USER MOD reduce.3.24.130724 H: found=0, std=0, add=1241, rem=0, adj=39 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 76 CYS SG : rot 69:sc= -0.102 USER MOD Set 1.2: B 6 DT C7 :methyl -30:sc= -4.44! (180deg=-6.7!) USER MOD Set 2.1: A 58 LYS NZ :NH3+ -138:sc= -1.99 (180deg=-1.57) USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 72 SER OG : rot 170:sc= -0.252 USER MOD Set 2.4: A 75 THR OG1 : rot -70:sc= -0.495 USER MOD Set 2.5: C 21 DT C7 :methyl -30:sc= -5.34! (180deg=-5.44!) USER MOD Set 2.6: C 22 DT C7 :methyl -30:sc= -4.93! (180deg=-6.68!) USER MOD Set 3.1: A 56 GLN :FLIP amide:sc= -0.387 F(o=-2.7!,f=-0.61) USER MOD Set 3.2: A 59 HIS :FLIP no HD1:sc= -0.222 X(o=-0.91,f=-0.61) USER MOD Set 4.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 16 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.16) USER MOD Single : A 1 ARG N :NH3+ -161:sc= 1.11 (180deg=0.411) USER MOD Single : A 5 GLN : amide:sc= 1.24 K(o=1.2,f=-7.8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.019 USER MOD Single : A 15 MET CE :methyl 174:sc= -0.682 (180deg=-0.777) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 69:sc= 0.19 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -1.75 K(o=-1.8,f=-2.4!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 168:sc= -0.563 (180deg=-0.845) USER MOD Single : A 40 GLN : amide:sc= 0.804 K(o=0.8,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.16) USER MOD Single : A 44 LYS NZ :NH3+ -171:sc= 0.112 (180deg=0.0707) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.219 USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.566 USER MOD Single : A 52 THR OG1 : rot 79:sc= 0.615 USER MOD Single : A 61 TYR OH : rot 98:sc= 1.25 USER MOD Single : A 67 ASN : amide:sc= -0.767 K(o=-0.77,f=-3.8!) USER MOD Single : A 70 SER OG : rot -25:sc= -0.21 USER MOD Single : A 77 THR OG1 : rot 180:sc=-0.00891 USER MOD Single : A 80 HIS : no HD1:sc= -3.25! C(o=-3.3!,f=-12!) USER MOD Single : A 81 TYR OH : rot 10:sc= 1.28 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -173:sc= 1.49 (180deg=1.27) USER MOD Single : A 98 LYS NZ :NH3+ 173:sc= -2.27 (180deg=-2.65) USER MOD Single : A 104 LYS NZ :NH3+ -171:sc= 0.0766 (180deg=-0.0461) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DT C7 :methyl -30:sc= -5.03! (180deg=-5.32!) USER MOD Single : B 13 DT C7 :methyl -30:sc= -3.77! (180deg=-5.1!) USER MOD Single : B 15 DG O3' : rot 180:sc= 0 USER MOD Single : C 24 DT C7 :methyl -30:sc= -3.85! (180deg=-5.09!) USER MOD Single : C 26 DT C7 :methyl -30:sc= -3.86! (180deg=-5.1!) USER MOD Single : C 27 DT C7 :methyl -30:sc= -4.25! (180deg=-5.08!) USER MOD Single : C 29 DT C7 :methyl -30:sc= -3.77! (180deg=-5.1!) USER MOD Single : C 29 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -15.037 10.313 11.124 1.00 1.75 N ATOM 2 CA ARG A 1 -15.282 8.846 11.209 1.00 1.74 C ATOM 3 C ARG A 1 -16.559 8.403 10.490 1.00 1.77 C ATOM 4 O ARG A 1 -16.516 7.593 9.555 1.00 1.74 O ATOM 5 CB ARG A 1 -15.209 8.363 12.679 1.00 1.77 C ATOM 6 CG ARG A 1 -15.250 6.832 12.856 1.00 1.77 C ATOM 7 CD ARG A 1 -16.657 6.309 13.187 1.00 1.83 C ATOM 8 NE ARG A 1 -16.684 4.840 13.229 1.00 1.84 N ATOM 9 CZ ARG A 1 -16.458 4.037 14.247 1.00 1.86 C ATOM 10 NH1 ARG A 1 -16.153 4.469 15.436 1.00 1.89 N ATOM 11 NH2 ARG A 1 -16.540 2.756 14.053 1.00 1.87 N ATOM 0 H1 ARG A 1 -14.037 10.511 11.332 1.00 1.75 H new ATOM 0 H2 ARG A 1 -15.264 10.648 10.166 1.00 1.75 H new ATOM 0 H3 ARG A 1 -15.638 10.806 11.815 1.00 1.75 H new ATOM 0 HA ARG A 1 -14.478 8.351 10.664 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -14.291 8.743 13.127 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -16.039 8.802 13.233 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -14.896 6.355 11.942 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -14.564 6.544 13.652 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -16.979 6.708 14.149 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -17.365 6.667 12.440 1.00 1.83 H new ATOM 0 HE ARG A 1 -16.909 4.379 12.347 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -16.080 5.471 15.611 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -15.987 3.805 16.193 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -16.775 2.394 13.129 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -16.370 2.111 14.825 1.00 1.87 H new ATOM 27 N ALA A 2 -17.714 8.897 10.947 1.00 1.84 N ATOM 28 CA ALA A 2 -19.014 8.385 10.502 1.00 1.89 C ATOM 29 C ALA A 2 -19.299 8.638 9.013 1.00 1.88 C ATOM 30 O ALA A 2 -19.846 7.771 8.335 1.00 1.89 O ATOM 31 CB ALA A 2 -20.104 8.993 11.392 1.00 1.97 C ATOM 0 H ALA A 2 -17.775 9.654 11.628 1.00 1.84 H new ATOM 0 HA ALA A 2 -19.002 7.300 10.603 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -21.080 8.624 11.076 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -19.927 8.709 12.429 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -20.081 10.079 11.304 1.00 1.97 H new ATOM 37 N ASP A 3 -18.879 9.789 8.485 1.00 1.87 N ATOM 38 CA ASP A 3 -19.064 10.120 7.067 1.00 1.88 C ATOM 39 C ASP A 3 -18.125 9.328 6.138 1.00 1.81 C ATOM 40 O ASP A 3 -18.535 8.972 5.035 1.00 1.82 O ATOM 41 CB ASP A 3 -18.855 11.629 6.888 1.00 1.90 C ATOM 42 CG ASP A 3 -19.236 12.104 5.475 1.00 1.92 C ATOM 43 OD1 ASP A 3 -20.440 12.049 5.125 1.00 1.98 O ATOM 44 OD2 ASP A 3 -18.345 12.580 4.732 1.00 1.89 O ATOM 0 H ASP A 3 -18.404 10.515 9.022 1.00 1.87 H new ATOM 0 HA ASP A 3 -20.077 9.837 6.781 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -19.453 12.167 7.624 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -17.811 11.875 7.083 1.00 1.90 H new ATOM 49 N GLU A 4 -16.919 8.970 6.604 1.00 1.74 N ATOM 50 CA GLU A 4 -16.022 8.099 5.831 1.00 1.68 C ATOM 51 C GLU A 4 -16.627 6.697 5.755 1.00 1.69 C ATOM 52 O GLU A 4 -16.743 6.122 4.675 1.00 1.68 O ATOM 53 CB GLU A 4 -14.630 8.020 6.473 1.00 1.62 C ATOM 54 CG GLU A 4 -13.924 9.377 6.624 1.00 1.61 C ATOM 55 CD GLU A 4 -14.126 9.958 8.033 1.00 1.65 C ATOM 56 OE1 GLU A 4 -15.239 10.431 8.367 1.00 1.71 O ATOM 57 OE2 GLU A 4 -13.190 9.900 8.861 1.00 1.62 O ATOM 0 H GLU A 4 -16.545 9.268 7.505 1.00 1.74 H new ATOM 0 HA GLU A 4 -15.911 8.519 4.831 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -14.722 7.560 7.457 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -14.002 7.362 5.872 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -12.859 9.259 6.426 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -14.311 10.075 5.882 1.00 1.61 H new ATOM 64 N GLN A 5 -17.109 6.179 6.892 1.00 1.72 N ATOM 65 CA GLN A 5 -17.799 4.889 6.896 1.00 1.75 C ATOM 66 C GLN A 5 -19.054 4.901 6.008 1.00 1.81 C ATOM 67 O GLN A 5 -19.204 4.019 5.163 1.00 1.81 O ATOM 68 CB GLN A 5 -18.103 4.403 8.320 1.00 1.78 C ATOM 69 CG GLN A 5 -16.818 3.972 9.057 1.00 1.73 C ATOM 70 CD GLN A 5 -17.065 2.791 9.993 1.00 1.77 C ATOM 71 OE1 GLN A 5 -17.150 2.924 11.208 1.00 1.80 O ATOM 72 NE2 GLN A 5 -17.191 1.591 9.471 1.00 1.77 N ATOM 0 H GLN A 5 -17.035 6.627 7.805 1.00 1.72 H new ATOM 0 HA GLN A 5 -17.113 4.165 6.457 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -18.595 5.198 8.880 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -18.799 3.565 8.279 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -16.054 3.703 8.327 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -16.429 4.814 9.630 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -17.123 1.464 8.461 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -17.357 0.787 10.076 1.00 1.77 H new ATOM 81 N ALA A 6 -19.905 5.926 6.099 1.00 1.86 N ATOM 82 CA ALA A 6 -21.059 6.081 5.210 1.00 1.92 C ATOM 83 C ALA A 6 -20.653 6.103 3.723 1.00 1.90 C ATOM 84 O ALA A 6 -21.192 5.332 2.924 1.00 1.92 O ATOM 85 CB ALA A 6 -21.829 7.345 5.611 1.00 1.98 C ATOM 0 H ALA A 6 -19.814 6.671 6.790 1.00 1.86 H new ATOM 0 HA ALA A 6 -21.709 5.213 5.324 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -22.691 7.470 4.955 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -22.169 7.252 6.643 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -21.176 8.213 5.521 1.00 1.98 H new ATOM 91 N PHE A 7 -19.650 6.908 3.345 1.00 1.85 N ATOM 92 CA PHE A 7 -19.188 6.964 1.956 1.00 1.83 C ATOM 93 C PHE A 7 -18.360 5.743 1.526 1.00 1.77 C ATOM 94 O PHE A 7 -18.265 5.491 0.319 1.00 1.78 O ATOM 95 CB PHE A 7 -18.562 8.335 1.622 1.00 1.82 C ATOM 96 CG PHE A 7 -17.090 8.616 1.903 1.00 1.75 C ATOM 97 CD1 PHE A 7 -16.077 7.918 1.212 1.00 1.69 C ATOM 98 CD2 PHE A 7 -16.726 9.726 2.695 1.00 1.75 C ATOM 99 CE1 PHE A 7 -14.733 8.300 1.340 1.00 1.63 C ATOM 100 CE2 PHE A 7 -15.376 10.097 2.838 1.00 1.69 C ATOM 101 CZ PHE A 7 -14.376 9.379 2.164 1.00 1.63 C ATOM 0 H PHE A 7 -19.146 7.526 3.981 1.00 1.85 H new ATOM 0 HA PHE A 7 -20.071 6.886 1.322 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -18.723 8.508 0.558 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -19.139 9.088 2.158 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -16.338 7.083 0.579 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -17.493 10.297 3.197 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -13.968 7.760 0.801 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -15.110 10.934 3.466 1.00 1.69 H new ATOM 0 HZ PHE A 7 -13.338 9.655 2.279 1.00 1.63 H new ATOM 111 N LEU A 8 -17.877 4.906 2.465 1.00 1.73 N ATOM 112 CA LEU A 8 -17.253 3.643 2.041 1.00 1.69 C ATOM 113 C LEU A 8 -18.266 2.489 2.031 1.00 1.75 C ATOM 114 O LEU A 8 -18.012 1.475 1.390 1.00 1.73 O ATOM 115 CB LEU A 8 -16.034 3.331 2.934 1.00 1.63 C ATOM 116 CG LEU A 8 -14.689 3.318 2.193 1.00 1.56 C ATOM 117 CD1 LEU A 8 -14.552 2.042 1.369 1.00 1.55 C ATOM 118 CD2 LEU A 8 -14.430 4.551 1.322 1.00 1.55 C ATOM 0 H LEU A 8 -17.904 5.070 3.471 1.00 1.73 H new ATOM 0 HA LEU A 8 -16.903 3.757 1.015 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -15.987 4.070 3.734 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -16.184 2.360 3.406 1.00 1.63 H new ATOM 0 HG LEU A 8 -13.924 3.347 2.969 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -13.594 2.046 0.849 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -14.603 1.176 2.029 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -15.361 1.991 0.640 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -13.458 4.456 0.837 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -15.208 4.630 0.563 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -14.439 5.445 1.945 1.00 1.55 H new ATOM 130 N VAL A 9 -19.432 2.640 2.678 1.00 1.81 N ATOM 131 CA VAL A 9 -20.563 1.712 2.483 1.00 1.87 C ATOM 132 C VAL A 9 -21.223 1.993 1.124 1.00 1.92 C ATOM 133 O VAL A 9 -21.560 1.062 0.387 1.00 1.94 O ATOM 134 CB VAL A 9 -21.572 1.804 3.648 1.00 1.93 C ATOM 135 CG1 VAL A 9 -22.900 1.087 3.362 1.00 2.01 C ATOM 136 CG2 VAL A 9 -20.979 1.153 4.906 1.00 1.91 C ATOM 0 H VAL A 9 -19.619 3.393 3.340 1.00 1.81 H new ATOM 0 HA VAL A 9 -20.191 0.688 2.480 1.00 1.87 H new ATOM 0 HB VAL A 9 -21.768 2.868 3.784 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -23.562 1.191 4.222 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -23.371 1.530 2.485 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -22.710 0.030 3.176 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -21.696 1.222 5.724 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -20.758 0.105 4.704 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -20.061 1.670 5.185 1.00 1.91 H new ATOM 146 N ALA A 10 -21.317 3.270 0.738 1.00 1.93 N ATOM 147 CA ALA A 10 -21.718 3.647 -0.618 1.00 1.97 C ATOM 148 C ALA A 10 -20.721 3.145 -1.680 1.00 1.92 C ATOM 149 O ALA A 10 -21.148 2.541 -2.673 1.00 1.96 O ATOM 150 CB ALA A 10 -21.890 5.171 -0.673 1.00 1.99 C ATOM 0 H ALA A 10 -21.119 4.062 1.350 1.00 1.93 H new ATOM 0 HA ALA A 10 -22.667 3.166 -0.854 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -22.189 5.467 -1.678 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -22.657 5.476 0.039 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -20.946 5.653 -0.418 1.00 1.99 H new ATOM 156 N LEU A 11 -19.401 3.307 -1.452 1.00 1.84 N ATOM 157 CA LEU A 11 -18.409 2.650 -2.312 1.00 1.80 C ATOM 158 C LEU A 11 -18.551 1.131 -2.278 1.00 1.80 C ATOM 159 O LEU A 11 -18.502 0.534 -3.341 1.00 1.82 O ATOM 160 CB LEU A 11 -16.961 3.039 -1.985 1.00 1.71 C ATOM 161 CG LEU A 11 -15.934 2.339 -2.915 1.00 1.67 C ATOM 162 CD1 LEU A 11 -16.075 2.704 -4.394 1.00 1.71 C ATOM 163 CD2 LEU A 11 -14.519 2.714 -2.502 1.00 1.59 C ATOM 0 H LEU A 11 -19.010 3.873 -0.699 1.00 1.84 H new ATOM 0 HA LEU A 11 -18.623 3.011 -3.318 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -16.849 4.120 -2.074 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -16.744 2.780 -0.949 1.00 1.71 H new ATOM 0 HG LEU A 11 -16.135 1.273 -2.806 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -15.320 2.172 -4.974 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -17.068 2.422 -4.745 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -15.938 3.778 -4.518 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -13.805 2.219 -3.160 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -14.392 3.794 -2.577 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -14.345 2.398 -1.473 1.00 1.59 H new ATOM 175 N TYR A 12 -18.745 0.488 -1.123 1.00 1.80 N ATOM 176 CA TYR A 12 -18.910 -0.968 -1.045 1.00 1.81 C ATOM 177 C TYR A 12 -20.023 -1.462 -1.974 1.00 1.89 C ATOM 178 O TYR A 12 -19.794 -2.401 -2.738 1.00 1.89 O ATOM 179 CB TYR A 12 -19.152 -1.424 0.403 1.00 1.82 C ATOM 180 CG TYR A 12 -19.654 -2.851 0.537 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.895 -3.921 0.026 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.916 -3.099 1.117 1.00 1.94 C ATOM 183 CE1 TYR A 12 -19.399 -5.237 0.082 1.00 1.89 C ATOM 184 CE2 TYR A 12 -21.416 -4.412 1.184 1.00 1.99 C ATOM 185 CZ TYR A 12 -20.662 -5.486 0.663 1.00 1.96 C ATOM 186 OH TYR A 12 -21.151 -6.756 0.710 1.00 2.02 O ATOM 0 H TYR A 12 -18.792 0.959 -0.219 1.00 1.80 H new ATOM 0 HA TYR A 12 -17.978 -1.419 -1.386 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -18.222 -1.325 0.962 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.875 -0.753 0.866 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.925 -3.734 -0.410 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -21.499 -2.279 1.510 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -18.819 -6.055 -0.320 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -22.379 -4.599 1.635 1.00 1.99 H new ATOM 0 HH TYR A 12 -22.030 -6.752 1.143 1.00 2.02 H new ATOM 196 N LYS A 13 -21.181 -0.786 -1.985 1.00 1.95 N ATOM 197 CA LYS A 13 -22.235 -1.076 -2.966 1.00 2.03 C ATOM 198 C LYS A 13 -21.751 -0.848 -4.399 1.00 2.02 C ATOM 199 O LYS A 13 -21.782 -1.799 -5.188 1.00 2.05 O ATOM 200 CB LYS A 13 -23.506 -0.284 -2.614 1.00 2.10 C ATOM 201 CG LYS A 13 -24.695 -0.679 -3.506 1.00 2.18 C ATOM 202 CD LYS A 13 -25.986 0.082 -3.163 1.00 2.25 C ATOM 203 CE LYS A 13 -26.529 -0.282 -1.775 1.00 2.27 C ATOM 204 NZ LYS A 13 -27.823 0.398 -1.498 1.00 2.34 N ATOM 0 H LYS A 13 -21.410 -0.039 -1.329 1.00 1.95 H new ATOM 0 HA LYS A 13 -22.490 -2.135 -2.917 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.763 -0.457 -1.569 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -23.310 0.783 -2.722 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.437 -0.493 -4.549 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -24.875 -1.750 -3.408 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -25.795 1.154 -3.205 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -26.744 -0.136 -3.915 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.663 -1.362 -1.708 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.800 -0.003 -1.014 