.722 -17.678 0.247 1.00 1.57 C ATOM 2610 C4' DT C 26 6.784 -17.738 1.430 1.00 1.58 C ATOM 2611 O4' DT C 26 5.751 -16.715 1.260 1.00 1.35 O ATOM 2612 C3' DT C 26 6.001 -19.036 1.610 1.00 1.70 C ATOM 2613 O3' DT C 26 5.584 -19.232 2.958 1.00 1.82 O ATOM 2614 C2' DT C 26 4.778 -18.818 0.735 1.00 1.52 C ATOM 2615 C1' DT C 26 4.525 -17.326 0.908 1.00 1.32 C ATOM 2616 N1 DT C 26 4.022 -16.656 -0.323 1.00 1.13 N ATOM 2617 C2 DT C 26 3.072 -15.669 -0.159 1.00 0.98 C ATOM 2618 O2 DT C 26 2.646 -15.338 0.932 1.00 1.02 O ATOM 2619 N3 DT C 26 2.635 -15.074 -1.326 1.00 0.87 N ATOM 2620 C4 DT C 26 3.047 -15.374 -2.605 1.00 0.92 C ATOM 2621 O4 DT C 26 2.580 -14.770 -3.578 1.00 0.93 O ATOM 2622 C5 DT C 26 4.036 -16.421 -2.677 1.00 1.08 C ATOM 2623 C7 DT C 26 4.520 -16.775 -4.052 1.00 1.23 C ATOM 2624 C6 DT C 26 4.492 -17.019 -1.560 1.00 1.17 C ATOM 0 H5' DT C 26 7.915 -16.640 -0.023 1.00 1.57 H new ATOM 0 H5'' DT C 26 8.682 -18.123 0.509 1.00 1.57 H new ATOM 0 H4' DT C 26 7.442 -17.615 2.290 1.00 1.58 H new ATOM 0 H3' DT C 26 6.598 -19.911 1.352 1.00 1.70 H new ATOM 0 H2' DT C 26 4.969 -19.081 -0.305 1.00 1.52 H new ATOM 0 H2'' DT C 26 3.929 -19.417 1.065 1.00 1.52 H new ATOM 0 H1' DT C 26 3.756 -17.218 1.673 1.00 1.32 H new ATOM 0 H3 DT C 26 1.936 -14.337 -1.231 1.00 0.87 H new ATOM 0 H71 DT C 26 3.725 -16.595 -4.775 1.00 1.23 H new ATOM 0 H72 DT C 26 5.385 -16.161 -4.303 1.00 1.23 H new ATOM 0 H73 DT C 26 4.803 -17.827 -4.079 1.00 1.23 H new ATOM 0 H6 DT C 26 5.238 -17.796 -1.639 1.00 1.17 H new ATOM 2637 P DT C 27 4.308 -20.139 3.261 1.00 1.88 P ATOM 2638 OP1 DT C 27 4.474 -20.816 4.561 1.00 2.12 O ATOM 2639 OP2 DT C 27 4.052 -21.024 2.098 1.00 1.87 O ATOM 2640 O5' DT C 27 3.154 -19.043 3.357 1.00 1.69 O ATOM 2641 C5' DT C 27 3.387 -17.852 4.153 1.00 1.68 C ATOM 2642 C4' DT C 27 2.095 -17.409 4.797 1.00 1.69 C ATOM 2643 O4' DT C 27 1.315 -16.658 3.814 1.00 1.47 O ATOM 2644 C3' DT C 27 1.152 -18.517 5.259 1.00 1.82 C ATOM 2645 O3' DT C 27 0.270 -18.079 6.290 1.00 1.93 O ATOM 2646 C2' DT C 27 0.344 -18.818 4.007 1.00 1.65 C ATOM 2647 C1' DT C 27 0.226 -17.443 3.366 1.00 1.45 C ATOM 2648 N1 DT C 27 0.265 -17.469 1.878 1.00 1.27 N ATOM 2649 C2 DT C 27 -0.558 -16.587 1.210 1.00 1.14 C ATOM 2650 O2 DT C 27 -1.295 -15.807 1.787 1.00 1.18 O ATOM 2651 N3 DT C 27 -0.486 -16.645 -0.168 