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -28.161 0.129 -0.552 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.689 1.429 -1.538 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -28.525 0.112 -2.210 1.00 2.34 H new ATOM 218 N TYR A 14 -21.246 0.343 -4.746 1.00 2.00 N ATOM 219 CA TYR A 14 -20.735 0.562 -6.107 1.00 2.00 C ATOM 220 C TYR A 14 -19.629 -0.407 -6.568 1.00 1.95 C ATOM 221 O TYR A 14 -19.666 -0.874 -7.703 1.00 1.99 O ATOM 222 CB TYR A 14 -20.257 2.018 -6.200 1.00 1.98 C ATOM 223 CG TYR A 14 -19.968 2.485 -7.614 1.00 2.01 C ATOM 224 CD1 TYR A 14 -21.036 2.868 -8.449 1.00 2.10 C ATOM 225 CD2 TYR A 14 -18.645 2.529 -8.098 1.00 1.96 C ATOM 226 CE1 TYR A 14 -20.787 3.292 -9.767 1.00 2.14 C ATOM 227 CE2 TYR A 14 -18.393 2.945 -9.421 1.00 1.99 C ATOM 228 CZ TYR A 14 -19.465 3.326 -10.259 1.00 2.09 C ATOM 229 OH TYR A 14 -19.219 3.693 -11.547 1.00 2.13 O ATOM 0 H TYR A 14 -21.180 1.149 -4.124 1.00 2.00 H new ATOM 0 HA TYR A 14 -21.558 0.356 -6.791 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -21.015 2.667 -5.762 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -19.355 2.132 -5.599 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -22.049 2.836 -8.076 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -17.825 2.244 -7.456 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -21.608 3.591 -10.402 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -17.380 2.973 -9.794 1.00 1.99 H new ATOM 0 HH TYR A 14 -18.254 3.662 -11.717 1.00 2.13 H new ATOM 239 N MET A 15 -18.668 -0.754 -5.707 1.00 1.88 N ATOM 240 CA MET A 15 -17.559 -1.637 -6.062 1.00 1.83 C ATOM 241 C MET A 15 -17.997 -3.107 -6.129 1.00 1.86 C ATOM 242 O MET A 15 -17.500 -3.846 -6.981 1.00 1.86 O ATOM 243 CB MET A 15 -16.318 -1.373 -5.201 1.00 1.74 C ATOM 244 CG MET A 15 -16.379 -1.899 -3.768 1.00 1.72 C ATOM 245 SD MET A 15 -15.065 -1.286 -2.670 1.00 1.62 S ATOM 246 CE MET A 15 -13.570 -1.589 -3.656 1.00 1.57 C ATOM 0 H MET A 15 -18.639 -0.428 -4.741 1.00 1.88 H new ATOM 0 HA MET A 15 -17.246 -1.395 -7.078 1.00 1.83 H new ATOM 0 HB2 MET A 15 -15.455 -1.819 -5.695 1.00 1.74 H new ATOM 0 HB3 MET A 15 -16.145 -0.297 -5.166 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.345 -1.632 -3.339 1.00 1.72 H new ATOM 0 HG3 MET A 15 -16.332 -2.988 -3.794 1.00 1.72 H new ATOM 0 HE1 MET A 15 -12.706 -1.163 -3.147 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.426 -2.663 -3.778 1.00 1.57 H new ATOM 0 HE3 MET A 15 -13.680 -1.124 -4.636 1.00 1.57 H new ATOM 256 N LYS A 16 -18.992 -3.533 -5.330 1.00 1.90 N ATOM 257 CA LYS A 16 -19.637 -4.844 -5.515 1.00 1.96 C ATOM 258 C LYS A 16 -20.377 -4.915 -6.859 1.00 2.03 C ATOM 259 O LYS A 16 -20.260 -5.912 -7.569 1.00 2.05 O ATOM 260 CB LYS A 16 -20.546 -5.135 -4.310 1.00 1.99 C ATOM 261 CG LYS A 16 -21.130 -6.553 -4.351 1.00 2.05 C ATOM 262 CD LYS A 16 -21.579 -6.999 -2.953 1.00 2.07 C ATOM 263 CE LYS A 16 -22.207 -8.395 -3.019 1.00 2.13 C ATOM 264 NZ LYS A 16 -22.333 -8.988 -1.665 1.00 2.15 N ATOM 0 H LYS A 16 -19.366 -2.989 -4.552 1.00 1.90 H new ATOM 0 HA LYS A 16 -18.879 -5.626 -5.556 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -19.978 -5.005 -3.389 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.359 -4.410 -4.288 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -21.977 -6.582 -5.036 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -20.384 -7.247 -4.737 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.726 -7.008 -2.275 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -22.299 -6.287 -2.550 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -23.190 -8.333 -3.485 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.596 -9.043 -3.648 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.852 -9.887 -1.727 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -21.386 -9.161 -1.272 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -22.850 -8.332 -1.045 1.00 2.15 H new ATOM 278 N GLU A 17 -21.012 -3.815 -7.270 1.00 2.07 N ATOM 279 CA GLU A 17 -21.567 -3.671 -8.635 1.00 2.13 C ATOM 280 C GLU A 17 -20.479 -3.501 -9.735 1.00 2.10 C ATOM 281 O GLU A 17 -20.801 -3.395 -10.921 1.00 2.16 O ATOM 282 CB GLU A 17 -22.572 -2.501 -8.619 1.00 2.18 C ATOM 283 CG GLU A 17 -23.604 -2.548 -9.755 1.00 2.27 C ATOM 284 CD GLU A 17 -24.690 -1.472 -9.559 1.00 2.33 C ATOM 285 OE1 GLU A 17 -24.520 -0.332 -10.056 1.00 2.34 O ATOM 286 OE2 GLU A 17 -25.732 -1.762 -8.922 1.00 2.37 O ATOM 0 H GLU A 17 -21.160 -2.999 -6.677 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.074 -4.597 -8.906 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -23.098 -2.500 -7.664 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -22.022 -1.562 -8.681 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -23.104 -2.396 -10.712 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -24.066 -3.534 -9.791 1.00 2.27 H new ATOM 293 N ARG A 18 -19.190 -3.498 -9.354 1.00 2.02 N ATOM 294 CA ARG A 18 -18.054 -3.471 -10.305 1.00 1.99 C ATOM 295 C ARG A 18 -17.148 -4.711 -10.176 1.00 1.95 C ATOM 296 O ARG A 18 -15.994 -4.692 -10.608 1.00 1.90 O ATOM 297 CB ARG A 18 -17.298 -2.119 -10.209 1.00 1.94 C ATOM 298 CG ARG A 18 -17.831 -1.050 -11.182 1.00 2.01 C ATOM 299 CD ARG A 18 -19.127 -0.367 -10.731 1.00 2.06 C ATOM 300 NE ARG A 18 -19.711 0.440 -11.817 1.00 2.13 N ATOM 301 CZ ARG A 18 -20.607 0.046 -12.708 1.00 2.22 C ATOM 302 NH1 ARG A 18 -21.107 -1.159 -12.727 1.00 2.24 N ATOM 303 NH2 ARG A 18 -21.017 0.875 -13.624 1.00 2.28 N ATOM 0 H ARG A 18 -18.901 -3.514 -8.376 1.00 2.02 H new ATOM 0 HA ARG A 18 -18.451 -3.533 -11.318 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -17.372 -1.741 -9.189 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -16.240 -2.288 -10.410 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -17.064 -0.289 -11.321 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -17.999 -1.514 -12.154 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -19.845 -1.121 -10.408 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -18.925 0.270 -9.870 1.00 2.06 H new ATOM 0 HE ARG A 18 -19.390 1.406 -11.890 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -20.809 -1.846 -12.034 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -21.796 -1.414 -13.435 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -20.648 1.825 -13.654 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -21.707 0.574 -14.312 1.00 2.28 H new ATOM 317 N LYS A 19 -17.670 -5.810 -9.602 1.00 1.97 N ATOM 318 CA LYS A 19 -17.019 -7.131 -9.445 1.00 1.95 C ATOM 319 C LYS A 19 -15.768 -7.062 -8.560 1.00 1.86 C ATOM 320 O LYS A 19 -14.895 -7.934 -8.615 1.00 1.84 O ATOM 321 CB LYS A 19 -16.769 -7.793 -10.821 1.00 1.99 C ATOM 322 CG LYS A 19 -18.048 -7.919 -11.668 1.00 2.09 C ATOM 323 CD LYS A 19 -17.757 -8.603 -13.010 1.00 2.13 C ATOM 324 CE LYS A 19 -19.038 -8.680 -13.851 1.00 2.22 C ATOM 325 NZ LYS A 19 -18.791 -9.314 -15.172 1.00 2.27 N ATOM 0 H LYS A 19 -18.612 -5.803 -9.211 1.00 1.97 H new ATOM 0 HA LYS A 19 -17.708 -7.784 -8.909 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -16.032 -7.208 -11.371 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -16.341 -8.784 -10.669 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -18.796 -8.491 -11.119 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -18.470 -6.930 -11.845 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -16.990 -8.048 -13.551 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -17.364 -9.605 -12.839 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -19.795 -9.249 -13.310 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -19.438 -7.677 -13.998 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -19.679 -9.349 -15.712 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -18.087 -8.757 -15.698 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -18.433 -10.280 -15.032 1.00 2.27 H new ATOM 339 N THR A 20 -15.716 -6.027 -7.717 1.00 1.82 N ATOM 340 CA THR A 20 -14.563 -5.760 -6.858 1.00 1.73 C ATOM 341 C THR A 20 -15.014 -5.392 -5.433 1.00 1.72 C ATOM 342 O THR A 20 -14.688 -4.309 -4.953 1.00 1.68 O ATOM 343 CB THR A 20 -13.633 -4.689 -7.486 1.00 1.69 C ATOM 344 OG1 THR A 20 -13.404 -4.945 -8.858 1.00 1.72 O ATOM 345 CG2 THR A 20 -12.238 -4.658 -6.852 1.00 1.61 C ATOM 0 H THR A 20 -16.473 -5.351 -7.612 1.00 1.82 H new ATOM 0 HA THR A 20 -13.974 -6.673 -6.777 1.00 1.73 H new ATOM 0 HB THR A 20 -14.156 -3.747 -7.318 1.00 1.69 H new ATOM 0 HG1 THR A 20 -14.230 -4.791 -9.362 1.00 1.72 H new ATOM 0 HG21 THR A 20 -11.636 -3.888 -7.335 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.326 -4.435 -5.789 1.00 1.61 H new ATOM 0 HG23 THR A 20 -11.758 -5.628 -6.981 1.00 1.61 H new ATOM 353 N PRO A 21 -15.820 -6.228 -4.741 1.00 1.76 N ATOM 354 CA PRO A 21 -16.309 -5.929 -3.389 1.00 1.76 C ATOM 355 C PRO A 21 -15.182 -5.903 -2.342 1.00 1.69 C ATOM 356 O PRO A 21 -14.144 -6.540 -2.511 1.00 1.66 O ATOM 357 CB PRO A 21 -17.318 -7.043 -3.082 1.00 1.84 C ATOM 358 CG PRO A 21 -16.798 -8.228 -3.891 1.00 1.85 C ATOM 359 CD PRO A 21 -16.269 -7.553 -5.153 1.00 1.82 C ATOM 0 HA PRO A 21 -16.753 -4.935 -3.345 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -17.354 -7.269 -2.016 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -18.328 -6.764 -3.383 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -16.015 -8.770 -3.361 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.587 -8.946 -4.114 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.449 -8.125 -5.587 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -17.047 -7.483 -5.913 1.00 1.82 H new ATOM 367 N ILE A 22 -15.428 -5.258 -1.195 1.00 1.68 N ATOM 368 CA ILE A 22 -14.528 -5.361 -0.017 1.00 1.64 C ATOM 369 C ILE A 22 -14.406 -6.830 0.467 1.00 1.67 C ATOM 370 O ILE A 22 -13.404 -7.234 1.048 1.00 1.64 O ATOM 371 CB ILE A 22 -14.997 -4.367 1.080 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.856 -2.925 0.549 1.00 1.61 C ATOM 373 CG2 ILE A 22 -14.214 -4.535 2.397 1.00 1.61 C ATOM 374 CD1 ILE A 22 -15.359 -1.828 1.494 1.00 1.62 C ATOM 0 H ILE A 22 -16.239 -4.657 -1.048 1.00 1.68 H new ATOM 0 HA ILE A 22 -13.514 -5.071 -0.293 1.00 1.64 H new ATOM 0 HB ILE A 22 -16.041 -4.582 1.307 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.805 -2.738 0.328 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -15.399 -2.847 -0.393 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -14.579 -3.817 3.132 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -14.354 -5.547 2.777 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -13.154 -4.360 2.215 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -15.216 -0.853 1.029 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -16.419 -1.981 1.697 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -14.801 -1.869 2.429 1.00 1.62 H new ATOM 386 N GLU A 23 -15.408 -7.645 0.117 1.00 1.74 N ATOM 387 CA GLU A 23 -15.347 -9.112 0.270 1.00 1.78 C ATOM 388 C GLU A 23 -14.127 -9.802 -0.406 1.00 1.75 C ATOM 389 O GLU A 23 -13.845 -10.960 -0.081 1.00 1.78 O ATOM 390 CB GLU A 23 -16.660 -9.760 -0.205 1.00 1.87 C ATOM 391 CG GLU A 23 -17.881 -9.289 0.595 1.00 1.91 C ATOM 392 CD GLU A 23 -19.141 -10.069 0.182 1.00 2.00 C ATOM 393 OE1 GLU A 23 -19.793 -9.682 -0.817 1.00 2.02 O ATOM 394 OE2 GLU A 23 -19.492 -11.071 0.852 1.00 2.06 O ATOM 0 H GLU A 23 -16.286 -7.311 -0.281 1.00 1.74 H new ATOM 0 HA GLU A 23 -15.208 -9.275 1.339 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.812 -9.530 -1.260 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -16.575 -10.844 -0.124 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -17.697 -9.425 1.661 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -18.039 -8.223 0.432 1.00 1.91 H new ATOM 401 N ARG A 24 -13.361 -9.115 -1.280 1.00 1.69 N ATOM 402 CA ARG A 24 -12.064 -9.581 -1.835 1.00 1.65 C ATOM 403 C ARG A 24 -10.843 -8.752 -1.376 1.00 1.57 C ATOM 404 O ARG A 24 -9.746 -8.911 -1.913 1.00 1.53 O ATOM 405 CB ARG A 24 -12.160 -9.765 -3.369 1.00 1.67 C ATOM 406 CG ARG A 24 -11.894 -8.508 -4.223 1.00 1.62 C ATOM 407 CD ARG A 24 -12.298 -8.701 -5.694 1.00 1.67 C ATOM 408 NE ARG A 24 -11.481 -9.720 -6.380 1.00 1.67 N ATOM 409 CZ ARG A 24 -11.635 -10.159 -7.620 1.00 1.72 C ATOM 410 NH1 ARG A 24 -12.575 -9.730 -8.417 1.00 1.77 N ATOM 411 NH2 ARG A 24 -10.823 -11.059 -8.095 1.00 1.72 N ATOM 0 H ARG A 24 -13.631 -8.196 -1.631 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.869 -10.563 -1.405 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -11.451 -10.538 -3.667 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -13.156 -10.137 -3.608 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -12.445 -7.665 -3.805 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -10.835 -8.254 -4.170 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -13.348 -8.990 -5.743 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.204 -7.751 -6.220 1.00 1.67 H new ATOM 0 HE ARG A 24 -10.717 -10.130 -5.843 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.235 -9.023 -8.093 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -12.650 -10.102 -9.364 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -10.070 -11.425 -7.512 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -10.940 -11.398 -9.050 1.00 1.72 H new ATOM 425 N ILE A 25 -11.021 -7.897 -0.365 1.00 1.55 N ATOM 426 CA ILE A 25 -10.026 -6.968 0.204 1.00 1.48 C ATOM 427 C ILE A 25 -9.991 -7.168 1.741 1.00 1.49 C ATOM 428 O ILE A 25 -10.565 -6.375 2.494 1.00 1.50 O ATOM 429 CB ILE A 25 -10.321 -5.500 -0.210 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.659 -5.337 -1.713 1.00 1.46 C ATOM 431 CG2 ILE A 25 -9.086 -4.647 0.140 1.00 1.37 C ATOM 432 CD1 ILE A 25 -11.047 -3.908 -2.114 1.00 1.45 C ATOM 0 H ILE A 25 -11.920 -7.826 0.112 1.00 1.55 H new ATOM 0 HA ILE A 25 -9.036 -7.187 -0.195 1.00 1.48 H new ATOM 0 HB ILE A 25 -11.206 -5.172 0.336 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.798 -5.648 -2.304 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -11.479 -6.010 -1.966 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -9.268 -3.610 -0.142 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.896 -4.704 1.212 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -8.219 -5.023 -0.402 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -11.269 -3.877 -3.181 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -11.928 -3.599 -1.551 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -10.221 -3.232 -1.895 1.00 1.45 H new ATOM 444 N PRO A 26 -9.501 -8.336 2.190 1.00 1.53 N ATOM 445 CA PRO A 26 -9.569 -8.747 3.607 1.00 1.57 C ATOM 446 C PRO A 26 -8.687 -8.052 4.648 1.00 1.52 C ATOM 447 O PRO A 26 -9.137 -7.883 5.783 1.00 1.50 O ATOM 448 CB PRO A 26 -9.230 -10.238 3.548 1.00 1.62 C ATOM 449 CG PRO A 26 -8.385 -10.399 2.337 1.00 1.59 C ATOM 450 CD PRO A 26 -8.858 -9.366 1.350 1.00 1.55 C ATOM 0 HA PRO A 26 -10.554 -8.464 3.978 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -8.698 -10.556 4.444 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -10.133 -10.845 3.481 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -7.331 -10.254 2.576 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -8.483 -11.403 1.925 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -8.028 -8.952 0.777 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -9.560 -9.791 0.633 1.00 1.55 H new ATOM 458 N TYR A 27 -7.471 -7.640 4.328 1.00 1.52 N ATOM 459 CA TYR A 27 -6.632 -7.061 5.383 1.00 1.49 C ATOM 460 C TYR A 27 -5.938 -5.748 5.027 1.00 1.38 C ATOM 461 O TYR A 27 -6.015 -5.248 3.906 1.00 1.34 O ATOM 462 CB TYR A 27 -5.554 -8.069 5.798 1.00 1.61 C ATOM 463 CG TYR A 27 -6.067 -9.292 6.525 1.00 1.65 C ATOM 464 CD1 TYR A 27 -6.681 -9.183 7.768 1.00 1.91 C ATOM 465 CD2 TYR A 27 -5.950 -10.557 5.961 1.00 1.76 C ATOM 466 CE1 TYR A 27 -7.161 -10.297 8.425 1.00 2.21 C ATOM 467 CE2 TYR A 27 -6.426 -11.677 6.615 1.00 2.09 C ATOM 468 CZ TYR A 27 -6.990 -11.541 7.874 1.00 2.29 C ATOM 469 OH TYR A 27 -7.509 -12.654 8.502 1.00 2.75 O ATOM 0 H TYR A 27 -7.052 -7.687 3.399 1.00 1.52 H new ATOM 0 HA TYR A 27 -7.327 -6.833 6.191 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -5.019 -8.393 4.906 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -4.831 -7.562 6.437 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -6.784 -8.211 8.226 1.00 1.91 H new ATOM 0 HD2 TYR A 27 -5.479 -10.666 4.995 1.00 1.76 H new ATOM 0 HE1 TYR A 27 -7.670 -10.190 9.371 1.00 2.21 H new ATOM 0 HE2 TYR A 27 -6.359 -12.649 6.150 1.00 2.09 H new ATOM 0 HH TYR A 27 -7.298 -13.454 7.977 1.00 2.75 H new ATOM 479 N LEU A 28 -5.283 -5.202 6.061 1.00 1.39 N ATOM 480 CA LEU A 28 -4.478 -3.985 5.986 1.00 1.35 C ATOM 481 C LEU A 28 -3.090 -4.336 6.531 1.00 1.35 C ATOM 482 O LEU A 28 -2.974 -5.275 7.322 1.00 1.38 O ATOM 483 CB LEU A 28 -5.111 -2.852 6.801 1.00 1.42 C ATOM 484 CG LEU A 28 -4.252 -1.598 6.956 1.00 1.37 C ATOM 485 CD1 LEU A 28 -4.337 -0.707 5.724 1.00 1.58 C ATOM 486 CD2 LEU A 28 -4.657 -0.829 8.202 1.00 1.77 C ATOM 0 H LEU A 28 -5.302 -5.609 6.996 1.00 1.39 H new ATOM 0 HA LEU A 28 -4.414 -3.631 4.957 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -6.053 -2.571 6.330 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -5.352 -3.232 7.794 1.00 1.42 H new ATOM 0 HG LEU A 28 -3.215 -1.915 7.062 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -3.714 0.175 5.869 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -3.987 -1.258 4.851 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -5.371 -0.399 5.568 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -4.036 0.061 8.298 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -5.704 -0.535 8.124 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -4.523 -1.461 9.080 1.00 1.77 H new ATOM 498 N GLY A 29 -2.051 -3.569 6.161 1.00 1.36 N ATOM 499 CA GLY A 29 -0.688 -3.900 6.574 1.00 1.41 C ATOM 500 C GLY A 29 -0.503 -4.225 8.055 1.00 1.47 C ATOM 501 O GLY A 29 0.039 -5.281 8.382 1.00 1.53 O ATOM 0 H GLY A 29 -2.131 -2.730 5.586 1.00 1.36 H new ATOM 0 HA2 GLY A 29 -0.348 -4.755 5.989 1.00 1.41 H new ATOM 0 HA3 GLY A 29 -0.038 -3.062 6.321 1.00 1.41 H new ATOM 505 N PHE A 30 -0.952 -3.347 8.945 1.00 1.52 N ATOM 506 CA PHE A 30 -0.798 -3.574 10.390 1.00 1.61 C ATOM 507 C PHE A 30 -2.074 -4.103 11.063 1.00 1.61 C ATOM 508 O PHE A 30 -2.007 -4.985 11.920 1.00 1.66 O ATOM 509 CB PHE A 30 -0.324 -2.281 11.071 1.00 1.76 C ATOM 510 CG PHE A 30 -0.031 -2.427 12.546 1.00 1.83 C ATOM 511 CD1 PHE A 30 1.089 -3.118 12.981 1.00 2.24 C ATOM 512 CD2 PHE A 30 -0.880 -1.878 13.497 1.00 2.34 C ATOM 513 CE1 PHE A 30 1.357 -3.258 14.332 1.00 2.87 C ATOM 514 CE2 PHE A 30 -0.617 -2.016 14.848 1.00 2.75 C ATOM 515 CZ PHE A 30 0.511 -2.688 15.266 1.00 2.93 C ATOM 0 H PHE A 30 -1.423 -2.476 8.701 1.00 1.52 H new ATOM 0 HA PHE A 30 -0.047 -4.355 10.511 1.00 1.61 H new ATOM 0 HB2 PHE A 30 0.575 -1.927 10.567 1.00 1.76 H new ATOM 0 HB3 PHE A 30 -1.086 -1.514 10.938 1.00 1.76 H new ATOM 0 HD1 PHE A 30 1.762 -3.553 12.256 1.00 2.24 H new ATOM 0 HD2 PHE A 30 -1.758 -1.336 13.178 1.00 2.34 H new ATOM 0 HE1 PHE A 30 2.226 -3.812 14.656 1.00 2.87 H new ATOM 0 HE2 PHE A 30 -1.296 -1.597 15.576 1.00 2.75 H new ATOM 0 HZ PHE A 30 0.734 -2.769 16.320 1.00 2.93 H new ATOM 525 N LYS A 31 -3.233 -3.576 10.658 1.00 1.61 N ATOM 526 CA LYS A 31 -4.516 -3.934 11.287 1.00 1.66 C ATOM 527 C LYS A 31 -5.598 -4.327 10.274 1.00 1.60 C ATOM 528 O LYS A 31 -5.300 -4.639 9.128 1.00 1.53 O ATOM 529 CB LYS A 31 -5.010 -2.756 12.124 1.00 1.73 C ATOM 530 CG LYS A 31 -4.449 -2.714 13.535 1.00 1.80 C ATOM 531 CD LYS A 31 -4.771 -1.386 14.200 1.00 2.09 C ATOM 532 CE LYS A 31 -4.449 -1.400 15.684 1.00 2.48 C ATOM 533 NZ LYS A 31 -4.679 -0.066 16.309 1.00 3.02 N ATOM 0 H LYS A 31 -3.313 -2.900 9.898 1.00 1.61 H new ATOM 0 HA LYS A 31 -4.333 -4.809 11.910 1.00 1.66 H new ATOM 0 HB2 LYS A 31 -4.750 -1.828 11.614 1.00 1.73 H new ATOM 0 HB3 LYS A 31 -6.098 -2.795 12.179 1.00 1.73 H new ATOM 0 HG2 LYS A 31 -4.867 -3.532 14.123 1.00 1.80 H new ATOM 0 HG3 LYS A 31 -3.369 -2.860 13.507 1.00 1.80 H new ATOM 0 HD2 LYS A 31 -4.206 -0.591 13.714 1.00 2.09 H new ATOM 0 HD3 LYS A 31 -5.828 -1.157 14.060 1.00 2.09 H new ATOM 0 HE2 LYS A 31 -5.065 -2.147 16.183 1.00 2.48 H new ATOM 0 HE3 LYS A 31 -3.410 -1.696 15.828 1.00 2.48 H new ATOM 0 HZ1 LYS A 31 -4.449 -0.113 17.322 1.00 3.02 H new ATOM 0 HZ2 LYS A 31 -4.072 0.642 15.849 1.00 3.02 H new ATOM 0 HZ3 LYS A 31 -5.676 0.205 16.193 1.00 3.02 H new ATOM 547 N GLN A 32 -6.863 -4.377 10.745 1.00 1.67 N ATOM 548 CA GLN A 32 -8.016 -4.699 9.889 1.00 1.66 C ATOM 549 C GLN A 32 -8.095 -3.652 8.761 1.00 1.58 C ATOM 550 O GLN A 32 -7.367 -2.663 8.804 1.00 1.55 O ATOM 551 CB GLN A 32 -9.313 -4.708 10.720 1.00 1.78 C ATOM 552 CG GLN A 32 -10.483 -5.411 10.038 1.00 1.93 C ATOM 553 CD GLN A 32 -11.720 -5.498 10.917 1.00 2.33 C ATOM 554 OE1 GLN A 32 -12.553 -4.587 10.937 1.00 2.95 O ATOM 555 NE2 GLN A 32 -11.857 -6.609 11.635 1.00 2.75 N ATOM 0 H GLN A 32 -7.108 -4.197 11.719 1.00 1.67 H new ATOM 0 HA GLN A 32 -7.894 -5.692 9.456 1.00 1.66 H new ATOM 0 HB2 GLN A 32 -9.117 -5.195 11.675 1.00 1.78 H new ATOM 0 HB3 GLN A 32 -9.599 -3.679 10.940 1.00 1.78 H new ATOM 0 HG2 GLN A 32 -10.733 -4.879 9.120 1.00 1.93 H new ATOM 0 HG3 GLN A 32 -10.177 -6.417 9.751 1.00 1.93 H new ATOM 0 HE21 GLN A 32 -11.144 -7.337 11.589 1.00 2.75 H new ATOM 0 HE22 GLN A 32 -12.675 -6.733 12.232 1.00 2.75 H new ATOM 564 N ILE A 33 -8.986 -3.835 7.778 1.00 1.56 N ATOM 565 CA ILE A 33 -9.051 -2.919 6.627 1.00 1.51 C ATOM 566 C ILE A 33 -9.152 -1.436 7.032 1.00 1.50 C ATOM 567 O ILE A 33 -8.347 -0.637 6.548 1.00 1.47 O ATOM 568 CB ILE A 33 -10.234 -3.284 5.684 1.00 1.53 C ATOM 569 CG1 ILE A 33 -10.267 -2.368 4.456 1.00 1.90 C ATOM 570 CG2 ILE A 33 -11.567 -3.236 6.419 1.00 2.04 C ATOM 571 CD1 ILE A 33 -9.067 -2.535 3.551 1.00 2.36 C ATOM 0 H ILE A 33 -9.664 -4.597 7.754 1.00 1.56 H new ATOM 0 HA ILE A 33 -8.107 -3.047 6.097 1.00 1.51 H new ATOM 0 HB ILE A 33 -10.072 -4.307 5.344 1.00 1.53 H new ATOM 0 HG12 ILE A 33 -11.174 -2.569 3.886 1.00 1.90 H new ATOM 0 HG13 ILE A 33 -10.322 -1.331 4.787 1.00 1.90 H new ATOM 0 HG21 ILE A 33 -12.371 -3.496 5.731 1.00 2.04 H new ATOM 0 HG22 ILE A 33 -11.553 -3.946 7.246 1.00 2.04 H new ATOM 0 HG23 ILE A 33 -11.732 -2.231 6.807 1.00 2.04 H new ATOM 0 HD11 ILE A 33 -9.155 -1.857 2.702 1.00 2.36 H new ATOM 0 HD12 ILE A 33 -8.158 -2.305 4.106 1.00 2.36 H new ATOM 0 HD13 ILE A 33 -9.023 -3.563 3.191 1.00 2.36 H new ATOM 583 N ASN A 34 -10.088 -1.099 7.944 1.00 1.56 N ATOM 584 CA ASN A 34 -10.303 0.286 8.436 1.00 1.58 C ATOM 585 C ASN A 34 -9.845 1.353 7.427 1.00 1.57 C ATOM 586 O ASN A 34 -8.730 1.872 7.520 1.00 1.91 O ATOM 587 CB ASN A 34 -9.593 0.487 9.782 1.00 1.60 C ATOM 588 CG ASN A 34 -10.173 -0.387 10.882 1.00 1.73 C ATOM 589 OD1 ASN A 34 -9.690 -1.492 11.134 1.00 2.14 O ATOM 590 ND2 ASN A 34 -11.217 0.104 11.544 1.00 2.10 N ATOM 0 H ASN A 34 -10.721 -1.780 8.364 1.00 1.56 H new ATOM 0 HA ASN A 34 -11.378 0.414 8.567 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -8.532 0.264 9.667 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -9.669 1.534 10.076 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -11.648 -0.439 12.292 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -11.586 1.024 11.304 1.00 2.10 H new ATOM 597 N LEU A 35 -10.719 1.673 6.471 1.00 1.38 N ATOM 598 CA LEU A 35 -10.408 2.638 5.405 1.00 1.34 C ATOM 599 C LEU A 35 -10.136 4.062 5.914 1.00 1.32 C ATOM 600 O LEU A 35 -9.132 4.668 5.544 1.00 1.28 O ATOM 601 CB LEU A 35 -11.558 2.667 4.385 1.00 1.40 C ATOM 602 CG LEU A 35 -11.262 3.370 3.050 1.00 1.43 C ATOM 603 CD1 LEU A 35 -11.372 4.878 3.192 1.00 1.47 C ATOM 604 CD2 LEU A 35 -9.889 2.988 2.523 1.00 1.52 C ATOM 0 H LEU A 35 -11.657 1.276 6.410 1.00 1.38 H new ATOM 0 HA LEU A 35 -9.483 2.296 4.941 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -11.854 1.640 4.173 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -12.415 3.157 4.848 1.00 1.40 H new ATOM 0 HG LEU A 35 -12.010 3.037 2.330 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -11.158 5.350 2.233 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -12.381 5.141 3.509 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -10.656 5.227 3.936 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -9.707 3.500 1.578 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -9.128 3.279 3.246 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -9.846 1.910 2.366 1.00 1.52 H new ATOM 616 N TRP A 36 -11.036 4.595 6.738 1.00 1.37 N ATOM 617 CA TRP A 36 -10.916 5.970 7.247 1.00 1.37 C ATOM 618 C TRP A 36 -9.528 6.278 7.872 1.00 1.32 C ATOM 619 O TRP A 36 -9.048 7.406 7.781 1.00 1.31 O ATOM 620 CB TRP A 36 -12.036 6.263 8.258 1.00 1.45 C ATOM 621 CG TRP A 36 -12.036 5.359 9.454 1.00 1.50 C ATOM 622 CD1 TRP A 36 -12.266 4.012 9.470 1.00 1.55 C ATOM 623 CD2 TRP A 36 -11.813 5.746 10.814 1.00 1.53 C ATOM 624 NE1 TRP A 36 -12.176 3.537 10.754 1.00 1.61 N ATOM 625 CE2 TRP A 36 -11.901 4.582 11.597 1.00 1.60 C ATOM 626 CE3 TRP A 36 -11.537 6.963 11.441 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -11.727 4.601 12.979 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -11.367 6.982 12.813 1.00 1.61 C ATOM 629 CH2 TRP A 36 -11.459 5.807 13.568 1.00 1.66 C ATOM 0 H TRP A 36 -11.862 4.097 7.072 1.00 1.37 H new ATOM 0 HA TRP A 36 -11.017 6.629 6.385 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -11.944 7.295 8.597 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -12.998 6.178 7.752 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -12.486 3.410 8.601 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -12.295 2.564 11.036 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -11.458 7.873 10.865 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -11.801 3.697 13.565 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -11.160 7.918 13.310 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -11.316 5.853 14.637 1.00 1.66 H new ATOM 640 N THR A 37 -8.896 5.273 8.495 1.00 1.32 N ATOM 641 CA THR A 37 -7.573 5.414 9.134 1.00 1.29 C ATOM 642 C THR A 37 -6.435 5.504 8.112 1.00 1.23 C ATOM 643 O THR A 37 -5.639 6.437 8.195 1.00 1.21 O ATOM 644 CB THR A 37 -7.293 4.265 10.116 1.00 1.34 C ATOM 645 OG1 THR A 37 -8.272 4.249 11.132 1.00 1.41 O ATOM 646 CG2 THR A 37 -5.949 4.397 10.835 1.00 1.35 C ATOM 0 H THR A 37 -9.287 4.334 8.572 1.00 1.32 H new ATOM 0 HA THR A 37 -7.607 6.353 9.686 1.00 1.29 H new ATOM 0 HB THR A 37 -7.296 3.360 9.509 1.00 1.34 H new ATOM 0 HG1 THR A 37 -8.088 3.513 11.752 1.00 1.41 H new ATOM 0 HG21 THR A 37 -5.815 3.554 11.513 1.00 1.35 H new ATOM 0 HG22 THR A 37 -5.143 4.405 10.101 1.00 1.35 H new ATOM 0 HG23 THR A 37 -5.931 5.326 11.404 1.00 1.35 H new ATOM 654 N MET A 38 -6.352 4.606 7.119 1.00 1.20 N ATOM 655 CA MET A 38 -5.338 4.751 6.051 1.00 1.15 C ATOM 656 C MET A 38 -5.547 6.031 5.221 1.00 1.13 C ATOM 657 O MET A 38 -4.579 6.631 4.759 1.00 1.11 O ATOM 658 CB MET A 38 -5.226 3.508 5.151 1.00 1.14 C ATOM 659 CG MET A 38 -6.510 3.121 4.413 1.00 1.17 C ATOM 660 SD MET A 38 -6.242 2.176 2.888 1.00 1.17 S ATOM 661 CE MET A 38 -7.221 0.684 3.207 1.00 1.25 C ATOM 0 H MET A 38 -6.956 3.789 7.028 1.00 1.20 H new ATOM 0 HA MET A 38 -4.382 4.846 6.565 1.00 1.15 H new ATOM 0 HB2 MET A 38 -4.441 3.681 4.415 1.00 1.14 H new ATOM 0 HB3 MET A 38 -4.909 2.663 5.763 1.00 1.14 H new ATOM 0 HG2 MET A 38 -7.138 2.534 5.084 1.00 1.17 H new ATOM 0 HG3 MET A 38 -7.063 4.029 4.171 1.00 1.17 H new ATOM 0 HE1 MET A 38 -7.325 0.113 2.284 1.00 1.25 H new ATOM 0 HE2 MET A 38 -6.719 0.073 3.957 1.00 1.25 H new ATOM 0 HE3 MET A 38 -8.208 0.968 3.572 1.00 1.25 H new ATOM 671 N PHE A 39 -6.802 6.480 5.094 1.00 1.17 N ATOM 672 CA PHE A 39 -7.119 7.768 4.482 1.00 1.19 C ATOM 673 C PHE A 39 -6.557 8.944 5.281 1.00 1.20 C ATOM 674 O PHE A 39 -5.718 9.673 4.755 1.00 1.20 O ATOM 675 CB PHE A 39 -8.626 7.916 4.271 1.00 1.25 C ATOM 676 CG PHE A 39 -8.995 9.262 3.673 1.00 1.30 C ATOM 677 CD1 PHE A 39 -8.577 9.587 2.367 1.00 1.30 C ATOM 678 CD2 PHE A 39 -9.710 10.209 4.432 1.00 1.36 C ATOM 679 CE1 PHE A 39 -8.885 10.841 1.814 1.00 1.37 C ATOM 680 CE2 PHE A 39 -10.005 11.471 3.885 1.00 1.43 C ATOM 681 CZ PHE A 39 -9.590 11.788 2.579 1.00 1.44 C ATOM 0 H PHE A 39 -7.620 5.960 5.412 1.00 1.17 H new ATOM 0 HA PHE A 39 -6.632 7.787 3.507 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -8.979 7.120 3.615 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -9.138 7.792 5.225 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -8.017 8.868 1.788 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -10.032 9.966 5.434 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -8.582 11.077 0.805 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -10.551 12.197 4.469 1.00 1.43 H new ATOM 0 HZ PHE A 39 -9.813 12.759 2.163 1.00 1.44 H new ATOM 691 N GLN A 40 -6.944 9.130 6.553 1.00 1.24 N ATOM 692 CA GLN A 40 -6.406 10.263 7.329 1.00 1.27 C ATOM 693 C GLN A 40 -4.877 10.178 7.529 1.00 1.25 C ATOM 694 O GLN A 40 -4.213 11.213 7.587 1.00 1.28 O ATOM 695 CB GLN A 40 -7.175 10.430 8.652 1.00 1.33 C ATOM 696 CG GLN A 40 -6.839 9.352 9.691 1.00 1.33 C ATOM 697 CD GLN A 40 -7.878 9.275 10.803 1.00 1.39 C ATOM 698 OE1 GLN A 40 -7.703 9.779 11.904 1.00 1.44 O ATOM 699 NE2 GLN A 40 -8.992 8.623 10.553 1.00 1.40 N ATOM 0 H GLN A 40 -7.604 8.535 7.054 1.00 1.24 H new ATOM 0 HA GLN A 40 -6.565 11.168 6.743 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -6.953 11.411 9.072 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -8.245 10.406 8.447 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -6.768 8.383 9.196 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -5.861 9.561 10.125 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -9.141 8.201 9.636 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -9.707 8.539 11.276 1.00 1.40 H new ATOM 708 N ALA A 41 -4.303 8.968 7.546 1.00 1.21 N ATOM 709 CA ALA A 41 -2.856 8.767 7.501 1.00 1.20 C ATOM 710 C ALA A 41 -2.249 9.287 6.189 1.00 1.18 C ATOM 711 O ALA A 41 -1.354 10.130 6.227 1.00 1.21 O ATOM 712 CB ALA A 41 -2.546 7.283 7.719 1.00 1.18 C ATOM 0 H ALA A 41 -4.835 8.099 7.592 1.00 1.21 H new ATOM 0 HA ALA A 41 -2.395 9.346 8.301 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -1.468 7.128 7.686 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -2.928 6.970 8.691 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -3.021 6.693 6.935 1.00 1.18 H new ATOM 718 N ALA A 42 -2.767 8.878 5.028 1.00 1.14 N ATOM 719 CA ALA A 42 -2.330 9.398 3.732 1.00 1.14 C ATOM 720 C ALA A 42 -2.476 10.925 3.631 1.00 1.20 C ATOM 721 O ALA A 42 -1.587 11.585 3.110 1.00 1.23 O ATOM 722 CB ALA A 42 -3.098 8.687 2.611 1.00 1.11 C ATOM 0 H ALA A 42 -3.503 8.175 4.961 1.00 1.14 H new ATOM 0 HA ALA A 42 -1.265 9.190 3.626 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -2.773 9.074 1.645 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -2.901 7.616 2.658 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -4.166 8.865 2.732 1.00 1.11 H new ATOM 728 N GLN A 43 -3.547 11.497 4.191 1.00 1.23 N ATOM 729 CA GLN A 43 -3.767 12.949 4.172 1.00 1.31 C ATOM 730 C GLN A 43 -2.766 13.708 5.067 1.00 1.35 C ATOM 731 O GLN A 43 -2.456 14.869 4.791 1.00 1.42 O ATOM 732 CB GLN A 43 -5.221 13.285 4.548 1.00 1.35 C ATOM 733 CG GLN A 43 -6.261 12.788 3.523 1.00 1.35 C ATOM 734 CD GLN A 43 -6.027 13.296 2.098 1.00 1.38 C ATOM 735 OE1 GLN A 43 -5.817 14.475 1.850 1.00 1.45 O ATOM 736 NE2 GLN A 43 -6.035 12.429 1.107 1.00 1.35 N ATOM 0 H GLN A 43 -4.281 10.973 4.667 1.00 1.23 H new ATOM 0 HA GLN A 43 -3.589 13.288 3.151 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -5.445 12.847 5.520 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -5.318 14.365 4.655 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -6.254 11.698 3.514 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -7.254 13.098 3.849 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -6.208 11.442 1.295 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -5.868 12.745 0.152 1.00 1.35 H new ATOM 745 N LYS A 44 -2.203 13.035 6.081 1.00 1.33 N ATOM 746 CA LYS A 44 -1.100 13.591 6.884 1.00 1.39 C ATOM 747 C LYS A 44 0.231 13.460 6.145 1.00 1.39 C ATOM 748 O LYS A 44 0.969 14.438 6.023 1.00 1.45 O ATOM 749 CB LYS A 44 -1.082 12.883 8.250 1.00 1.39 C ATOM 750 CG LYS A 44 -0.134 13.564 9.248 1.00 1.47 C ATOM 751 CD LYS A 44 -0.018 12.796 10.572 1.00 1.49 C ATOM 752 CE LYS A 44 -1.379 12.569 11.246 1.00 1.49 C ATOM 753 NZ LYS A 44 -1.212 11.976 12.595 1.00 1.53 N ATOM 0 H LYS A 44 -2.494 12.100 6.367 1.00 1.33 H new ATOM 0 HA LYS A 44 -1.255 14.658 7.047 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -2.091 12.869 8.663 1.00 1.39 H new ATOM 0 HB3 LYS A 44 -0.778 11.845 8.115 1.00 1.39 H new ATOM 0 HG2 LYS A 44 0.855 13.657 8.799 1.00 1.47 H new ATOM 0 HG3 LYS A 44 -0.489 14.575 9.449 1.00 1.47 H new ATOM 0 HD2 LYS A 44 0.457 11.832 10.388 1.00 1.49 H new ATOM 0 HD3 LYS A 44 0.632 13.347 11.251 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -1.912 13.516 11.325 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -1.989 11.910 10.628 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -2.141 11.692 12.967 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 -0.594 11.142 12.533 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 -0.784 12.678 13.232 1.00 1.53 H new ATOM 767 N LEU A 45 0.483 12.276 5.585 1.00 1.32 N ATOM 768 CA LEU A 45 1.648 12.033 4.724 1.00 1.32 C ATOM 769 C LEU A 45 1.550 12.686 3.304 1.00 1.34 C ATOM 770 O LEU A 45 2.373 12.378 2.439 1.00 1.34 O ATOM 771 CB LEU A 45 1.974 10.508 4.717 1.00 1.27 C ATOM 772 CG LEU A 45 2.585 9.849 5.992 1.00 1.30 C ATOM 773 CD1 LEU A 45 3.723 10.681 6.585 1.00 1.39 C ATOM 774 CD2 LEU A 45 1.585 9.568 7.110 1.00 1.29 C ATOM 0 H LEU A 45 -0.112 11.458 5.713 1.00 1.32 H new ATOM 0 HA LEU A 45 2.503 12.556 5.154 1.00 1.32 H new ATOM 0 HB2 LEU A 45 1.051 9.977 4.485 1.00 1.27 H new ATOM 0 HB3 LEU A 45 2.663 10.325 3.892 1.00 1.27 H new ATOM 0 HG LEU A 45 2.955 8.893 5.622 1.00 1.30 H new ATOM 0 HD11 LEU A 45 4.116 10.181 7.471 1.00 1.39 H new ATOM 0 HD12 LEU A 45 4.518 10.789 5.847 1.00 1.39 H new ATOM 0 HD13 LEU A 45 3.348 11.666 6.861 1.00 1.39 H new ATOM 0 HD21 LEU A 45 2.102 9.110 7.954 1.00 1.29 H new ATOM 0 HD22 LEU A 45 1.125 10.503 7.430 1.00 1.29 H new ATOM 0 HD23 LEU A 45 0.813 8.890 6.746 1.00 1.29 H new ATOM 786 N GLY A 46 0.592 13.604 3.066 1.00 1.36 N ATOM 787 CA GLY A 46 0.612 14.458 1.848 1.00 1.42 C ATOM 788 C GLY A 46 -0.363 14.097 0.708 1.00 1.40 C ATOM 789 O GLY A 46 -0.124 14.423 -0.459 1.00 1.44 O ATOM 0 H GLY A 46 -0.198 13.777 3.688 1.00 1.36 H new ATOM 0 HA2 GLY A 46 0.407 15.484 2.153 1.00 1.42 H new ATOM 0 HA3 GLY A 46 1.624 14.442 1.443 1.00 1.42 H new ATOM 793 N GLY A 47 -1.451 13.422 1.071 1.00 1.34 N ATOM 794 CA GLY A 47 -2.378 12.808 0.123 1.00 1.32 C ATOM 795 C GLY A 47 -1.737 11.742 -0.769 1.00 1.28 C ATOM 796 O GLY A 47 -0.517 11.560 -0.801 1.00 1.27 O ATOM 0 H GLY A 47 -1.717 13.284 2.046 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -3.202 12.357 0.676 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -2.806 13.587 -0.508 1.00 1.32 H new ATOM 800 N TYR A 48 -2.578 11.064 -1.554 1.00 1.27 N ATOM 801 CA TYR A 48 -2.106 10.146 -2.601 1.00 1.26 C ATOM 802 C TYR A 48 -1.092 10.784 -3.578 1.00 1.32 C ATOM 803 O TYR A 48 -0.305 10.075 -4.206 1.00 1.31 O ATOM 804 CB TYR A 48 -3.319 9.586 -3.352 1.00 1.28 C ATOM 805 CG TYR A 48 -3.023 8.360 -4.198 1.00 1.26 C ATOM 806 CD1 TYR A 48 -2.951 7.093 -3.590 1.00 1.20 C ATOM 807 CD2 TYR A 48 -2.832 8.484 -5.588 1.00 1.33 C ATOM 808 CE1 TYR A 48 -2.724 5.943 -4.369 1.00 1.21 C ATOM 809 CE2 TYR A 48 -2.585 7.339 -6.369 1.00 1.33 C ATOM 810 CZ TYR A 48 -2.542 6.066 -5.764 1.00 1.27 C ATOM 811 OH TYR A 48 -2.331 4.964 -6.532 1.00 1.29 O ATOM 0 H TYR A 48 -3.593 11.132 -1.486 1.00 1.27 H new ATOM 0 HA TYR A 48 -1.559 9.341 -2.110 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -4.094 9.334 -2.628 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -3.725 10.367 -3.995 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -3.071 7.003 -2.520 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -2.875 9.457 -6.054 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -2.689 4.970 -3.902 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -2.428 7.436 -7.433 1.00 1.33 H new ATOM 0 HH TYR A 48 -2.228 5.233 -7.469 1.00 1.29 H new ATOM 821 N GLU A 49 -1.067 12.116 -3.694 1.00 1.39 N ATOM 822 CA GLU A 49 -0.186 12.799 -4.654 1.00 1.47 C ATOM 823 C GLU A 49 1.270 12.865 -4.178 1.00 1.46 C ATOM 824 O GLU A 49 2.171 12.479 -4.928 1.00 1.48 O ATOM 825 CB GLU A 49 -0.727 14.204 -4.949 1.00 1.57 C ATOM 826 CG GLU A 49 -1.951 14.118 -5.874 1.00 1.61 C ATOM 827 CD GLU A 49 -2.653 15.475 -6.005 1.00 1.71 C ATOM 828 OE1 GLU A 49 -2.115 16.395 -6.669 1.00 1.80 O ATOM 829 OE2 GLU A 49 -3.771 15.613 -5.451 1.00 1.72 O ATOM 0 H GLU A 49 -1.646 12.744 -3.136 1.00 1.39 H new ATOM 0 HA GLU A 49 -0.184 12.210 -5.571 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -1.000 14.699 -4.017 1.00 1.57 H new ATOM 0 HB3 GLU A 49 0.049 14.810 -5.416 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -1.640 13.772 -6.860 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -2.652 13.381 -5.484 1.00 1.61 H new ATOM 836 N THR A 50 1.527 13.260 -2.922 1.00 1.44 N ATOM 837 CA THR A 50 2.868 13.138 -2.326 1.00 1.45 C ATOM 838 C THR A 50 3.265 11.669 -2.207 1.00 1.37 C ATOM 839 O THR A 50 4.412 11.316 -2.476 1.00 1.40 O ATOM 840 CB THR A 50 2.968 13.815 -0.950 1.00 1.46 C ATOM 841 OG1 THR A 50 2.593 15.173 -1.050 1.00 1.54 O ATOM 842 CG2 THR A 50 4.388 13.806 -0.381 1.00 1.50 C ATOM 0 H THR A 50 0.827 13.665 -2.300 1.00 1.44 H new ATOM 0 HA THR A 50 3.557 13.654 -2.995 1.00 1.45 H new ATOM 0 HB THR A 50 2.308 13.247 -0.294 1.00 1.46 H new ATOM 0 HG1 THR A 50 1.631 15.260 -0.886 1.00 1.54 H new ATOM 0 HG21 THR A 50 4.393 14.298 0.592 1.00 1.50 H new ATOM 0 HG22 THR A 50 4.728 12.777 -0.269 1.00 1.50 H new ATOM 0 HG23 THR A 50 5.055 14.337 -1.060 1.00 1.50 H new ATOM 850 N ILE A 51 2.305 10.792 -1.894 1.00 1.30 N ATOM 851 CA ILE A 51 2.531 9.340 -1.886 1.00 1.24 C ATOM 852 C ILE A 51 3.055 8.827 -3.237 1.00 1.27 C ATOM 853 O ILE A 51 4.023 8.070 -3.264 1.00 1.27 O ATOM 854 CB ILE A 51 1.238 8.633 -1.399 1.00 1.18 C ATOM 855 CG1 ILE A 51 1.342 8.215 0.079 1.00 1.14 C ATOM 856 CG2 ILE A 51 0.825 7.416 -2.234 1.00 1.15 C ATOM 857 CD1 ILE A 51 1.292 9.409 1.044 1.00 1.17 C ATOM 0 H ILE A 51 1.355 11.065 -1.641 1.00 1.30 H new ATOM 0 HA ILE A 51 3.327 9.095 -1.183 1.00 1.24 H new ATOM 0 HB ILE A 51 0.459 9.386 -1.524 1.00 1.18 H new ATOM 0 HG12 ILE A 51 0.528 7.529 0.315 1.00 1.14 H new ATOM 0 HG13 ILE A 51 2.273 7.670 0.232 1.00 1.14 H new ATOM 0 HG21 ILE A 51 -0.088 6.985 -1.822 1.00 1.15 H new ATOM 0 HG22 ILE A 51 0.648 7.725 -3.264 1.00 1.15 H new ATOM 0 HG23 ILE A 51 1.621 6.671 -2.210 1.00 1.15 H new ATOM 0 HD11 ILE A 51 1.370 9.051 2.070 1.00 1.17 H new ATOM 0 HD12 ILE A 51 2.121 10.084 0.831 1.00 1.17 H new ATOM 0 HD13 ILE A 51 0.349 9.941 0.916 1.00 1.17 H new ATOM 869 N THR A 52 2.465 9.259 -4.349 1.00 1.30 N ATOM 870 CA THR A 52 2.905 8.830 -5.691 1.00 1.35 C ATOM 871 C THR A 52 4.225 9.482 -6.096 1.00 1.42 C ATOM 872 O THR A 52 5.076 8.816 -6.691 1.00 1.45 O ATOM 873 CB THR A 52 1.808 9.119 -6.727 1.00 1.39 C ATOM 874 OG1 THR A 52 0.664 8.373 -6.370 1.00 1.34 O ATOM 875 CG2 THR A 52 2.171 8.676 -8.145 1.00 1.45 C ATOM 0 H THR A 52 1.678 9.908 -4.356 1.00 1.30 H new ATOM 0 HA THR A 52 3.080 7.755 -5.655 1.00 1.35 H new ATOM 0 HB THR A 52 1.657 10.198 -6.727 1.00 1.39 H new ATOM 0 HG1 THR A 52 0.193 8.826 -5.639 1.00 1.34 H new ATOM 0 HG21 THR A 52 1.350 8.912 -8.821 1.00 1.45 H new ATOM 0 HG22 THR A 52 3.071 9.199 -8.470 1.00 1.45 H new ATOM 0 HG23 THR A 52 2.352 7.601 -8.155 1.00 1.45 H new ATOM 883 N ALA A 53 4.441 10.742 -5.714 1.00 1.47 N ATOM 884 CA ALA A 53 5.705 11.432 -5.959 1.00 1.55 C ATOM 885 C ALA A 53 6.890 10.888 -5.127 1.00 1.54 C ATOM 886 O ALA A 53 8.039 11.085 -5.537 1.00 1.61 O ATOM 887 CB ALA A 53 5.488 12.926 -5.685 1.00 1.61 C ATOM 0 H ALA A 53 3.747 11.309 -5.228 1.00 1.47 H new ATOM 0 HA ALA A 53 5.987 11.256 -6.997 1.00 1.55 H new ATOM 0 HB1 ALA A 53 6.418 13.467 -5.860 1.00 1.61 H new ATOM 0 HB2 ALA A 53 4.714 13.309 -6.350 1.00 1.61 H new ATOM 0 HB3 ALA A 53 5.177 13.065 -4.649 1.00 1.61 H new ATOM 893 N ARG A 54 6.634 10.219 -3.984 1.00 1.47 N ATOM 894 CA ARG A 54 7.714 9.877 -3.022 1.00 1.49 C ATOM 895 C ARG A 54 7.741 8.426 -2.513 1.00 1.44 C ATOM 896 O ARG A 54 8.690 8.064 -1.819 1.00 1.48 O ATOM 897 CB ARG A 54 7.619 10.827 -1.808 1.00 1.51 C ATOM 898 CG ARG A 54 7.773 12.331 -2.104 1.00 1.59 C ATOM 899 CD ARG A 54 9.156 12.727 -2.648 1.00 1.68 C ATOM 900 NE ARG A 54 10.253 12.390 -1.714 1.00 1.72 N ATOM 901 CZ ARG A 54 10.638 13.068 -0.647 1.00 1.77 C ATOM 902 NH1 ARG A 54 10.063 14.180 -0.278 1.00 1.79 N ATOM 903 NH2 ARG A 54 11.627 12.637 0.082 1.00 1.82 N ATOM 0 H ARG A 54 5.705 9.907 -3.703 1.00 1.47 H new ATOM 0 HA ARG A 54 8.639 9.995 -3.586 1.00 1.49 H new ATOM 0 HB2 ARG A 54 6.654 10.670 -1.326 1.00 1.51 H new ATOM 0 HB3 ARG A 54 8.385 10.540 -1.088 1.00 1.51 H new ATOM 0 HG2 ARG A 54 7.012 12.628 -2.826 1.00 1.59 H new ATOM 0 HG3 ARG A 54 7.580 12.892 -1.189 1.00 1.59 H new ATOM 0 HD2 ARG A 54 9.326 12.223 -3.599 1.00 1.68 H new ATOM 0 HD3 ARG A 54 9.170 13.798 -2.848 1.00 1.68 H new ATOM 0 HE ARG A 54 10.772 11.536 -1.917 1.00 1.72 H new ATOM 0 HH11 ARG A 54 9.285 14.556 -0.820 1.00 1.79 H new ATOM 0 HH12 ARG A 54 10.391 14.673 0.553 1.00 1.79 H new ATOM 0 HH21 ARG A 54 12.108 11.773 -0.170 1.00 1.82 H new ATOM 0 HH22 ARG A 54 11.921 13.163 0.905 1.00 1.82 H new ATOM 917 N ARG A 55 6.739 7.594 -2.839 1.00 1.37 N ATOM 918 CA ARG A 55 6.508 6.254 -2.241 1.00 1.32 C ATOM 919 C ARG A 55 6.492 6.358 -0.712 1.00 1.31 C ATOM 920 O ARG A 55 7.239 5.706 0.018 1.00 1.35 O ATOM 921 CB ARG A 55 7.469 5.195 -2.835 1.00 1.37 C ATOM 922 CG ARG A 55 7.622 5.262 -4.370 1.00 1.40 C ATOM 923 CD ARG A 55 6.305 5.142 -5.159 1.00 1.35 C ATOM 924 NE ARG A 55 6.238 6.118 -6.268 1.00 1.40 N ATOM 925 CZ ARG A 55 6.763 6.021 -7.473 1.00 1.46 C ATOM 926 NH1 ARG A 55 7.441 4.979 -7.867 1.00 1.49 N ATOM 927 NH2 ARG A 55 6.609 7.003 -8.310 1.00 1.51 N ATOM 0 H ARG A 55 6.043 7.835 -3.545 1.00 1.37 H new ATOM 0 HA ARG A 55 5.519 5.885 -2.514 1.00 1.32 H new ATOM 0 HB2 ARG A 55 8.451 5.317 -2.379 1.00 1.37 H new ATOM 0 HB3 ARG A 55 7.111 4.203 -2.561 1.00 1.37 H new ATOM 0 HG2 ARG A 55 8.101 6.206 -4.632 1.00 1.40 H new ATOM 0 HG3 ARG A 55 8.293 4.465 -4.689 1.00 1.40 H new ATOM 0 HD2 ARG A 55 6.211 4.132 -5.558 1.00 1.35 H new ATOM 0 HD3 ARG A 55 5.462 5.299 -4.486 1.00 1.35 H new ATOM 0 HE ARG A 55 5.720 6.975 -6.076 1.00 1.40 H new ATOM 0 HH11 ARG A 55 7.584 4.194 -7.232 1.00 1.49 H new ATOM 0 HH12 ARG A 55 7.829 4.949 -8.810 1.00 1.49 H new ATOM 0 HH21 ARG A 55 6.088 7.834 -8.031 1.00 1.51 H new ATOM 0 HH22 ARG A 55 7.009 6.943 -9.246 1.00 1.51 H new ATOM 941 N GLN A 56 5.596 7.242 -0.264 1.00 1.28 N ATOM 942 CA GLN A 56 5.511 7.627 1.150 1.00 1.29 C ATOM 943 C GLN A 56 4.684 6.631 1.994 1.00 1.24 C ATOM 944 O GLN A 56 4.559 6.827 3.200 1.00 1.25 O ATOM 945 CB GLN A 56 4.980 9.069 1.276 1.00 1.30 C ATOM 946 CG GLN A 56 5.645 9.885 2.401 1.00 1.37 C ATOM 947 CD GLN A 56 6.936 10.572 1.950 1.00 1.46 C ATOM 948 OE1 GLN A 56 8.106 10.093 2.311 1.00 1.49 O flip ATOM 949 NE2 GLN A 56 6.915 11.578 1.255 1.00 1.51 N flip ATOM 0 H GLN A 56 4.915 7.708 -0.863 1.00 1.28 H new ATOM 0 HA GLN A 56 6.520 7.592 1.562 1.00 1.29 H new ATOM 0 HB2 GLN A 56 5.132 9.585 0.328 1.00 1.30 H new ATOM 0 HB3 GLN A 56 3.905 9.035 1.452 1.00 1.30 H new ATOM 0 HG2 GLN A 56 4.944 10.638 2.761 1.00 1.37 H new ATOM 0 HG3 GLN A 56 5.864 9.226 3.241 1.00 1.37 H new ATOM 0 HE21 GLN A 56 6.023 11.974 0.958 1.00 1.51 H new ATOM 0 HE22 GLN A 56 7.789 12.021 0.972 1.00 1.51 H new ATOM 958 N TRP A 57 4.155 5.541 1.410 1.00 1.19 N ATOM 959 CA TRP A 57 3.456 4.475 2.147 1.00 1.17 C ATOM 960 C TRP A 57 4.281 3.885 3.294 1.00 1.24 C ATOM 961 O TRP A 57 3.714 3.550 4.330 1.00 1.24 O ATOM 962 CB TRP A 57 2.982 3.352 1.216 1.00 1.15 C ATOM 963 CG TRP A 57 1.849 3.726 0.325 1.00 1.11 C ATOM 964 CD1 TRP A 57 1.946 4.105 -0.966 1.00 1.11 C ATOM 965 CD2 TRP A 57 0.431 3.761 0.661 1.00 1.07 C ATOM 966 NE1 TRP A 57 0.685 4.400 -1.442 1.00 1.09 N ATOM 967 CE2 TRP A 57 -0.287 4.221 -0.482 1.00 1.07 C ATOM 968 CE3 TRP A 57 -0.319 3.468 1.819 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -1.676 4.413 -0.465 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -1.713 3.640 1.844 1.00 1.06 C ATOM 971 CH2 TRP A 57 -2.386 4.116 0.708 1.00 1.06 C ATOM 0 H TRP A 57 4.201 5.375 0.405 1.00 1.19 H new ATOM 0 HA TRP A 57 2.586 4.961 2.589 1.00 1.17 H new ATOM 0 HB2 TRP A 57 3.821 3.030 0.600 1.00 1.15 H new ATOM 0 HB3 TRP A 57 2.684 2.496 1.822 1.00 1.15 H new ATOM 0 HD1 TRP A 57 2.862 4.167 -1.535 1.00 1.11 H new ATOM 0 HE1 TRP A 57 0.495 4.714 -2.394 1.00 1.09 H new ATOM 0 HE3 TRP A 57 0.187 3.105 2.701 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -2.190 4.783 -1.340 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -2.268 3.405 2.740 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -3.457 4.254 0.737 1.00 1.06 H new ATOM 982 N LYS A 58 5.595 3.879 3.163 1.00 1.32 N ATOM 983 CA LYS A 58 6.448 3.405 4.244 1.00 1.42 C ATOM 984 C LYS A 58 6.246 4.282 5.494 1.00 1.43 C ATOM 985 O LYS A 58 6.428 3.826 6.622 1.00 1.51 O ATOM 986 CB LYS A 58 7.908 3.436 3.800 1.00 1.54 C ATOM 987 CG LYS A 58 8.154 2.685 2.504 1.00 1.98 C ATOM 988 CD LYS A 58 8.403 1.212 2.747 1.00 2.07 C ATOM 989 CE LYS A 58 8.895 0.526 1.486 1.00 2.58 C ATOM 990 NZ LYS A 58 9.519 -0.795 1.777 1.00 2.89 N ATOM 0 H LYS A 58 6.093 4.193 2.330 1.00 1.32 H new ATOM 0 HA LYS A 58 6.179 2.378 4.493 1.00 1.42 H new ATOM 0 HB2 LYS A 58 8.222 4.473 3.677 1.00 1.54 H new ATOM 0 HB3 LYS A 58 8.529 3.006 4.585 1.00 1.54 H new ATOM 0 HG2 LYS A 58 7.294 2.804 1.846 1.00 1.98 H new ATOM 0 HG3 LYS A 58 9.012 3.119 1.990 1.00 1.98 H new ATOM 0 HD2 LYS A 58 9.139 1.091 3.542 1.00 2.07 H new ATOM 0 HD3 LYS A 58 7.484 0.736 3.089 1.00 2.07 H new ATOM 0 HE2 LYS A 58 8.060 0.389 0.798 1.00 2.58 H new ATOM 0 HE3 LYS A 58 9.620 1.167 0.984 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 10.380 -0.906 1.204 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 9.766 -0.848 2.786 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 8.848 -1.555 1.544 1.00 2.89 H new ATOM 1004 N HIS A 59 5.894 5.557 5.265 1.00 1.39 N ATOM 1005 CA HIS A 59 5.634 6.519 6.346 1.00 1.40 C ATOM 1006 C HIS A 59 4.231 6.301 6.960 1.00 1.32 C ATOM 1007 O HIS A 59 4.026 6.553 8.145 1.00 1.35 O ATOM 1008 CB HIS A 59 5.858 7.947 5.846 1.00 1.43 C ATOM 1009 CG HIS A 59 7.265 8.172 5.358 1.00 1.58 C ATOM 1010 ND1 HIS A 59 7.959 7.582 4.351 1.00 1.81 N flip ATOM 1011 CD2 HIS A 59 8.134 9.069 5.939 1.00 1.59 C flip ATOM 1012 CE1 HIS A 59 9.218 8.127 4.343 1.00 1.93 C flip ATOM 1013 NE2 HIS A 59 