1.00 1.03 N ATOM 2652 C4 DT C 27 0.306 -17.485 -0.916 1.00 1.07 C ATOM 2653 O4 DT C 27 0.282 -17.446 -2.149 1.00 1.06 O ATOM 2654 C5 DT C 27 1.129 -18.374 -0.130 1.00 1.21 C ATOM 2655 C7 DT C 27 2.016 -19.302 -0.904 1.00 1.33 C ATOM 2656 C6 DT C 27 1.093 -18.341 1.216 1.00 1.30 C ATOM 0 H5' DT C 27 3.783 -17.055 3.524 1.00 1.68 H new ATOM 0 H5'' DT C 27 4.135 -18.056 4.919 1.00 1.68 H new ATOM 0 H4' DT C 27 2.421 -16.851 5.675 1.00 1.69 H new ATOM 0 H3' DT C 27 1.695 -19.368 5.670 1.00 1.82 H new ATOM 0 H2' DT C 27 0.852 -19.529 3.355 1.00 1.65 H new ATOM 0 H2'' DT C 27 -0.632 -19.243 4.244 1.00 1.65 H new ATOM 0 H1' DT C 27 -0.743 -17.037 3.656 1.00 1.45 H new ATOM 0 H3 DT C 27 -1.082 -15.998 -0.685 1.00 1.03 H new ATOM 0 H71 DT C 27 1.549 -19.538 -1.860 1.00 1.33 H new ATOM 0 H72 DT C 27 2.979 -18.823 -1.079 1.00 1.33 H new ATOM 0 H73 DT C 27 2.165 -20.221 -0.337 1.00 1.33 H new ATOM 0 H6 DT C 27 1.724 -19.010 1.782 1.00 1.30 H new ATOM 2669 P DG C 28 -1.128 -18.819 6.491 1.00 1.99 P ATOM 2670 OP1 DG C 28 -1.508 -18.786 7.918 1.00 2.23 O ATOM 2671 OP2 DG C 28 -1.066 -20.160 5.867 1.00 1.99 O ATOM 2672 O5' DG C 28 -2.107 -17.884 5.646 1.00 1.81 O ATOM 2673 C5' DG C 28 -2.025 -16.448 5.824 1.00 1.79 C ATOM 2674 C4' DG C 28 -3.400 -15.838 5.672 1.00 1.80 C ATOM 2675 O4' DG C 28 -3.694 -15.694 4.246 1.00 1.60 O ATOM 2676 C3' DG C 28 -4.570 -16.655 6.218 1.00 1.93 C ATOM 2677 O3' DG C 28 -5.697 -15.841 6.530 1.00 2.04 O ATOM 2678 C2' DG C 28 -4.918 -17.564 5.051 1.00 1.78 C ATOM 2679 C1' DG C 28 -4.643 -16.666 3.854 1.00 1.59 C ATOM 2680 N9 DG C 28 -4.090 -17.391 2.676 1.00 1.43 N ATOM 2681 C8 DG C 28 -3.191 -18.435 2.636 1.00 1.44 C ATOM 2682 N7 DG C 28 -2.908 -18.851 1.428 1.00 1.33 N ATOM 2683 C5 DG C 28 -3.669 -18.024 0.599 1.00 1.24 C ATOM 2684 C6 DG C 28 -3.777 -17.994 -0.810 1.00 1.17 C ATOM 2685 O6 DG C 28 -3.216 -18.701 -1.645 1.00 1.18 O ATOM 2686 N1 DG C 28 -4.665 -16.991 -1.236 1.00 1.19 N ATOM 2687 C2 DG C 28 -5.360 -16.139 -0.400 1.00 1.27 C ATOM 2688 N2 DG C 28 -6.164 -15.256 -0.996 1.00 1.35 N ATOM 2689 N3 DG C 28 -5.253 -16.163 0.927 1.00 1.33 N ATOM 2690 C4 DG C 28 -4.394 -17.123 1.361 1.00 1.31 C ATOM 0 H5' DG C 28 -1.343 -16.019 5.090 1.00 1.79 H new ATOM 0 H5'' DG C 28 -1.620 -16.216 6.809 1.00 1.79 H new ATOM 0 H4' DG C 28 -3.337 -14.911 6.242 1.00 