9.299 9.024 5.310 1.00 1.79 N flip ATOM 0 H HIS A 59 5.782 5.948 4.330 1.00 1.39 H new ATOM 0 HA HIS A 59 6.344 6.351 7.155 1.00 1.40 H new ATOM 0 HB2 HIS A 59 5.158 8.160 5.038 1.00 1.43 H new ATOM 0 HB3 HIS A 59 5.639 8.649 6.651 1.00 1.43 H new ATOM 0 HD2 HIS A 59 7.902 9.709 6.777 1.00 1.59 H new ATOM 0 HE1 HIS A 59 10.012 7.866 3.659 1.00 1.93 H new ATOM 0 HE2 HIS A 59 10.120 9.587 5.534 1.00 1.79 H new ATOM 1022 N ILE A 60 3.258 5.899 6.129 1.00 1.23 N ATOM 1023 CA ILE A 60 1.920 5.516 6.604 1.00 1.20 C ATOM 1024 C ILE A 60 2.104 4.325 7.540 1.00 1.27 C ATOM 1025 O ILE A 60 1.575 4.364 8.640 1.00 1.33 O ATOM 1026 CB ILE A 60 0.930 5.233 5.452 1.00 1.15 C ATOM 1027 CG1 ILE A 60 0.576 6.577 4.776 1.00 1.14 C ATOM 1028 CG2 ILE A 60 -0.337 4.522 5.971 1.00 1.18 C ATOM 1029 CD1 ILE A 60 -0.234 6.437 3.486 1.00 1.14 C ATOM 0 H ILE A 60 3.374 5.830 5.118 1.00 1.23 H new ATOM 0 HA ILE A 60 1.460 6.346 7.141 1.00 1.20 H new ATOM 0 HB ILE A 60 1.392 4.565 4.725 1.00 1.15 H new ATOM 0 HG12 ILE A 60 0.012 7.188 5.481 1.00 1.14 H new ATOM 0 HG13 ILE A 60 1.499 7.114 4.556 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -1.016 4.335 5.139 1.00 1.18 H new ATOM 0 HG22 ILE A 60 -0.059 3.574 6.432 1.00 1.18 H new ATOM 0 HG23 ILE A 60 -0.832 5.153 6.709 1.00 1.18 H new ATOM 0 HD11 ILE A 60 -0.440 7.426 3.076 1.00 1.14 H new ATOM 0 HD12 ILE A 60 0.335 5.855 2.761 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -1.175 5.930 3.700 1.00 1.14 H new ATOM 1041 N TYR A 61 2.943 3.343 7.188 1.00 1.31 N ATOM 1042 CA TYR A 61 3.383 2.270 8.092 1.00 1.43 C ATOM 1043 C TYR A 61 3.972 2.807 9.417 1.00 1.53 C ATOM 1044 O TYR A 61 3.802 2.194 10.473 1.00 1.64 O ATOM 1045 CB TYR A 61 4.386 1.379 7.342 1.00 1.46 C ATOM 1046 CG TYR A 61 5.083 0.316 8.170 1.00 1.62 C ATOM 1047 CD1 TYR A 61 4.445 -0.910 8.450 1.00 1.68 C ATOM 1048 CD2 TYR A 61 6.396 0.545 8.629 1.00 1.73 C ATOM 1049 CE1 TYR A 61 5.118 -1.908 9.182 1.00 1.84 C ATOM 1050 CE2 TYR A 61 7.071 -0.450 9.362 1.00 1.89 C ATOM 1051 CZ TYR A 61 6.437 -1.679 9.638 1.00 1.94 C ATOM 1052 OH TYR A 61 7.111 -2.634 10.333 1.00 2.11 O ATOM 0 H TYR A 61 3.342 3.269 6.252 1.00 1.31 H new ATOM 0 HA TYR A 61 2.513 1.681 8.383 1.00 1.43 H new ATOM 0 HB2 TYR A 61 3.862 0.887 6.523 1.00 1.46 H new ATOM 0 HB3 TYR A 61 5.147 2.019 6.895 1.00 1.46 H new ATOM 0 HD1 TYR A 61 3.437 -1.084 8.102 1.00 1.68 H new ATOM 0 HD2 TYR A 61 6.885 1.485 8.418 1.00 1.73 H new ATOM 0 HE1 TYR A 61 4.627 -2.846 9.395 1.00 1.84 H new ATOM 0 HE2 TYR A 61 8.076 -0.271 9.714 1.00 1.89 H new ATOM 0 HH TYR A 61 7.698 -3.129 9.724 1.00 2.11 H new ATOM 1062 N ASP A 62 4.598 3.989 9.353 1.00 1.52 N ATOM 1063 CA ASP A 62 5.072 4.693 10.554 1.00 1.62 C ATOM 1064 C ASP A 62 3.909 5.174 11.438 1.00 1.61 C ATOM 1065 O ASP A 62 3.860 4.844 12.625 1.00 1.72 O ATOM 1066 CB ASP A 62 6.076 5.811 10.233 1.00 1.65 C ATOM 1067 CG ASP A 62 6.793 6.282 11.509 1.00 1.79 C ATOM 1068 OD1 ASP A 62 7.714 5.577 11.983 1.00 1.92 O ATOM 1069 OD2 ASP A 62 6.448 7.368 12.037 1.00 1.79 O ATOM 0 H ASP A 62 4.789 4.480 8.480 1.00 1.52 H new ATOM 0 HA ASP A 62 5.626 3.961 11.142 1.00 1.62 H new ATOM 0 HB2 ASP A 62 6.808 5.452 9.510 1.00 1.65 H new ATOM 0 HB3 ASP A 62 5.557 6.651 9.771 1.00 1.65 H new ATOM 1074 N GLU A 63 2.924 5.869 10.859 1.00 1.50 N ATOM 1075 CA GLU A 63 1.687 6.227 11.578 1.00 1.50 C ATOM 1076 C GLU A 63 0.840 5.011 12.033 1.00 1.56 C ATOM 1077 O GLU A 63 0.269 5.045 13.126 1.00 1.66 O ATOM 1078 CB GLU A 63 0.870 7.186 10.697 1.00 1.41 C ATOM 1079 CG GLU A 63 -0.427 7.702 11.342 1.00 1.44 C ATOM 1080 CD GLU A 63 -0.217 8.467 12.661 1.00 1.53 C ATOM 1081 OE1 GLU A 63 0.682 9.338 12.731 1.00 1.53 O ATOM 1082 OE2 GLU A 63 -1.014 8.289 13.611 1.00 1.61 O ATOM 0 H GLU A 63 2.955 6.197 9.894 1.00 1.50 H new ATOM 0 HA GLU A 63 1.977 6.716 12.508 1.00 1.50 H new ATOM 0 HB2 GLU A 63 1.495 8.040 10.436 1.00 1.41 H new ATOM 0 HB3 GLU A 63 0.620 6.678 9.766 1.00 1.41 H new ATOM 0 HG2 GLU A 63 -0.936 8.355 10.634 1.00 1.44 H new ATOM 0 HG3 GLU A 63 -1.088 6.856 11.528 1.00 1.44 H new ATOM 1089 N LEU A 64 0.785 3.919 11.254 1.00 1.54 N ATOM 1090 CA LEU A 64 0.141 2.649 11.637 1.00 1.64 C ATOM 1091 C LEU A 64 0.830 1.987 12.846 1.00 1.79 C ATOM 1092 O LEU A 64 0.190 1.216 13.568 1.00 1.90 O ATOM 1093 CB LEU A 64 0.135 1.634 10.465 1.00 1.59 C ATOM 1094 CG LEU A 64 -0.661 2.008 9.203 1.00 1.48 C ATOM 1095 CD1 LEU A 64 -0.561 0.886 8.169 1.00 1.46 C ATOM 1096 CD2 LEU A 64 -2.137 2.294 9.488 1.00 1.53 C ATOM 0 H LEU A 64 1.195 3.892 10.320 1.00 1.54 H new ATOM 0 HA LEU A 64 -0.883 2.908 11.906 1.00 1.64 H new ATOM 0 HB2 LEU A 64 1.169 1.456 10.170 1.00 1.59 H new ATOM 0 HB3 LEU A 64 -0.256 0.689 10.841 1.00 1.59 H new ATOM 0 HG LEU A 64 -0.217 2.926 8.819 1.00 1.48 H new ATOM 0 HD11 LEU A 64 -1.128 1.160 7.279 1.00 1.46 H new ATOM 0 HD12 LEU A 64 0.484 0.731 7.900 1.00 1.46 H new ATOM 0 HD13 LEU A 64 -0.968 -0.034 8.589 1.00 1.46 H new ATOM 0 HD21 LEU A 64 -2.644 2.552 8.558 1.00 1.53 H new ATOM 0 HD22 LEU A 64 -2.602 1.409 9.921 1.00 1.53 H new ATOM 0 HD23 LEU A 64 -2.218 3.126 10.188 1.00 1.53 H new ATOM 1108 N GLY A 65 2.123 1.835 12.775 1.00 1.82 N ATOM 1109 CA GLY A 65 2.777 1.170 13.879 1.00 2.01 C ATOM 1110 C GLY A 65 3.993 0.427 13.398 1.00 2.12 C ATOM 1111 O GLY A 65 4.327 0.484 12.220 1.00 1.99 O ATOM 0 H GLY A 65 2.724 2.142 12.010 1.00 1.82 H new ATOM 0 HA2 GLY A 65 3.065 1.902 14.633 1.00 2.01 H new ATOM 0 HA3 GLY A 65 2.084 0.477 14.356 1.00 2.01 H new ATOM 1115 N GLY A 66 4.614 -0.353 14.274 1.00 2.43 N ATOM 1116 CA GLY A 66 5.740 -1.163 13.831 1.00 2.61 C ATOM 1117 C GLY A 66 5.363 -2.633 13.606 1.00 2.81 C ATOM 1118 O GLY A 66 4.575 -3.203 14.362 1.00 3.02 O ATOM 0 H GLY A 66 4.369 -0.441 15.260 1.00 2.43 H new ATOM 0 HA2 GLY A 66 6.137 -0.749 12.904 1.00 2.61 H new ATOM 0 HA3 GLY A 66 6.537 -1.106 14.573 1.00 2.61 H new ATOM 1122 N ASN A 67 5.933 -3.238 12.564 1.00 2.79 N ATOM 1123 CA ASN A 67 5.732 -4.667 12.252 1.00 3.02 C ATOM 1124 C ASN A 67 7.105 -5.325 12.101 1.00 3.12 C ATOM 1125 O ASN A 67 7.717 -5.233 11.037 1.00 2.83 O ATOM 1126 CB ASN A 67 4.929 -4.896 10.965 1.00 2.85 C ATOM 1127 CG ASN A 67 3.469 -5.231 11.204 1.00 3.14 C ATOM 1128 OD1 ASN A 67 3.025 -5.369 12.341 1.00 3.57 O ATOM 1129 ND2 ASN A 67 2.714 -5.389 10.116 1.00 3.34 N ATOM 0 H ASN A 67 6.549 -2.758 11.908 1.00 2.79 H new ATOM 0 HA ASN A 67 5.158 -5.104 13.069 1.00 3.02 H new ATOM 0 HB2 ASN A 67 4.990 -4.001 10.346 1.00 2.85 H new ATOM 0 HB3 ASN A 67 5.390 -5.706 10.400 1.00 2.85 H new ATOM 0 HD21 ASN A 67 1.728 -5.634 10.210 1.00 3.34 H new ATOM 0 HD22 ASN A 67 3.122 -5.265 9.190 1.00 3.34 H new ATOM 1136 N PRO A 68 7.603 -5.977 13.170 1.00 3.59 N ATOM 1137 CA PRO A 68 8.929 -6.620 13.186 1.00 3.82 C ATOM 1138 C PRO A 68 9.225 -7.521 11.972 1.00 3.69 C ATOM 1139 O PRO A 68 8.513 -8.490 11.712 1.00 3.80 O ATOM 1140 CB PRO A 68 8.905 -7.479 14.466 1.00 4.46 C ATOM 1141 CG PRO A 68 7.525 -7.365 15.035 1.00 4.52 C ATOM 1142 CD PRO A 68 6.913 -6.127 14.457 1.00 3.98 C ATOM 0 HA PRO A 68 9.709 -5.859 13.152 1.00 3.82 H new ATOM 0 HB2 PRO A 68 9.146 -8.518 14.240 1.00 4.46 H new ATOM 0 HB3 PRO A 68 9.649 -7.128 15.181 1.00 4.46 H new ATOM 0 HG2 PRO A 68 6.930 -8.243 14.783 1.00 4.52 H new ATOM 0 HG3 PRO A 68 7.560 -7.306 16.123 1.00 4.52 H new ATOM 0 HD2 PRO A 68 5.836 -6.234 14.326 1.00 3.98 H new ATOM 0 HD3 PRO A 68 7.071 -5.262 15.101 1.00 3.98 H new ATOM 1150 N GLY A 69 10.312 -7.194 11.256 1.00 3.53 N ATOM 1151 CA GLY A 69 10.740 -7.993 10.111 1.00 3.44 C ATOM 1152 C GLY A 69 10.317 -7.460 8.746 1.00 2.86 C ATOM 1153 O GLY A 69 10.954 -7.781 7.743 1.00 2.82 O ATOM 0 H GLY A 69 10.903 -6.386 11.453 1.00 3.53 H new ATOM 0 HA2 GLY A 69 11.827 -8.072 10.130 1.00 3.44 H new ATOM 0 HA3 GLY A 69 10.345 -9.002 10.226 1.00 3.44 H new ATOM 1157 N SER A 70 9.289 -6.616 8.698 1.00 2.44 N ATOM 1158 CA SER A 70 8.792 -6.112 7.416 1.00 2.00 C ATOM 1159 C SER A 70 8.950 -4.601 7.258 1.00 1.53 C ATOM 1160 O SER A 70 8.772 -3.841 8.208 1.00 1.46 O ATOM 1161 CB SER A 70 7.317 -6.485 7.262 1.00 2.18 C ATOM 1162 OG SER A 70 7.083 -7.830 7.638 1.00 2.80 O ATOM 0 H SER A 70 8.789 -6.270 9.517 1.00 2.44 H new ATOM 0 HA SER A 70 9.397 -6.577 6.638 1.00 2.00 H new ATOM 0 HB2 SER A 70 6.706 -5.822 7.876 1.00 2.18 H new ATOM 0 HB3 SER A 70 7.008 -6.336 6.227 1.00 2.18 H new ATOM 0 HG SER A 70 7.911 -8.345 7.541 1.00 2.80 H new ATOM 1168 N THR A 71 9.281 -4.180 6.033 1.00 1.44 N ATOM 1169 CA THR A 71 9.433 -2.763 5.713 1.00 1.46 C ATOM 1170 C THR A 71 8.435 -2.344 4.625 1.00 1.45 C ATOM 1171 O THR A 71 7.991 -1.201 4.597 1.00 1.87 O ATOM 1172 CB THR A 71 10.876 -2.411 5.262 1.00 1.83 C ATOM 1173 OG1 THR A 71 10.951 -1.027 4.902 1.00 2.27 O ATOM 1174 CG2 THR A 71 11.331 -3.264 4.080 1.00 2.08 C ATOM 0 H THR A 71 9.449 -4.806 5.246 1.00 1.44 H new ATOM 0 HA THR A 71 9.227 -2.210 6.630 1.00 1.46 H new ATOM 0 HB THR A 71 11.538 -2.618 6.102 1.00 1.83 H new ATOM 0 HG1 THR A 71 11.864 -0.811 4.620 1.00 2.27 H new ATOM 0 HG21 THR A 71 12.346 -2.984 3.798 1.00 2.08 H new ATOM 0 HG22 THR A 71 11.310 -4.317 4.362 1.00 2.08 H new ATOM 0 HG23 THR A 71 10.662 -3.101 3.235 1.00 2.08 H new ATOM 1182 N SER A 72 8.072 -3.287 3.748 1.00 1.38 N ATOM 1183 CA SER A 72 7.139 -3.013 2.648 1.00 1.57 C ATOM 1184 C SER A 72 5.744 -3.577 2.954 1.00 1.49 C ATOM 1185 O SER A 72 5.127 -4.240 2.116 1.00 1.91 O ATOM 1186 CB SER A 72 7.683 -3.614 1.340 1.00 2.05 C ATOM 1187 OG SER A 72 6.962 -3.142 0.214 1.00 2.49 O ATOM 0 H SER A 72 8.411 -4.249 3.779 1.00 1.38 H new ATOM 0 HA SER A 72 7.047 -1.933 2.535 1.00 1.57 H new ATOM 0 HB2 SER A 72 8.737 -3.359 1.232 1.00 2.05 H new ATOM 0 HB3 SER A 72 7.621 -4.701 1.384 1.00 2.05 H new ATOM 0 HG SER A 72 7.426 -3.409 -0.607 1.00 2.49 H new ATOM 1193 N ALA A 73 5.250 -3.295 4.162 1.00 1.18 N ATOM 1194 CA ALA A 73 3.933 -3.767 4.590 1.00 1.24 C ATOM 1195 C ALA A 73 2.813 -2.828 4.136 1.00 1.27 C ATOM 1196 O ALA A 73 1.759 -3.281 3.686 1.00 1.39 O ATOM 1197 CB ALA A 73 3.900 -3.931 6.101 1.00 1.32 C ATOM 0 H ALA A 73 5.744 -2.741 4.861 1.00 1.18 H new ATOM 0 HA ALA A 73 3.762 -4.734 4.117 1.00 1.24 H new ATOM 0 HB1 ALA A 73 2.915 -4.283 6.407 1.00 1.32 H new ATOM 0 HB2 ALA A 73 4.655 -4.656 6.405 1.00 1.32 H new ATOM 0 HB3 ALA A 73 4.107 -2.972 6.576 1.00 1.32 H new ATOM 1203 N ALA A 74 3.039 -1.519 4.263 1.00 1.27 N ATOM 1204 CA ALA A 74 2.042 -0.528 3.866 1.00 1.40 C ATOM 1205 C ALA A 74 2.151 -0.186 2.381 1.00 1.28 C ATOM 1206 O ALA A 74 1.275 0.469 1.815 1.00 1.34 O ATOM 1207 CB ALA A 74 2.181 0.719 4.715 1.00 1.61 C ATOM 0 H ALA A 74 3.902 -1.123 4.637 1.00 1.27 H new ATOM 0 HA ALA A 74 1.054 -0.959 4.029 1.00 1.40 H new ATOM 0 HB1 ALA A 74 1.433 1.451 4.411 1.00 1.61 H new ATOM 0 HB2 ALA A 74 2.033 0.463 5.764 1.00 1.61 H new ATOM 0 HB3 ALA A 74 3.177 1.141 4.582 1.00 1.61 H new ATOM 1213 N THR A 75 3.238 -0.628 1.757 1.00 1.16 N ATOM 1214 CA THR A 75 3.466 -0.388 0.338 1.00 1.15 C ATOM 1215 C THR A 75 2.445 -1.155 -0.501 1.00 1.20 C ATOM 1216 O THR A 75 2.061 -0.721 -1.588 1.00 1.25 O ATOM 1217 CB THR A 75 4.891 -0.804 -0.069 1.00 1.17 C ATOM 1218 OG1 THR A 75 5.832 -0.309 0.892 1.00 1.24 O ATOM 1219 CG2 THR A 75 5.242 -0.267 -1.447 1.00 1.66 C ATOM 0 H THR A 75 3.979 -1.158 2.216 1.00 1.16 H new ATOM 0 HA THR A 75 3.351 0.680 0.155 1.00 1.15 H new ATOM 0 HB THR A 75 4.934 -1.893 -0.101 1.00 1.17 H new ATOM 0 HG1 THR A 75 5.895 0.666 0.816 1.00 1.24 H new ATOM 0 HG21 THR A 75 6.254 -0.575 -1.711 1.00 1.66 H new ATOM 0 HG22 THR A 75 4.540 -0.662 -2.181 1.00 1.66 H new ATOM 0 HG23 THR A 75 5.185 0.821 -1.439 1.00 1.66 H new ATOM 1227 N CYS A 76 2.016 -2.302 0.020 1.00 1.24 N ATOM 1228 CA CYS A 76 1.021 -3.137 -0.643 1.00 1.36 C ATOM 1229 C CYS A 76 -0.352 -2.461 -0.604 1.00 1.39 C ATOM 1230 O CYS A 76 -1.206 -2.708 -1.457 1.00 1.46 O ATOM 1231 CB CYS A 76 0.957 -4.516 0.016 1.00 1.46 C ATOM 1232 SG CYS A 76 2.554 -5.366 0.109 1.00 1.61 S ATOM 0 H CYS A 76 2.347 -2.676 0.909 1.00 1.24 H new ATOM 0 HA CYS A 76 1.314 -3.266 -1.685 1.00 1.36 H new ATOM 0 HB2 CYS A 76 0.556 -4.407 1.024 1.00 1.46 H new ATOM 0 HB3 CYS A 76 0.257 -5.140 -0.540 1.00 1.46 H new ATOM 0 HG CYS A 76 3.328 -4.745 0.949 1.00 1.61 H new ATOM 1238 N THR A 77 -0.552 -1.625 0.422 1.00 1.35 N ATOM 1239 CA THR A 77 -1.800 -0.883 0.616 1.00 1.39 C ATOM 1240 C THR A 77 -2.076 0.084 -0.542 1.00 1.34 C ATOM 1241 O THR A 77 -3.229 0.422 -0.805 1.00 1.38 O ATOM 1242 CB THR A 77 -1.781 -0.094 1.942 1.00 1.41 C ATOM 1243 OG1 THR A 77 -1.264 -0.916 2.995 1.00 1.48 O ATOM 1244 CG2 THR A 77 -3.177 0.381 2.319 1.00 1.49 C ATOM 0 H THR A 77 0.149 -1.445 1.141 1.00 1.35 H new ATOM 0 HA THR A 77 -2.598 -1.624 0.649 1.00 1.39 H new ATOM 0 HB THR A 77 -1.140 0.777 1.803 1.00 1.41 H new ATOM 0 HG1 THR A 77 -1.254 -0.407 3.832 1.00 1.48 H new ATOM 0 HG21 THR A 77 -3.132 0.934 3.257 1.00 1.49 H new ATOM 0 HG22 THR A 77 -3.565 1.030 1.534 1.00 1.49 H new ATOM 0 HG23 THR A 77 -3.835 -0.480 2.436 1.00 1.49 H new ATOM 1252 N ARG A 78 -1.013 0.548 -1.209 1.00 1.27 N ATOM 1253 CA ARG A 78 -1.136 1.472 -2.348 1.00 1.25 C ATOM 1254 C ARG A 78 -2.084 0.918 -3.412 1.00 1.30 C ATOM 1255 O ARG A 78 -2.868 1.653 -4.016 1.00 1.29 O ATOM 1256 CB ARG A 78 0.243 1.711 -2.978 1.00 1.25 C ATOM 1257 CG ARG A 78 0.231 2.694 -4.143 1.00 1.33 C ATOM 1258 CD ARG A 78 1.643 3.055 -4.590 1.00 1.40 C ATOM 1259 NE ARG A 78 2.152 2.143 -5.616 1.00 1.56 N ATOM 1260 CZ ARG A 78 3.443 1.851 -5.776 1.00 1.92 C ATOM 1261 NH1 ARG A 78 4.355 2.359 -4.955 1.00 2.01 N ATOM 1262 NH2 ARG A 78 3.822 1.045 -6.758 1.00 2.42 N ATOM 0 H ARG A 78 -0.051 0.298 -0.979 1.00 1.27 H new ATOM 0 HA ARG A 78 -1.543 2.411 -1.974 1.00 1.25 H new ATOM 0 HB2 ARG A 78 0.922 2.082 -2.210 1.00 1.25 H new ATOM 0 HB3 ARG A 78 0.643 0.758 -3.324 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -0.316 2.260 -4.980 1.00 1.33 H new ATOM 0 HG3 ARG A 78 -0.301 3.599 -3.850 1.00 1.33 H new ATOM 0 HD2 ARG A 78 1.650 4.074 -4.977 1.00 1.40 H new ATOM 0 HD3 ARG A 78 2.310 3.037 -3.728 1.00 1.40 H new ATOM 0 HE ARG A 78 1.479 1.705 -6.245 1.00 1.56 H new ATOM 0 HH11 ARG A 78 4.070 2.977 -4.196 1.00 2.01 H new ATOM 0 HH12 ARG A 78 5.341 2.131 -5.084 1.00 2.01 H new ATOM 0 HH21 ARG A 78 3.126 0.649 -7.390 1.00 2.42 H new ATOM 0 HH22 ARG A 78 4.809 0.821 -6.881 1.00 2.42 H new ATOM 1276 N ARG A 79 -1.996 -0.388 -3.617 1.00 1.37 N ATOM 1277 CA ARG A 79 -2.802 -1.100 -4.601 1.00 1.45 C ATOM 1278 C ARG A 79 -4.262 -1.273 -4.168 1.00 1.48 C ATOM 1279 O ARG A 79 -5.150 -1.366 -5.016 1.00 1.54 O ATOM 1280 CB ARG A 79 -2.169 -2.454 -4.964 1.00 1.52 C ATOM 1281 CG ARG A 79 -0.725 -2.318 -5.485 1.00 1.51 C ATOM 1282 CD ARG A 79 -0.141 -3.662 -5.942 1.00 1.59 C ATOM 1283 NE ARG A 79 -0.783 -4.156 -7.178 1.00 1.67 N ATOM 1284 CZ ARG A 79 -0.559 -5.312 -7.778 1.00 1.76 C ATOM 1285 NH1 ARG A 79 0.295 -6.180 -7.312 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -1.190 -5.621 -8.873 1.00 1.82 N ATOM 0 H ARG A 79 -1.356 -0.991 -3.100 1.00 1.37 H new ATOM 0 HA ARG A 79 -2.817 -0.475 -5.494 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -2.174 -3.099 -4.086 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -2.780 -2.944 -5.723 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -0.706 -1.615 -6.317 1.00 1.51 H new ATOM 0 HG3 ARG A 79 -0.096 -1.899 -4.700 1.00 1.51 H new ATOM 0 HD2 ARG A 79 0.931 -3.553 -6.109 1.00 1.59 H new ATOM 0 HD3 ARG A 79 -0.266 -4.400 -5.149 1.00 1.59 H new ATOM 0 HE ARG A 79 -1.470 -3.541 -7.613 1.00 1.67 H new ATOM 0 HH11 ARG A 79 0.815 -5.976 -6.458 1.00 1.79 H new ATOM 0 HH12 ARG A 79 0.443 -7.063 -7.801 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -1.864 -4.969 -9.275 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -1.011 -6.515 -9.330 1.00 1.82 H new ATOM 1300 N HIS A 80 -4.520 -1.270 -2.859 1.00 1.47 N ATOM 1301 CA HIS A 80 -5.866 -1.209 -2.289 1.00 1.50 C ATOM 1302 C HIS A 80 -6.429 0.219 -2.386 1.00 1.44 C ATOM 1303 O HIS A 80 -7.504 0.409 -2.947 1.00 1.48 O ATOM 1304 CB HIS A 80 -5.835 -1.743 -0.846 1.00 1.52 C ATOM 1305 CG HIS A 80 -5.263 -3.141 -0.732 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -4.518 -3.634 0.318 1.00 1.62 N ATOM 1307 CD2 HIS A 80 -5.384 -4.165 -1.644 1.00 1.68 C ATOM 1308 CE1 HIS A 80 -4.201 -4.913 0.048 1.00 1.70 C ATOM 1309 NE2 HIS A 80 -4.703 -5.283 -1.142 1.00 1.74 N ATOM 0 H HIS A 80 -3.785 -1.311 -2.153 1.00 1.47 H new ATOM 0 HA HIS A 80 -6.542 -1.845 -2.860 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -5.245 -1.066 -0.229 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -6.848 -1.739 -0.444 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -5.913 -4.116 -2.584 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -3.623 -5.554 0.698 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -4.608 -6.194 -1.590 1.00 1.74 H new ATOM 1318 N TYR A 81 -5.683 1.242 -1.945 1.00 1.35 N ATOM 1319 CA TYR A 81 -6.120 2.649 -1.962 1.00 1.29 C ATOM 1320 C TYR A 81 -6.531 3.132 -3.360 1.00 1.32 C ATOM 1321 O TYR A 81 -7.533 3.841 -3.494 1.00 1.34 O ATOM 1322 CB TYR A 81 -4.997 3.527 -1.383 1.00 1.21 C ATOM 1323 CG TYR A 81 -5.357 4.986 -1.105 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -5.515 5.901 -2.168 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -5.476 5.443 0.222 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -5.812 7.254 -1.907 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -5.701 6.809 0.487 1.00 1.12 C ATOM 1328 CZ TYR A 81 -5.885 7.720 -0.575 1.00 1.12 C ATOM 1329 OH TYR A 81 -6.166 9.025 -0.307 1.00 1.11 O ATOM 0 H TYR A 81 -4.746 1.116 -1.561 1.00 1.35 H new ATOM 0 HA TYR A 81 -7.015 2.731 -1.345 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -4.654 3.075 -0.452 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -4.155 3.508 -2.075 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -5.408 5.562 -3.188 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -5.394 4.743 1.041 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -5.984 7.936 -2.727 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -5.733 7.160 1.508 1.00 1.12 H new ATOM 0 HH TYR A 81 -6.453 9.473 -1.130 1.00 1.11 H new ATOM 1339 N GLU A 82 -5.829 2.701 -4.419 1.00 1.34 N ATOM 1340 CA GLU A 82 -6.087 3.133 -5.794 1.00 1.39 C ATOM 1341 C GLU A 82 -7.397 2.570 -6.366 1.00 1.50 C ATOM 1342 O GLU A 82 -7.802 2.954 -7.467 1.00 1.56 O ATOM 1343 CB GLU A 82 -4.880 2.878 -6.709 1.00 1.40 C ATOM 1344 CG GLU A 82 -4.679 1.419 -7.106 1.00 1.46 C ATOM 1345 CD GLU A 82 -3.649 1.289 -8.242 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -4.011 1.583 -9.410 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -2.493 0.873 -7.983 1.00 1.46 O ATOM 0 H GLU A 82 -5.059 2.036 -4.340 1.00 1.34 H new ATOM 0 HA GLU A 82 -6.230 4.213 -5.756 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -4.995 3.474 -7.614 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -3.979 3.231 -6.207 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -4.344 0.847 -6.241 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -5.630 0.991 -7.423 1.00 1.46 H new ATOM 1354 N ARG A 83 -8.068 1.677 -5.616 1.00 1.53 N ATOM 1355 CA ARG A 83 -9.430 1.231 -5.937 1.00 1.64 C ATOM 1356 C ARG A 83 -10.438 1.420 -4.794 1.00 1.64 C ATOM 1357 O ARG A 83 -11.631 1.232 -5.024 1.00 1.73 O ATOM 1358 CB ARG A 83 -9.418 -0.241 -6.399 1.00 1.73 C ATOM 1359 CG ARG A 83 -8.615 -0.519 -7.677 1.00 1.75 C ATOM 1360 CD ARG A 83 -9.187 0.189 -8.916 1.00 1.81 C ATOM 1361 NE ARG A 83 -8.350 -0.073 -10.104 1.00 1.84 N ATOM 1362 CZ ARG A 83 -7.202 0.515 -10.399 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -6.762 1.557 -9.760 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -6.438 0.048 -11.343 1.00 1.82 N ATOM 0 H ARG A 83 -7.681 1.248 -4.775 1.00 1.53 H new ATOM 0 HA ARG A 83 -9.771 1.875 -6.748 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -9.013 -0.854 -5.594 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -10.447 -0.563 -6.558 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -7.584 -0.199 -7.527 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -8.593 -1.594 -7.858 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -10.205 -0.156 -9.100 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -9.242 1.262 -8.734 1.00 1.81 H new ATOM 0 HE ARG A 83 -8.690 -0.775 -10.761 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -7.308 1.955 -8.996 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -5.870 1.977 -10.022 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -6.722 -0.781 -11.866 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -5.555 0.511 -11.561 1.00 1.82 H new ATOM 1378 N LEU A 84 -9.986 1.818 -3.600 1.00 1.56 N ATOM 1379 CA LEU A 84 -10.826 1.800 -2.400 1.00 1.57 C ATOM 1380 C LEU A 84 -11.079 3.206 -1.829 1.00 1.51 C ATOM 1381 O LEU A 84 -11.934 3.366 -0.966 1.00 1.54 O ATOM 1382 CB LEU A 84 -10.122 0.865 -1.401 1.00 1.56 C ATOM 1383 CG LEU A 84 -10.898 0.527 -0.127 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -12.219 -0.177 -0.412 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -10.053 -0.392 0.752 1.00 1.61 C ATOM 0 H LEU A 84 -9.038 2.158 -3.440 1.00 1.56 H new ATOM 0 HA LEU A 84 -11.826 1.433 -2.632 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -9.884 -0.067 -1.914 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -9.175 1.322 -1.114 1.00 1.56 H new ATOM 0 HG LEU A 84 -11.115 1.472 0.371 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -12.727 -0.393 0.528 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -12.849 0.467 -1.026 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -12.027 -1.109 -0.943 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -10.604 -0.634 1.661 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -9.828 -1.310 0.208 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -9.122 0.111 1.015 1.00 1.61 H new ATOM 1397 N ILE A 85 -10.368 4.227 -2.326 1.00 1.44 N ATOM 1398 CA ILE A 85 -10.713 5.632 -2.035 1.00 1.41 C ATOM 1399 C ILE A 85 -10.172 6.629 -3.058 1.00 1.39 C ATOM 1400 O ILE A 85 -10.786 7.675 -3.218 1.00 1.42 O ATOM 1401 CB ILE A 85 -10.349 6.028 -0.593 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -10.980 7.395 -0.236 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -8.836 6.027 -0.359 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -11.186 7.611 1.264 1.00 1.33 C ATOM 0 H ILE A 85 -9.554 4.111 -2.929 1.00 1.44 H new ATOM 0 HA ILE A 85 -11.798 5.687 -2.127 1.00 1.41 H new ATOM 0 HB ILE A 85 -10.764 5.273 0.075 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -10.343 8.190 -0.623 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -11.942 7.483 -0.741 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -8.627 6.312 0.672 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -8.439 5.029 -0.547 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -8.363 6.739 -1.035 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -11.632 8.591 1.433 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -11.848 6.839 1.655 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -10.225 7.557 1.775 1.00 1.33 H new ATOM 1416 N LEU A 86 -9.130 6.311 -3.834 1.00 1.37 N ATOM 1417 CA LEU A 86 -8.743 7.118 -5.000 1.00 1.39 C ATOM 1418 C LEU A 86 -9.937 7.460 -5.934 1.00 1.49 C ATOM 1419 O LEU A 86 -10.032 8.618 -6.351 1.00 1.52 O ATOM 1420 CB LEU A 86 -7.597 6.404 -5.733 1.00 1.37 C ATOM 1421 CG LEU A 86 -7.037 7.122 -6.974 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -6.521 8.529 -6.659 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -5.888 6.321 -7.575 1.00 1.40 C ATOM 0 H LEU A 86 -8.536 5.497 -3.676 1.00 1.37 H new ATOM 0 HA LEU A 86 -8.393 8.090 -4.651 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -6.781 6.251 -5.027 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -7.946 5.417 -6.036 1.00 1.37 H new ATOM 0 HG LEU A 86 -7.865 7.205 -7.678 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -6.138 8.988 -7.570 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -7.335 9.135 -6.262 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -5.722 8.467 -5.920 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -5.502 6.841 -8.452 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -5.093 6.215 -6.837 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -6.246 5.334 -7.867 1.00 1.40 H new ATOM 1435 N PRO A 87 -10.893 6.542 -6.224 1.00 1.58 N ATOM 1436 CA PRO A 87 -12.109 6.892 -6.969 1.00 1.69 C ATOM 1437 C PRO A 87 -13.157 7.703 -6.180 1.00 1.71 C ATOM 1438 O PRO A 87 -14.036 8.287 -6.820 1.00 1.80 O ATOM 1439 CB PRO A 87 -12.692 5.560 -7.455 1.00 1.78 C ATOM 1440 CG PRO A 87 -12.210 4.556 -6.415 1.00 1.71 C ATOM 1441 CD PRO A 87 -10.824 5.088 -6.067 1.00 1.59 C ATOM 0 HA PRO A 87 -11.840 7.566 -7.783 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -13.780 5.594 -7.505 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -12.334 5.306 -8.453 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -12.865 4.527 -5.544 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -12.168 3.543 -6.816 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -10.549 4.819 -5.047 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -10.067 4.661 -6.725 1.00 1.59 H new ATOM 1449 N TYR A 88 -13.096 7.778 -4.839 1.00 1.63 N ATOM 1450 CA TYR A 88 -14.109 8.485 -4.032 1.00 1.66 C ATOM 1451 C TYR A 88 -13.622 9.814 -3.424 1.00 1.59 C ATOM 1452 O TYR A 88 -14.409 10.755 -3.362 1.00 1.64 O ATOM 1453 CB TYR A 88 -14.756 7.532 -3.005 1.00 1.68 C ATOM 1454 CG TYR A 88 -16.159 7.058 -3.379 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -16.480 6.699 -4.708 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -17.159 6.978 -2.388 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -17.782 6.272 -5.038 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -18.464 6.561 -2.714 1.00 1.97 C ATOM 1459 CZ TYR A 88 -18.779 6.202 -4.043 1.00 2.05 C ATOM 1460 OH TYR A 88 -20.035 5.789 -4.370 1.00 2.17 O ATOM 0 H TYR A 88 -12.350 7.355 -4.287 1.00 1.63 H new ATOM 0 HA TYR A 88 -14.893 8.799 -4.721 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -14.113 6.661 -2.881 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -14.801 8.035 -2.039 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -15.722 6.752 -5.476 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -16.921 7.239 -1.367 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -18.017 5.998 -6.056 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -19.224 6.516 -1.948 1.00 1.97 H new ATOM 0 HH TYR A 88 -20.601 5.797 -3.570 1.00 2.17 H new ATOM 1470 N GLU A 89 -12.330 10.000 -3.118 1.00 1.50 N ATOM 1471 CA GLU A 89 -11.784 11.338 -2.791 1.00 1.46 C ATOM 1472 C GLU A 89 -12.014 12.357 -3.936 1.00 1.53 C ATOM 1473 O GLU A 89 -11.964 13.566 -3.723 1.00 1.55 O ATOM 1474 CB GLU A 89 -10.298 11.284 -2.374 1.00 1.36 C ATOM 1475 CG GLU A 89 -9.311 10.938 -3.502 1.00 1.35 C ATOM 1476 CD GLU A 89 -7.851 11.212 -3.086 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -7.259 10.402 -2.335 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -7.284 12.244 -3.530 1.00 1.29 O ATOM 0 H GLU A 89 -11.641 9.248 -3.088 1.00 1.50 H new ATOM 0 HA GLU A 89 -12.344 11.691 -1.925 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -10.020 12.251 -1.954 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -10.188 10.547 -1.578 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -9.421 9.888 -3.773 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -9.553 11.523 -4.389 1.00 1.35 H new ATOM 1485 N ARG A 90 -12.361 11.836 -5.124 1.00 1.61 N ATOM 1486 CA ARG A 90 -12.832 12.652 -6.250 1.00 1.71 C ATOM 1487 C ARG A 90 -13.985 13.607 -5.890 1.00 1.78 C ATOM 1488 O ARG A 90 -13.995 14.727 -6.400 1.00 1.83 O ATOM 1489 CB ARG A 90 -13.193 11.704 -7.410 1.00 1.78 C ATOM 1490 CG ARG A 90 -13.410 12.439 -8.739 1.00 1.89 C ATOM 1491 CD ARG A 90 -13.599 11.435 -9.882 1.00 1.97 C ATOM 1492 NE ARG A 90 -13.766 12.118 -11.179 1.00 2.08 N ATOM 1493 CZ ARG A 90 -13.753 11.556 -12.376 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -13.600 10.272 -12.539 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -13.895 12.283 -13.446 1.00 2.25 N ATOM 0 H ARG A 90 -12.322 10.838 -5.329 1.00 1.61 H new ATOM 0 HA ARG A 90 -12.027 13.322 -6.552 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -12.397 10.970 -7.533 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -14.098 11.153 -7.154 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -14.285 13.085 -8.666 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -12.556 13.082 -8.949 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -12.738 10.769 -9.929 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -14.472 10.814 -9.682 1.00 1.97 H new ATOM 0 HE ARG A 90 -13.906 13.128 -11.149 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -13.485 9.665 -11.727 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -13.595 9.874 -13.478 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -14.017 13.292 -13.364 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -13.884 11.843 -14.366 1.00 2.25 H new ATOM 1509 N PHE A 91 -14.908 13.243 -4.985 1.00 1.78 N ATOM 1510 CA PHE A 91 -15.925 14.197 -4.492 1.00 1.84 C ATOM 1511 C PHE A 91 -15.357 15.222 -3.490 1.00 1.78 C ATOM 1512 O PHE A 91 -15.830 16.356 -3.441 1.00 1.84 O ATOM 1513 CB PHE A 91 -17.184 13.488 -3.943 1.00 1.89 C ATOM 1514 CG PHE A 91 -17.061 12.724 -2.631 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -16.934 13.408 -1.402 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -17.128 11.317 -2.624 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -16.773 12.690 -0.203 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -16.957 10.602 -1.428 1.00 1.76 C ATOM 1519 CZ PHE A 91 -16.747 11.288 -0.225 1.00 1.70 C ATOM 0 H PHE A 91 -14.975 12.308 -4.582 1.00 1.78 H new ATOM 0 HA PHE A 91 -16.239 14.768 -5.366 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -17.963 14.240 -3.819 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -17.533 12.790 -4.704 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -16.961 14.487 -1.383 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -17.312 10.784 -3.545 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -16.670 13.218 0.733 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -16.987 9.522 -1.436 1.00 1.76 H new ATOM 0 HZ PHE A 91 -16.565 10.737 0.686 1.00 1.70 H new ATOM 1529 N ILE A 92 -14.308 14.865 -2.736 1.00 1.67 N ATOM 1530 CA ILE A 92 -13.683 15.785 -1.763 1.00 1.62 C ATOM 1531 C ILE A 92 -12.851 16.838 -2.507 1.00 1.64 C ATOM 1532 O ILE A 92 -12.902 18.027 -2.202 1.00 1.69 O ATOM 1533 CB ILE A 92 -12.802 15.002 -0.753 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -13.600 13.865 -0.070 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -12.222 15.959 0.306 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -12.779 12.959 0.855 1.00 1.43 C ATOM 0 H ILE A 92 -13.870 13.945 -2.778 1.00 1.67 H new ATOM 0 HA ILE A 92 -14.468 16.289 -1.200 1.00 1.62 H new ATOM 0 HB ILE A 92 -11.981 14.548 -1.308 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -14.411 14.308 0.507 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -14.058 13.249 -0.843 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -11.606 15.396 1.007 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -11.612 16.717 -0.184 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -13.037 16.442 0.845 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -13.427 12.195 1.285 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -11.984 12.481 0.284 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -12.342 13.556 1.655 1.00 1.43 H new ATOM 1548 N LYS A 93 -12.129 16.390 -3.536 1.00 1.63 N ATOM 1549 CA LYS A 93 -11.162 17.223 -4.262 1.00 1.66 C ATOM 1550 C LYS A 93 -11.763 17.913 -5.496 1.00 1.78 C ATOM 1551 O LYS A 93 -11.098 18.724 -6.142 1.00 1.82 O ATOM 1552 CB LYS A 93 -9.992 16.291 -4.608 1.00 1.58 C ATOM 1553 CG LYS A 93 -8.679 17.024 -4.908 1.00 1.58 C ATOM 1554 CD LYS A 93 -7.491 16.066 -4.768 1.00 1.49 C ATOM 1555 CE LYS A 93 -7.537 14.927 -5.797 1.00 1.50 C ATOM 1556 NZ LYS A 93 -6.447 13.957 -5.554 1.00 1.41 N ATOM 0 H LYS A 93 -12.197 15.437 -3.892 1.00 1.63 H new ATOM 0 HA LYS A 93 -10.830 18.059 -3.646 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -9.831 15.603 -3.778 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -10.265 15.687 -5.473 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -8.706 17.435 -5.917 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -8.560 17.865 -4.225 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -6.562 16.623 -4.887 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -7.483 15.645 -3.763 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -8.500 14.420 -5.742 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -7.449 15.336 -6.803 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -6.422 13.262 -6.327 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -5.538 14.460 -5.511 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -6.614 13.466 -4.652 1.00 1.41 H new ATOM 1570 N GLY A 94 -13.033 17.612 -5.786 1.00 1.84 N ATOM 1571 CA GLY A 94 -13.760 18.199 -6.916 1.00 1.97 C ATOM 1572 C GLY A 94 -15.017 18.977 -6.514 1.00 2.05 C ATOM 1573 O GLY A 94 -15.481 19.798 -7.302 1.00 2.15 O ATOM 0 H GLY A 94 -13.588 16.952 -5.241 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -13.090 18.867 -7.458 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -14.043 17.403 -7.605 1.00 1.97 H new ATOM 1577 N GLU A 95 -15.555 18.770 -5.300 1.00 2.00 N ATOM 1578 CA GLU A 95 -16.809 19.401 -4.838 1.00 2.08 C ATOM 1579 C GLU A 95 -16.801 19.815 -3.348 1.00 2.02 C ATOM 1580 O GLU A 95 -17.856 19.987 -2.730 1.00 2.07 O ATOM 1581 CB GLU A 95 -18.024 18.498 -5.160 1.00 2.13 C ATOM 1582 CG GLU A 95 -18.207 18.170 -6.648 1.00 2.21 C ATOM 1583 CD GLU A 95 -19.519 17.400 -6.886 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -20.575 18.041 -7.117 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -19.506 16.144 -6.862 1.00 2.26 O ATOM 0 H GLU A 95 -15.131 18.156 -4.605 1.00 2.00 H new ATOM 0 HA GLU A 95 -16.895 20.334 -5.394 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -17.921 17.564 -4.607 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -18.928 18.986 -4.796 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -18.212 19.092 -7.229 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -17.364 17.576 -7.000 1.00 2.21 H new ATOM 1592 N GLU A 96 -15.615 20.018 -2.760 1.00 1.94 N ATOM 1593 CA GLU A 96 -15.463 20.536 -1.386 1.00 1.90 C ATOM 1594 C GLU A 96 -14.153 21.319 -1.136 1.00 1.87 C ATOM 1595 O GLU A 96 -14.196 22.412 -0.571 1.00 1.92 O ATOM 1596 CB GLU A 96 -15.608 19.381 -0.371 1.00 1.82 C ATOM 1597 CG GLU A 96 -15.748 19.891 1.068 1.00 1.81 C ATOM 1598 CD GLU A 96 -16.047 18.735 2.043 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -17.242 18.419 2.265 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -15.094 18.149 2.610 1.00 1.68 O ATOM 0 H GLU A 96 -14.726 19.828 -3.223 1.00 1.94 H new ATOM 0 HA GLU A 96 -16.262 21.264 -1.248 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -16.480 18.780 -0.629 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -14.739 18.727 -0.440 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -14.830 20.395 1.369 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -16.548 20.629 1.119 1.00 1.81 H new ATOM 1607 N ASP A 97 -13.007 20.773 -1.529 1.00 1.80 N ATOM 1608 CA ASP A 97 -11.738 21.462 -1.297 1.00 1.78 C ATOM 1609 C ASP A 97 -10.617 20.884 -2.151 1.00 1.87 C ATOM 1610 O ASP A 97 -10.551 19.674 -2.366 1.00 2.33 O ATOM 1611 CB ASP A 97 -11.348 21.367 0.180 1.00 1.78 C ATOM 1612 CG ASP A 97 -10.718 22.644 0.697 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -11.470 23.552 1.113 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -9.473 22.737 0.687 1.00 2.20 O ATOM 0 H ASP A 97 -12.928 19.872 -2.001 1.00 1.80 H new ATOM 0 HA ASP A 97 -11.879 22.506 -1.578 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -12.234 21.137 0.772 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -10.650 20.541 0.316 1.00 1.78 H new ATOM 1619 N LYS A 98 -9.731 21.758 -2.619 1.00 1.90 N ATOM 1620 CA LYS A 98 -8.600 21.339 -3.442 1.00 2.13 C ATOM 1621 C LYS A 98 -7.403 22.276 -3.252 1.00 2.94 C ATOM 1622 O LYS A 98 -7.160 23.164 -4.071 1.00 3.42 O ATOM 1623 CB LYS A 98 -9.007 21.300 -4.919 1.00 2.05 C ATOM 1624 CG LYS A 98 -8.047 20.509 -5.794 1.00 2.30 C ATOM 1625 CD LYS A 98 -8.485 20.516 -7.251 1.00 2.83 C ATOM 1626 CE LYS A 98 -7.812 19.406 -8.045 1.00 3.09 C ATOM 1627 NZ LYS A 98 -6.331 19.458 -7.926 1.00 3.68 N ATOM 0 H LYS A 98 -9.774 22.762 -2.442 1.00 1.90 H new ATOM 0 HA LYS A 98 -8.304 20.339 -3.126 1.00 2.13 H new ATOM 0 HB2 LYS A 98 -10.003 20.865 -5.001 1.00 2.05 H new ATOM 0 HB3 LYS A 98 -9.073 22.321 -5.296 1.00 2.05 H new ATOM 0 HG2 LYS A 98 -7.046 20.932 -5.712 1.00 2.30 H new ATOM 0 HG3 LYS A 98 -7.989 19.481 -5.435 1.00 2.30 H new ATOM 0 HD2 LYS A 98 -9.567 20.399 -7.306 1.00 2.83 H new ATOM 0 HD3 LYS A 98 -8.246 21.481 -7.699 1.00 2.83 H new ATOM 0 HE2 LYS A 98 -8.171 18.439 -7.693 1.00 3.09 H new ATOM 0 HE3 LYS A 98 -8.095 19.488 -9.094 1.00 3.09 H new ATOM 0 HZ1 LYS A 98 -5.917 18.620 -8.381 1.00 3.68 H new ATOM 0 HZ2 LYS A 98 -5.975 20.317 -8.392 1.00 3.68 H new ATOM 0 HZ3 LYS A 98 -6.064 19.474 -6.921 1.00 3.68 H new ATOM 1641 N PRO A 99 -6.644 22.104 -2.150 1.00 3.57 N ATOM 1642 CA PRO A 99 -5.473 22.927 -1.860 1.00 4.60 C ATOM 1643 C PRO A 99 -4.178 22.342 -2.430 1.00 4.87 C ATOM 1644 O PRO A 99 -3.111 22.942 -2.308 1.00 5.78 O ATOM 1645 CB PRO A 99 -5.444 22.912 -0.336 1.00 5.30 C ATOM 1646 CG PRO A 99 -5.944 21.552 0.031 1.00 4.88 C ATOM 1647 CD PRO A 99 -6.882 21.116 -1.076 1.00 3.76 C ATOM 0 HA PRO A 99 -5.538 23.920 -2.306 1.00 4.60 H new ATOM 0 HB2 PRO A 99 -4.437 23.081 0.044 1.00 5.30 H new ATOM 0 HB3 PRO A 99 -6.078 23.695 0.081 1.00 5.30 H new ATOM 0 HG2 PRO A 99 -5.116 20.851 0.134 1.00 4.88 H new ATOM 0 HG3 PRO A 99 -6.462 21.577 0.989 1.00 4.88 H new ATOM 0 HD2 PRO A 99 -6.663 20.102 -1.410 1.00 3.76 H new ATOM 0 HD3 PRO A 99 -7.921 21.126 -0.747 1.00 3.76 H new ATOM 1655 N LEU A 100 -4.282 21.167 -3.049 1.00 4.16 N ATOM 1656 CA LEU A 100 -3.125 20.503 -3.637 1.00 4.45 C ATOM 1657 C LEU A 100 -3.387 20.171 -5.106 1.00 4.49 C ATOM 1658 O LEU A 100 -3.993 19.146 -5.422 1.00 4.18 O ATOM 1659 CB LEU A 100 -2.786 19.227 -2.856 1.00 4.19 C ATOM 1660 CG LEU A 100 -1.589 18.427 -3.386 1.00 4.60 C ATOM 1661 CD1 LEU A 100 -0.320 19.264 -3.332 1.00 4.86 C ATOM 1662 CD2 LEU A 100 -1.416 17.141 -2.590 1.00 4.95 C ATOM 0 H LEU A 100 -5.159 20.656 -3.155 1.00 4.16 H new ATOM 0 HA LEU A 100 -2.274 21.182 -3.582 1.00 4.45 H new ATOM 0 HB2 LEU A 100 -2.589 19.498 -1.819 1.00 4.19 H new ATOM 0 HB3 LEU A 100 -3.662 18.579 -2.855 1.00 4.19 H new ATOM 0 HG LEU A 100 -1.782 18.166 -4.426 1.00 4.60 H new ATOM 0 HD11 LEU A 100 0.518 18.679 -3.712 1.00 4.86 H new ATOM 0 HD12 LEU A 100 -0.447 20.157 -3.944 1.00 4.86 H new ATOM 0 HD13 LEU A 100 -0.121 19.556 -2.301 1.00 4.86 H new ATOM 0 HD21 LEU A 100 -0.563 16.585 -2.978 1.00 4.95 H new ATOM 0 HD22 LEU A 100 -1.245 17.383 -1.541 1.00 4.95 H new ATOM 0 HD23 LEU A 100 -2.317 16.533 -2.680 1.00 4.95 H new ATOM 1674 N PRO A 101 -2.931 21.044 -6.022 1.00 5.19 N ATOM 1675 CA PRO A 101 -3.116 20.851 -7.464 1.00 5.67 C ATOM 1676 C PRO A 101 -2.145 19.823 -8.052 1.00 5.64 C ATOM 1677 O PRO A 101 -1.126 19.499 -7.437 1.00 5.32 O ATOM 1678 CB PRO A 101 -2.833 22.242 -8.035 1.00 6.54 C ATOM 1679 CG PRO A 101 -1.884 22.866 -7.070 1.00 6.50 C ATOM 1680 CD PRO A 101 -2.205 22.293 -5.717 1.00 5.81 C ATOM 0 HA PRO A 101 -4.107 20.464 -7.701 1.00 5.67 H new ATOM 0 HB2 PRO A 101 -2.398 22.179 -9.032 1.00 6.54 H new ATOM 0 HB3 PRO A 101 -3.749 22.827 -8.123 1.00 6.54 H new ATOM 0 HG2 PRO A 101 -0.852 22.650 -7.347 1.00 6.50 H new ATOM 0 HG3 PRO A 101 -1.993 23.951 -7.067 1.00 6.50 H new ATOM 0 HD2 PRO A 101 -1.300 22.098 -5.141 1.00 5.81 H new ATOM 0 HD3 PRO A 101 -2.817 22.977 -5.129 1.00 5.81 H new ATOM 1688 N PRO A 102 -2.455 19.291 -9.258 1.00 6.15 N ATOM 1689 CA PRO A 102 -1.603 18.305 -9.935 1.00 6.45 C ATOM 1690 C PRO A 102 -0.406 18.943 -10.642 1.00 6.96 C ATOM 1691 O PRO A 102 0.204 18.330 -11.520 1.00 7.31 O ATOM 1692 CB PRO A 102 -2.549 17.681 -10.958 1.00 7.14 C ATOM 1693 CG PRO A 102 -3.506 18.772 -11.297 1.00 7.42 C ATOM 1694 CD PRO A 102 -3.670 19.595 -10.045 1.00 6.66 C ATOM 0 HA PRO A 102 -1.167 17.594 -9.233 1.00 6.45 H new ATOM 0 HB2 PRO A 102 -2.009 17.339 -11.841 1.00 7.14 H new ATOM 0 HB3 PRO A 102 -3.065 16.815 -10.544 1.00 7.14 H new ATOM 0 HG2 PRO A 102 -3.126 19.382 -12.116 1.00 7.42 H new ATOM 0 HG3 PRO A 102 -4.463 18.363 -11.622 1.00 7.42 H new ATOM 0 HD2 PRO A 102 -3.743 20.658 -10.273 1.00 6.66 H new ATOM 0 HD3 PRO A 102 -4.576 19.322 -9.503 1.00 6.66 H new ATOM 1702 N ILE A 103 -0.085 20.178 -10.263 1.00 7.14 N ATOM 1703 CA ILE A 103 1.042 20.897 -10.846 1.00 7.71 C ATOM 1704 C ILE A 103 2.343 20.521 -10.131 1.00 7.31 C ATOM 1705 O ILE A 103 3.436 20.847 -10.596 1.00 7.64 O ATOM 1706 CB ILE A 103 0.821 22.434 -10.793 1.00 8.28 C ATOM 1707 CG1 ILE A 103 1.733 23.161 -11.790 1.00 9.04 C ATOM 1708 CG2 ILE A 103 1.040 22.974 -9.390 1.00 8.23 C ATOM 1709 CD1 ILE A 103 1.324 22.970 -13.233 1.00 9.66 C ATOM 0 H ILE A 103 -0.593 20.703 -9.551 1.00 7.14 H new ATOM 0 HA ILE A 103 1.118 20.605 -11.894 1.00 7.71 H new ATOM 0 HB ILE A 103 -0.215 22.622 -11.075 1.00 8.28 H new ATOM 0 HG12 ILE A 103 1.734 24.226 -11.559 1.00 9.04 H new ATOM 0 HG13 ILE A 103 2.755 22.806 -11.661 1.00 9.04 H new ATOM 0 HG21 ILE A 103 0.878 24.052 -9.386 1.00 8.23 H new ATOM 0 HG22 ILE A 103 0.339 22.499 -8.704 1.00 8.23 H new ATOM 0 HG23 ILE A 103 2.060 22.759 -9.073 1.00 8.23 H new ATOM 0 HD11 ILE A 103 2.013 23.512 -13.881 1.00 9.66 H new ATOM 0 HD12 ILE A 103 1.350 21.909 -13.481 1.00 9.66 H new ATOM 0 HD13 ILE A 103 0.313 23.351 -13.378 1.00 9.66 H new ATOM 1721 N LYS A 104 2.208 19.819 -9.000 1.00 6.73 N ATOM 1722 CA LYS A 104 3.359 19.384 -8.215 1.00 6.37 C ATOM 1723 C LYS A 104 4.019 18.163 -8.862 1.00 5.89 C ATOM 1724 O LYS A 104 3.403 17.100 -8.966 1.00 5.68 O ATOM 1725 CB LYS A 104 2.928 19.045 -6.783 1.00 6.44 C ATOM 1726 CG LYS A 104 3.835 19.641 -5.718 1.00 6.74 C ATOM 1727 CD LYS A 104 3.621 21.141 -5.581 1.00 7.08 C ATOM 1728 CE LYS A 104 4.596 21.757 -4.590 1.00 7.57 C ATOM 1729 NZ LYS A 104 4.437 21.189 -3.224 1.00 8.00 N ATOM 0 H LYS A 104 1.307 19.541 -8.610 1.00 6.73 H new ATOM 0 HA LYS A 104 4.082 20.199 -8.185 1.00 6.37 H new ATOM 0 HB2 LYS A 104 1.911 19.403 -6.624 1.00 6.44 H new ATOM 0 HB3 LYS A 104 2.907 17.962 -6.666 1.00 6.44 H new ATOM 0 HG2 LYS A 104 3.642 19.156 -4.761 1.00 6.74 H new ATOM 0 HG3 LYS A 104 4.876 19.442 -5.972 1.00 6.74 H new ATOM 0 HD2 LYS A 104 3.741 21.617 -6.554 1.00 7.08 H new ATOM 0 HD3 LYS A 104 2.599 21.335 -5.255 1.00 7.08 H new ATOM 0 HE2 LYS A 104 5.617 21.591 -4.935 1.00 7.57 H new ATOM 0 HE3 LYS A 104 4.443 22.836 -4.554 1.00 7.57 H new ATOM 0 HZ1 LYS A 104 5.009 21.738 -2.551 1.00 8.00 H new ATOM 0 HZ2 LYS A 104 3.436 21.232 -2.944 1.00 8.00 H new ATOM 0 HZ3 LYS A 104 4.755 20.199 -3.221 1.00 8.00 H new ATOM 1743 N PRO A 105 5.281 18.305 -9.310 1.00 5.95 N ATOM 1744 CA PRO A 105 6.024 17.214 -9.950 1.00 5.79 C ATOM 1745 C PRO A 105 6.552 16.178 -8.952 1.00 5.46 C ATOM 1746 O PRO A 105 6.566 14.981 -9.239 1.00 5.28 O ATOM 1747 CB PRO A 105 7.175 17.937 -10.650 1.00 6.33 C ATOM 1748 CG PRO A 105 7.402 19.173 -9.846 1.00 6.61 C ATOM 1749 CD PRO A 105 6.073 19.549 -9.241 1.00 6.47 C ATOM 0 HA PRO A 105 5.392 16.636 -10.624 1.00 5.79 H new ATOM 0 HB2 PRO A 105 8.070 17.316 -10.680 1.00 6.33 H new ATOM 0 HB3 PRO A 105 6.920 18.179 -11.682 1.00 6.33 H new ATOM 0 HG2 PRO A 105 8.145 18.997 -9.068 1.00 6.61 H new ATOM 0 HG3 PRO A 105 7.783 19.978 -10.474 1.00 6.61 H new ATOM 0 HD2 PRO A 105 6.186 19.893 -8.213 1.00 6.47 H new ATOM 0 HD3 PRO A 105 5.596 20.356 -9.797 1.00 6.47 H new ATOM 1757 N ARG A 106 6.991 16.644 -7.785 1.00 5.56 N ATOM 1758 CA ARG A 106 7.503 15.753 -6.747 1.00 5.43 C ATOM 1759 C ARG A 106 6.827 16.084 -5.412 1.00 5.72 C ATOM 1760 O ARG A 106 5.598 16.106 -5.327 1.00 6.01 O ATOM 1761 CB ARG A 106 9.035 15.868 -6.642 1.00 5.69 C ATOM 1762 CG ARG A 106 9.718 14.603 -6.118 1.00 6.20 C ATOM 1763 CD ARG A 106 11.241 14.733 -6.121 1.00 6.57 C ATOM 1764 NE ARG A 106 11.911 13.517 -5.631 1.00 6.84 N ATOM 1765 CZ ARG A 106 13.231 13.288 -5.735 1.00 7.39 C ATOM 1766 NH1 ARG A 106 14.021 14.192 -6.298 1.00 7.71 N ATOM 1767 NH2 ARG A 106 13.762 12.154 -5.272 1.00 7.84 N ATOM 0 H ARG A 106 7.002 17.633 -7.535 1.00 5.56 H new ATOM 0 HA ARG A 106 7.270 14.721 -7.009 1.00 5.43 H new ATOM 0 HB2 ARG A 106 9.440 16.107 -7.626 1.00 5.69 H new ATOM 0 HB3 ARG A 106 9.283 16.701 -5.985 1.00 5.69 H new ATOM 0 HG2 ARG A 106 9.373 14.398 -5.104 1.00 6.20 H new ATOM 0 HG3 ARG A 106 9.425 13.752 -6.732 1.00 6.20 H new ATOM 0 HD2 ARG A 106 11.582 14.949 -7.133 1.00 6.57 H new ATOM 0 HD3 ARG A 106 11.532 15.580 -5.499 1.00 6.57 H new ATOM 0 HE ARG A 106 11.336 12.803 -5.184 1.00 6.84 H new ATOM 0 HH11 ARG A 106 13.627 15.063 -6.653 1.00 7.71 H new ATOM 0 HH12 ARG A 106 15.023 14.016 -6.376 1.00 7.71 H new ATOM 0 HH21 ARG A 106 13.165 11.452 -4.835 1.00 7.84 H new ATOM 0 HH22 ARG A 106 14.765 11.989 -5.356 1.00 7.84 H new ATOM 1781 N LYS A 107 7.624 16.336 -4.378 1.00 5.92 N ATOM 1782 CA LYS A 107 7.095 16.673 -3.060 1.00 6.42 C ATOM 1783 C LYS A 107 6.360 18.015 -3.082 1.00 6.87 C ATOM 1784 O LYS A 107 5.145 18.025 -2.788 1.00 7.06 O ATOM 1785 CB LYS A 107 8.225 16.701 -2.027 1.00 6.74 C ATOM 1786 CG LYS A 107 9.506 17.346 -2.530 1.00 7.12 C ATOM 1787 CD LYS A 107 10.547 17.446 -1.432 1.00 7.73 C ATOM 1788 CE LYS A 107 11.813 18.111 -1.938 1.00 8.18 C ATOM 1789 NZ LYS A 107 12.821 18.278 -0.858 1.00 8.47 N ATOM 1790 OXT LYS A 107 6.996 19.041 -3.405 1.00 7.27 O ATOM 0 H LYS A 107 8.643 16.313 -4.428 1.00 5.92 H new ATOM 0 HA LYS A 107 6.376 15.903 -2.779 1.00 6.42 H new ATOM 0 HB2 LYS A 107 7.882 17.239 -1.143 1.00 6.74 H new ATOM 0 HB3 LYS A 107 8.443 15.680 -1.714 1.00 6.74 H new ATOM 0 HG2 LYS A 107 9.906 16.764 -3.360 1.00 7.12 H new ATOM 0 HG3 LYS A 107 9.286 18.341 -2.916 1.00 7.12 H new ATOM 0 HD2 LYS A 107 10.143 18.015 -0.595 1.00 7.73 H new ATOM 0 HD3 LYS A 107 10.781 16.450 -1.057 1.00 7.73 H new ATOM 0 HE2 LYS A 107 12.240 17.514 -2.744 1.00 8.18 H new ATOM 0 HE3 LYS A 107 11.568 19.086 -2.359 1.00 8.18 H new ATOM 0 HZ1 LYS A 107 13.671 18.736 -1.244 1.00 8.47 H new ATOM 0 HZ2 LYS A 107 12.423 18.869 -0.100 1.00 8.47 H new ATOM 0 HZ3 LYS A 107 13.075 17.346 -0.473 1.00 8.47 H new TER 1804 LYS A 107 ATOM 1805 OP3 DT B 1 -7.180 -26.473 -3.904 1.00 2.61 O ATOM 1806 P DT B 1 -6.945 -27.301 -5.242 1.00 2.20 P ATOM 1807 OP1 DT B 1 -5.541 -27.089 -5.686 1.00 2.80 O ATOM 1808 OP2 DT B 1 -7.437 -28.683 -5.014 1.00 2.56 O ATOM 1809 O5' DT B 1 -7.914 -26.592 -6.285 1.00 2.08 O