1.80 H new ATOM 0 H3' DG C 28 -4.311 -17.173 7.142 1.00 1.93 H new ATOM 0 H2' DG C 28 -4.301 -18.463 5.036 1.00 1.78 H new ATOM 0 H2'' DG C 28 -5.957 -17.891 5.085 1.00 1.78 H new ATOM 0 H1' DG C 28 -5.597 -16.235 3.551 1.00 1.59 H new ATOM 0 H8 DG C 28 -2.758 -18.872 3.524 1.00 1.44 H new ATOM 0 H1 DG C 28 -4.807 -16.884 -2.240 1.00 1.19 H new ATOM 0 H21 DG C 28 -6.705 -14.599 -0.434 1.00 1.35 H new ATOM 0 H22 DG C 28 -6.237 -15.239 -2.013 1.00 1.35 H new ATOM 2702 P DT C 29 -7.154 -16.487 6.528 1.00 2.11 P ATOM 2703 OP1 DT C 29 -8.001 -15.810 7.530 1.00 2.33 O ATOM 2704 OP2 DT C 29 -7.035 -17.958 6.666 1.00 2.12 O ATOM 2705 O5' DT C 29 -7.657 -16.131 5.059 1.00 1.95 O ATOM 2706 C5' DT C 29 -7.477 -14.780 4.566 1.00 1.92 C ATOM 2707 C4' DT C 29 -8.629 -14.405 3.665 1.00 1.94 C ATOM 2708 O4' DT C 29 -8.388 -14.971 2.337 1.00 1.76 O ATOM 2709 C3' DT C 29 -10.003 -14.942 4.060 1.00 2.08 C ATOM 2710 O3' DT C 29 -11.064 -14.153 3.528 1.00 2.19 O ATOM 2711 C2' DT C 29 -10.028 -16.316 3.409 1.00 1.95 C ATOM 2712 C1' DT C 29 -9.247 -16.075 2.125 1.00 1.77 C ATOM 2713 N1 DT C 29 -8.408 -17.229 1.707 1.00 1.62 N ATOM 2714 C2 DT C 29 -8.324 -17.491 0.355 1.00 1.52 C ATOM 2715 O2 DT C 29 -8.899 -16.820 -0.485 1.00 1.57 O ATOM 2716 N3 DT C 29 -7.533 -18.570 0.012 1.00 1.43 N ATOM 2717 C4 DT C 29 -6.843 -19.390 0.874 1.00 1.45 C ATOM 2718 O4 DT C 29 -6.167 -20.334 0.448 1.00 1.42 O ATOM 2719 C5 DT C 29 -6.996 -19.045 2.267 1.00 1.56 C ATOM 2720 C7 DT C 29 -6.255 -19.909 3.243 1.00 1.65 C ATOM 2721 C6 DT C 29 -7.753 -17.994 2.640 1.00 1.64 C ATOM 0 H5' DT C 29 -6.537 -14.705 4.019 1.00 1.92 H new ATOM 0 H5'' DT C 29 -7.416 -14.083 5.402 1.00 1.92 H new ATOM 0 H4' DT C 29 -8.660 -13.317 3.722 1.00 1.94 H new ATOM 0 H3' DT C 29 -10.145 -14.944 5.141 1.00 2.08 H new ATOM 0 H2' DT C 29 -9.557 -17.073 4.036 1.00 1.95 H new ATOM 0 H2'' DT C 29 -11.045 -16.654 3.210 1.00 1.95 H new ATOM 0 HO3' DT C 29 -11.924 -14.533 3.804 1.00 2.19 H new ATOM 0 H1' DT C 29 -9.978 -15.904 1.334 1.00 1.77 H new ATOM 0 H3 DT C 29 -7.452 -18.780 -0.983 1.00 1.43 H new ATOM 0 H71 DT C 29 -6.163 -20.917 2.839 1.00 1.65 H new ATOM 0 H72 DT C 29 -5.262 -19.494 3.415 1.00 1.65 H new ATOM 0 H73 DT C 29 -6.801 -19.944 4.186 1.00 1.65 H new ATOM 0 H6 DT C 29 -7.846 -17.750 3.688 1.00 1.64 H new TER 2735 DT C 29