ATOM 1810 C5' DT B 1 -8.177 -27.173 -7.559 1.00 2.25 C ATOM 1811 C4' DT B 1 -8.653 -26.121 -8.541 1.00 2.22 C ATOM 1812 O4' DT B 1 -9.857 -25.519 -8.002 1.00 2.06 O ATOM 1813 C3' DT B 1 -7.645 -24.974 -8.666 1.00 2.18 C ATOM 1814 O3' DT B 1 -7.823 -24.190 -9.860 1.00 2.29 O ATOM 1815 C2' DT B 1 -8.049 -24.052 -7.536 1.00 1.96 C ATOM 1816 C1' DT B 1 -9.558 -24.214 -7.547 1.00 1.91 C ATOM 1817 N1 DT B 1 -10.229 -23.918 -6.260 1.00 1.72 N ATOM 1818 C2 DT B 1 -10.916 -22.719 -6.225 1.00 1.61 C ATOM 1819 O2 DT B 1 -11.062 -22.003 -7.202 1.00 1.71 O ATOM 1820 N3 DT B 1 -11.429 -22.387 -5.005 1.00 1.49 N ATOM 1821 C4 DT B 1 -11.360 -23.112 -3.843 1.00 1.49 C ATOM 1822 O4 DT B 1 -11.798 -22.622 -2.798 1.00 1.48 O ATOM 1823 C5 DT B 1 -10.673 -24.393 -3.956 1.00 1.64 C ATOM 1824 C7 DT B 1 -10.582 -25.270 -2.746 1.00 1.78 C ATOM 1825 C6 DT B 1 -10.148 -24.734 -5.151 1.00 1.74 C ATOM 0 H5' DT B 1 -8.932 -27.953 -7.460 1.00 2.25 H new ATOM 0 H5'' DT B 1 -7.274 -27.651 -7.940 1.00 2.25 H new ATOM 0 H4' DT B 1 -8.799 -26.605 -9.507 1.00 2.22 H new ATOM 0 H3' DT B 1 -6.628 -25.367 -8.665 1.00 2.18 H new ATOM 0 H2' DT B 1 -7.610 -24.351 -6.584 1.00 1.96 H new ATOM 0 H2'' DT B 1 -7.745 -23.021 -7.717 1.00 1.96 H new ATOM 0 H1' DT B 1 -9.961 -23.461 -8.224 1.00 1.91 H new ATOM 0 H3 DT B 1 -11.921 -21.495 -4.951 1.00 1.49 H new ATOM 0 H71 DT B 1 -10.554 -26.315 -3.055 1.00 1.78 H new ATOM 0 H72 DT B 1 -9.675 -25.031 -2.191 1.00 1.78 H new ATOM 0 H73 DT B 1 -11.451 -25.103 -2.110 1.00 1.78 H new ATOM 0 H6 DT B 1 -9.644 -25.685 -5.243 1.00 1.74 H new ATOM 1839 P DA B 2 -6.798 -22.965 -10.161 1.00 2.27 P ATOM 1840 OP1 DA B 2 -6.848 -22.517 -11.567 1.00 2.47 O ATOM 1841 OP2 DA B 2 -5.468 -23.391 -9.660 1.00 2.19 O ATOM 1842 O5' DA B 2 -7.384 -21.830 -9.204 1.00 2.12 O ATOM 1843 C5' DA B 2 -8.804 -21.541 -9.254 1.00 2.18 C ATOM 1844 C4' DA B 2 -9.035 -20.068 -9.009 1.00 2.16 C ATOM 1845 O4' DA B 2 -8.983 -19.821 -7.567 1.00 1.98 O ATOM 1846 C3' DA B 2 -7.995 -19.113 -9.592 1.00 2.19 C ATOM 1847 O3' DA B 2 -8.522 -17.805 -9.798 1.00 2.28 O ATOM 1848 C2' DA B 2 -6.935 -19.060 -8.504 1.00 1.97 C ATOM 1849 C1' DA B 2 -7.775 -19.165 -7.237 1.00 1.86 C ATOM 1850 N9 DA B 2 -7.122 -19.938 -6.145 1.00 1.69 N ATOM 1851 C8 DA B 2 -6.343 -21.059 -6.251 1.00 1.68 C ATOM 1852 N7 DA B 2 -5.921 -21.506 -5.107 1.00 1.57 N ATOM 1853 C5 DA B 2 -6.444 -20.614 -4.188 1.00 1.48 C ATOM 1854 C6 DA B 2 -6.359 -20.538 -2.782 1.00 1.40 C ATOM 1855 N6 DA B 2 -5.667 -21.419 -2.041 1.00 1.38 N ATOM 1856 N1 DA B 2 -7.006 -19.530 -2.178 1.00 1.40 N ATOM 1857 C2 DA B 2 -7.685 -18.663 -2.923 1.00 1.49 C ATOM 1858 N3 DA B 2 -7.845 -18.628 -4.228 1.00 1.58 N ATOM 1859 C4 DA B 2 -7.188 -19.651 -4.806 1.00 1.56 C ATOM 0 H5' DA B 2 -9.331 -22.131 -8.504 1.00 2.18 H new ATOM 0 H5'' DA B 2 -9.208 -21.825 -10.225 1.00 2.18 H new ATOM 0 H4' DA B 2 -9.991 -19.869 -9.494 1.00 2.16 H new ATOM 0 H3' DA B 2 -7.634 -19.447 -10.565 1.00 2.19 H new ATOM 0 H2' DA B 2 -6.221 -19.880 -8.589 1.00 1.97 H new ATOM 0 H2'' DA B 2 -6.362 -18.134 -8.538 1.00 1.97 H new ATOM 0 H1' DA B 2 -7.925 -18.150 -6.869 1.00 1.86 H new ATOM 0 H8 DA B 2 -6.103 -21.526 -7.195 1.00 1.68 H new ATOM 0 H61 DA B 2 -5.637 -21.320 -1.026 1.00 1.38 H new ATOM 0 H62 DA B 2 -5.172 -22.187 -2.493 1.00 1.38 H new ATOM 0 H2 DA B 2 -8.177 -17.872 -2.377 1.00 1.49 H new ATOM 1871 P DC B 3 -7.530 -16.554 -9.812 1.00 2.25 P ATOM 1872 OP1 DC B 3 -8.050 -15.518 -10.723 1.00 2.46 O ATOM 1873 OP2 DC B 3 -6.152 -17.028 -10.087 1.00 2.18 O ATOM 1874 O5' DC B 3 -7.630 -16.054 -8.301 1.00 2.07 O ATOM 1875 C5' DC B 3 -8.939 -15.917 -7.695 1.00 2.12 C ATOM 1876 C4' DC B 3 -8.936 -14.755 -6.729 1.00 2.08 C ATOM 1877 O4' DC B 3 -8.343 -15.196 -5.468 1.00 1.87 O ATOM 1878 C3' DC B 3 -8.103 -13.540 -7.133 1.00 2.12 C ATOM 1879 O3' DC B 3 -8.554 -12.344 -6.501 1.00 2.20 O ATOM 1880 C2' DC B 3 -6.719 -13.889 -6.610 1.00 1.90 C ATOM 1881 C1' DC B 3 -7.045 -14.649 -5.331 1.00 1.76 C ATOM 1882 N1 DC B 3 -6.109 -15.769 -5.043 1.00 1.58 N ATOM 1883 C2 DC B 3 -5.758 -16.000 -3.715 1.00 1.43 C ATOM 1884 O2 DC B 3 -6.230 -15.268 -2.836 1.00 1.46 O ATOM 1885 N3 DC B 3 -4.904 -17.015 -3.433 1.00 1.31 N ATOM 1886 C4 DC B 3 -4.410 -17.788 -4.408 1.00 1.34 C ATOM 1887 N4 DC B 3 -3.585 -18.767 -4.075 1.00 1.29 N ATOM 1888 C5 DC B 3 -4.752 -17.568 -5.778 1.00 1.50 C ATOM 1889 C6 DC B 3 -5.612 -16.546 -6.039 1.00 1.61 C ATOM 0 H5' DC B 3 -9.206 -16.836 -7.173 1.00 2.12 H new ATOM 0 H5'' DC B 3 -9.692 -15.759 -8.467 1.00 2.12 H new ATOM 0 H4' DC B 3 -9.982 -14.452 -6.684 1.00 2.08 H new ATOM 0 H3' DC B 3 -8.153 -13.350 -8.205 1.00 2.12 H new ATOM 0 H2' DC B 3 -6.158 -14.501 -7.317 1.00 1.90 H new ATOM 0 H2'' DC B 3 -6.121 -12.999 -6.414 1.00 1.90 H new ATOM 0 H1' DC B 3 -6.963 -13.939 -4.508 1.00 1.76 H new ATOM 0 H41 DC B 3 -3.193 -19.372 -4.797 1.00 1.29 H new ATOM 0 H42 DC B 3 -3.341 -18.917 -3.096 1.00 1.29 H new ATOM 0 H5 DC B 3 -4.347 -18.183 -6.568 1.00 1.50 H new ATOM 0 H6 DC B 3 -5.905 -16.349 -7.060 1.00 1.61 H new ATOM 1901 P DA B 4 -7.534 -11.137 -6.292 1.00 2.17 P ATOM 1902 OP1 DA B 4 -8.258 -9.852 -6.360 1.00 2.39 O ATOM 1903 OP2 DA B 4 -6.396 -11.290 -7.230 1.00 2.13 O ATOM 1904 O5' DA B 4 -7.031 -11.402 -4.801 1.00 1.97 O ATOM 1905 C5' DA B 4 -8.013 -11.691 -3.775 1.00 2.00 C ATOM 1906 C4' DA B 4 -7.561 -11.113 -2.456 1.00 1.94 C ATOM 1907 O4' DA B 4 -6.588 -12.025 -1.854 1.00 1.72 O ATOM 1908 C3' DA B 4 -6.830 -9.774 -2.518 1.00 1.99 C ATOM 1909 O3' DA B 4 -6.917 -9.054 -1.290 1.00 2.06 O ATOM 1910 C2' DA B 4 -5.387 -10.184 -2.757 1.00 1.77 C ATOM 1911 C1' DA B 4 -5.288 -11.476 -1.956 1.00 1.61 C ATOM 1912 N9 DA B 4 -4.412 -12.503 -2.582 1.00 1.44 N ATOM 1913 C8 DA B 4 -4.264 -12.796 -3.910 1.00 1.47 C ATOM 1914 N7 DA B 4 -3.419 -13.757 -4.140 1.00 1.33 N ATOM 1915 C5 DA B 4 -2.970 -14.110 -2.880 1.00 1.19 C ATOM 1916 C6 DA B 4 -2.049 -15.083 -2.437 1.00 1.06 C ATOM 1917 N6 DA B 4 -1.385 -15.900 -3.272 1.00 1.05 N ATOM 1918 N1 DA B 4 -1.841 -15.180 -1.115 1.00 1.02 N ATOM 1919 C2 DA B 4 -2.503 -14.367 -0.298 1.00 1.11 C ATOM 1920 N3 DA B 4 -3.384 -13.432 -0.582 1.00 1.24 N ATOM 1921 C4 DA B 4 -3.573 -13.360 -1.914 1.00 1.26 C ATOM 0 H5' DA B 4 -8.149 -12.768 -3.683 1.00 2.00 H new ATOM 0 H5'' DA B 4 -8.979 -11.270 -4.055 1.00 2.00 H new ATOM 0 H4' DA B 4 -8.489 -10.971 -1.903 1.00 1.94 H new ATOM 0 H3' DA B 4 -7.250 -9.117 -3.280 1.00 1.99 H new ATOM 0 H2' DA B 4 -5.178 -10.343 -3.815 1.00 1.77 H new ATOM 0 H2'' DA B 4 -4.684 -9.430 -2.403 1.00 1.77 H new ATOM 0 H1' DA B 4 -4.852 -11.222 -0.990 1.00 1.61 H new ATOM 0 H8 DA B 4 -4.798 -12.278 -4.693 1.00 1.47 H new ATOM 0 H61 DA B 4 -0.729 -16.587 -2.899 1.00 1.05 H new ATOM 0 H62 DA B 4 -1.537 -15.833 -4.278 1.00 1.05 H new ATOM 0 H2 DA B 4 -2.286 -14.492 0.753 1.00 1.11 H new ATOM 1933 P DA B 5 -5.791 -7.985 -0.930 1.00 2.04 P ATOM 1934 OP1 DA B 5 -6.377 -6.894 -0.127 1.00 2.25 O ATOM 1935 OP2 DA B 5 -5.089 -7.575 -2.169 1.00 2.01 O ATOM 1936 O5' DA B 5 -4.805 -8.855 -0.026 1.00 1.83 O ATOM 1937 C5' DA B 5 -5.365 -9.683 1.022 1.00 1.84 C ATOM 1938 C4' DA B 5 -4.415 -9.735 2.197 1.00 1.79 C ATOM 1939 O4' DA B 5 -3.372 -10.721 1.910 1.00 1.56 O ATOM 1940 C3' DA B 5 -3.647 -8.452 2.505 1.00 1.85 C ATOM 1941 O3' DA B 5 -3.218 -8.394 3.862 1.00 1.93 O ATOM 1942 C2' DA B 5 -2.430 -8.561 1.599 1.00 1.64 C ATOM 1943 C1' DA B 5 -2.158 -10.060 1.612 1.00 1.47 C ATOM 1944 N9 DA B 5 -1.660 -10.589 0.314 1.00 1.29 N ATOM 1945 C8 DA B 5 -2.031 -10.221 -0.951 1.00 1.33 C ATOM 1946 N7 DA B 5 -1.414 -10.878 -1.887 1.00 1.20 N ATOM 1947 C5 DA B 5 -0.570 -11.725 -1.194 1.00 1.03 C ATOM 1948 C6 DA B 5 0.362 -12.696 -1.619 1.00 0.89 C ATOM 1949 N6 DA B 5 0.603 -12.963 -2.912 1.00 0.91 N ATOM 1950 N1 DA B 5 1.028 -13.370 -0.670 1.00 0.84 N ATOM 1951 C2 DA B 5 0.781 -13.095 0.608 1.00 0.93 C ATOM 1952 N3 DA B 5 -0.058 -12.228 1.129 1.00 1.07 N ATOM 1953 C4 DA B 5 -0.712 -11.570 0.154 1.00 1.10 C ATOM 0 H5' DA B 5 -5.547 -10.689 0.645 1.00 1.84 H new ATOM 0 H5'' DA B 5 -6.328 -9.283 1.339 1.00 1.84 H new ATOM 0 H4' DA B 5 -5.061 -9.956 3.046 1.00 1.79 H new ATOM 0 H3' DA B 5 -4.257 -7.563 2.346 1.00 1.85 H new ATOM 0 H2' DA B 5 -2.635 -8.192 0.594 1.00 1.64 H new ATOM 0 H2'' DA B 5 -1.584 -7.990 1.981 1.00 1.64 H new ATOM 0 H1' DA B 5 -1.380 -10.238 2.355 1.00 1.47 H new ATOM 0 H8 DA B 5 -2.767 -9.457 -1.152 1.00 1.33 H new ATOM 0 H61 DA B 5 1.287 -13.675 -3.167 1.00 0.91 H new ATOM 0 H62 DA B 5 0.102 -12.454 -3.640 1.00 0.91 H new ATOM 0 H2 DA B 5 1.354 -13.668 1.322 1.00 0.93 H new ATOM 1965 P DT B 6 -1.949 -7.506 4.245 1.00 1.92 P ATOM 1966 OP1 DT B 6 -2.108 -6.973 5.613 1.00 2.14 O ATOM 1967 OP2 DT B 6 -1.717 -6.501 3.179 1.00 1.89 O ATOM 1968 O5' DT B 6 -0.781 -8.592 4.215 1.00 1.71 O ATOM 1969 C5' DT B 6 -0.991 -9.861 4.883 1.00 1.72 C ATOM 1970 C4' DT B 6 0.314 -10.353 5.465 1.00 1.68 C ATOM 1971 O4' DT B 6 1.092 -10.987 4.400 1.00 1.45 O ATOM 1972 C3' DT B 6 1.248 -9.287 6.032 1.00 1.76 C ATOM 1973 O3' DT B 6 2.147 -9.820 7.003 1.00 1.86 O ATOM 1974 C2' DT B 6 2.039 -8.846 4.811 1.00 1.55 C ATOM 1975 C1' DT B 6 2.166 -10.146 4.027 1.00 1.36 C ATOM 1976 N1 DT B 6 2.109 -9.963 2.552 1.00 1.16 N ATOM 1977 C2 DT B 6 2.935 -10.760 1.786 1.00 0.98 C ATOM 1978 O2 DT B 6 3.688 -11.585 2.269 1.00 0.99 O ATOM 1979 N3 DT B 6 2.849 -10.559 0.422 1.00 0.85 N ATOM 1980 C4 DT B 6 2.038 -9.655 -0.225 1.00 0.93 C ATOM 1981 O4 DT B 6 2.048 -9.565 -1.458 1.00 0.91 O ATOM 1982 C5 DT B 6 1.214 -8.864 0.657 1.00 1.14 C ATOM 1983 C7 DT B 6 0.306 -7.872 -0.007 1.00 1.31 C ATOM 1984 C6 DT B 6 1.265 -9.037 1.991 1.00 1.23 C ATOM 0 H5' DT B 6 -1.385 -10.593 4.178 1.00 1.72 H new ATOM 0 H5'' DT B 6 -1.733 -9.748 5.673 1.00 1.72 H new ATOM 0 H4' DT B 6 0.005 -11.004 6.283 1.00 1.68 H new ATOM 0 H3' DT B 6 0.699 -8.491 6.535 1.00 1.76 H new ATOM 0 H2' DT B 6 1.516 -8.077 4.243 1.00 1.55 H new ATOM 0 H2'' DT B 6 3.012 -8.436 5.082 1.00 1.55 H new ATOM 0 H1' DT B 6 3.142 -10.569 4.263 1.00 1.36 H new ATOM 0 H3 DT B 6 3.448 -11.140 -0.165 1.00 0.85 H new ATOM 0 H71 DT B 6 0.758 -7.532 -0.939 1.00 1.31 H new ATOM 0 H72 DT B 6 -0.654 -8.343 -0.220 1.00 1.31 H new ATOM 0 H73 DT B 6 0.153 -7.019 0.655 1.00 1.31 H new ATOM 0 H6 DT B 6 0.632 -8.438 2.630 1.00 1.23 H new ATOM 1997 P DA B 7 3.537 -9.088 7.267 1.00 1.87 P ATOM 1998 OP1 DA B 7 3.933 -9.264 8.678 1.00 2.11 O ATOM 1999 OP2 DA B 7 3.452 -7.687 6.787 1.00 1.84 O ATOM 2000 O5' DA B 7 4.518 -9.914 6.319 1.00 1.65 O ATOM 2001 C5' DA B 7 4.457 -11.362 6.345 1.00 1.65 C ATOM 2002 C4' DA B 7 5.837 -11.936 6.117 1.00 1.62 C ATOM 2003 O4' DA B 7 6.117 -11.924 4.681 1.00 1.37 O ATOM 2004 C3' DA B 7 7.002 -11.164 6.734 1.00 1.73 C ATOM 2005 O3' DA B 7 8.142 -11.991 6.948 1.00 1.83 O ATOM 2006 C2' DA B 7 7.327 -10.132 5.667 1.00 1.51 C ATOM 2007 C1' DA B 7 7.048 -10.904 4.383 1.00 1.30 C ATOM 2008 N9 DA B 7 6.473 -10.068 3.293 1.00 1.09 N ATOM 2009 C8 DA B 7 5.571 -9.046 3.396 1.00 1.14 C ATOM 2010 N7 DA B 7 5.258 -8.510 2.253 1.00 0.99 N ATOM 2011 C5 DA B 7 6.016 -9.219 1.337 1.00 0.80 C ATOM 2012 C6 DA B 7 6.136 -9.135 -0.065 1.00 0.64 C ATOM 2013 N6 DA B 7 5.461 -8.241 -0.805 1.00 0.69 N ATOM 2014 N1 DA B 7 6.973 -9.995 -0.666 1.00 0.57 N ATOM 2015 C2 DA B 7 7.637 -10.874 0.080 1.00 0.68 C ATOM 2016 N3 DA B 7 7.608 -11.057 1.381 1.00 0.84 N ATOM 2017 C4 DA B 7 6.762 -10.182 1.955 1.00 0.88 C ATOM 0 H5' DA B 7 3.772 -11.720 5.576 1.00 1.65 H new ATOM 0 H5'' DA B 7 4.066 -11.702 7.304 1.00 1.65 H new ATOM 0 H4' DA B 7 5.792 -12.919 6.587 1.00 1.62 H new ATOM 0 H3' DA B 7 6.745 -10.749 7.709 1.00 1.73 H new ATOM 0 H2' DA B 7 6.700 -9.244 5.754 1.00 1.51 H new ATOM 0 H2'' DA B 7 8.363 -9.798 5.725 1.00 1.51 H new ATOM 0 H1' DA B 7 8.004 -11.288 4.026 1.00 1.30 H new ATOM 0 H8 DA B 7 5.157 -8.715 4.337 1.00 1.14 H new ATOM 0 H61 DA B 7 5.583 -8.221 -1.817 1.00 0.69 H new ATOM 0 H62 DA B 7 4.826 -7.582 -0.355 1.00 0.69 H new ATOM 0 H2 DA B 7 8.297 -11.534 -0.463 1.00 0.68 H new ATOM 2029 P DT B 8 9.592 -11.330 6.999 1.00 1.86 P ATOM 2030 OP1 DT B 8 10.458 -12.095 7.917 1.00 2.10 O ATOM 2031 OP2 DT B 8 9.457 -9.882 7.293 1.00 1.84 O ATOM 2032 O5' DT B 8 10.083 -11.523 5.495 1.00 1.63 O ATOM 2033 C5' DT B 8 9.913 -12.818 4.866 1.00 1.61 C ATOM 2034 C4' DT B 8 11.060 -13.080 3.918 1.00 1.57 C ATOM 2035 O4' DT B 8 10.797 -12.380 2.662 1.00 1.32 O ATOM 2036 C3' DT B 8 12.431 -12.568 4.356 1.00 1.70 C ATOM 2037 O3' DT B 8 13.496 -13.282 3.733 1.00 1.78 O ATOM 2038 C2' DT B 8 12.433 -11.135 3.852 1.00 1.49 C ATOM 2039 C1' DT B 8 11.641 -11.250 2.556 1.00 1.26 C ATOM 2040 N1 DT B 8 10.784 -10.068 2.270 1.00 1.06 N ATOM 2041 C2 DT B 8 10.680 -9.667 0.954 1.00 0.85 C ATOM 2042 O2 DT B 8 11.255 -10.239 0.045 1.00 0.85 O ATOM 2043 N3 DT B 8 9.873 -8.568 0.735 1.00 0.71 N ATOM 2044 C4 DT B 8 9.184 -7.852 1.686 1.00 0.82 C ATOM 2045 O4 DT B 8 8.490 -6.880 1.367 1.00 0.80 O ATOM 2046 C5 DT B 8 9.355 -8.340 3.032 1.00 1.04 C ATOM 2047 C7 DT B 8 8.615 -7.594 4.101 1.00 1.22 C ATOM 2048 C6 DT B 8 10.129 -9.415 3.286 1.00 1.14 C ATOM 0 H5' DT B 8 8.967 -12.848 4.325 1.00 1.61 H new ATOM 0 H5'' DT B 8 9.871 -13.599 5.625 1.00 1.61 H new ATOM 0 H4' DT B 8 11.106 -14.167 3.858 1.00 1.57 H new ATOM 0 H3' DT B 8 12.583 -12.677 5.430 1.00 1.70 H new ATOM 0 H2' DT B 8 11.960 -10.454 4.559 1.00 1.49 H new ATOM 0 H2'' DT B 8 13.444 -10.765 3.680 1.00 1.49 H new ATOM 0 H1' DT B 8 12.364 -11.329 1.744 1.00 1.26 H new ATOM 0 H3 DT B 8 9.778 -8.255 -0.231 1.00 0.71 H new ATOM 0 H71 DT B 8 8.507 -6.550 3.808 1.00 1.22 H new ATOM 0 H72 DT B 8 7.628 -8.037 4.237 1.00 1.22 H new ATOM 0 H73 DT B 8 9.171 -7.652 5.037 1.00 1.22 H new ATOM 0 H6 DT B 8 10.235 -9.767 4.301 1.00 1.14 H new ATOM 2061 P DA B 9 14.915 -12.580 3.561 1.00 1.82 P ATOM 2062 OP1 DA B 9 15.988 -13.592 3.634 1.00 2.06 O ATOM 2063 OP2 DA B 9 15.023 -11.452 4.517 1.00 1.83 O ATOM 2064 O5' DA B 9 14.807 -12.006 2.076 1.00 1.59 O ATOM 2065 C5' DA B 9 14.309 -12.875 1.027 1.00 1.55 C ATOM 2066 C4' DA B 9 15.005 -12.554 -0.276 1.00 1.52 C ATOM 2067 O4' DA B 9 14.364 -11.383 -0.873 1.00 1.27 O ATOM 2068 C3' DA B 9 16.480 -12.168 -0.180 1.00 1.65 C ATOM 2069 O3' DA B 9 17.180 -12.406 -1.397 1.00 1.73 O ATOM 2070 C2' DA B 9 16.421 -10.671 0.079 1.00 1.46 C ATOM 2071 C1' DA B 9 15.205 -10.255 -0.737 1.00 1.23 C ATOM 2072 N9 DA B 9 14.407 -9.166 -0.112 1.00 1.04 N ATOM 2073 C8 DA B 9 14.132 -8.971 1.215 1.00 1.11 C ATOM 2074 N7 DA B 9 13.398 -7.924 1.447 1.00 0.98 N ATOM 2075 C5 DA B 9 13.185 -7.386 0.190 1.00 0.79 C ATOM 2076 C6 DA B 9 12.470 -6.252 -0.250 1.00 0.64 C ATOM 2077 N6 DA B 9 11.821 -5.424 0.587 1.00 0.71 N ATOM 2078 N1 DA B 9 12.451 -6.008 -1.567 1.00 0.57 N ATOM 2079 C2 DA B 9 13.096 -6.833 -2.385 1.00 0.66 C ATOM 2080 N3 DA B 9 13.789 -7.917 -2.104 1.00 0.79 N ATOM 2081 C4 DA B 9 13.789 -8.137 -0.777 1.00 0.84 C ATOM 0 H5' DA B 9 13.232 -12.747 0.916 1.00 1.55 H new ATOM 0 H5'' DA B 9 14.480 -13.918 1.294 1.00 1.55 H new ATOM 0 H4' DA B 9 14.931 -13.481 -0.845 1.00 1.52 H new ATOM 0 H3' DA B 9 17.003 -12.745 0.583 1.00 1.65 H new ATOM 0 H2' DA B 9 16.298 -10.445 1.138 1.00 1.46 H new ATOM 0 H2'' DA B 9 17.327 -10.164 -0.252 1.00 1.46 H new ATOM 0 H1' DA B 9 15.574 -9.879 -1.691 1.00 1.23 H new ATOM 0 H8 DA B 9 14.491 -9.626 1.995 1.00 1.11 H new ATOM 0 H61 DA B 9 11.318 -4.617 0.218 1.00 0.71 H new ATOM 0 H62 DA B 9 11.831 -5.603 1.591 1.00 0.71 H new ATOM 0 H2 DA B 9 13.044 -6.577 -3.433 1.00 0.66 H new ATOM 2093 P DA B 10 18.493 -11.563 -1.723 1.00 1.78 P ATOM 2094 OP1 DA B 10 19.428 -12.384 -2.519 1.00 2.00 O ATOM 2095 OP2 DA B 10 19.036 -10.999 -0.464 1.00 1.80 O ATOM 2096 O5' DA B 10 17.901 -10.384 -2.619 1.00 1.56 O ATOM 2097 C5' DA B 10 16.983 -10.715 -3.690 1.00 1.52 C ATOM 2098 C4' DA B 10 17.183 -9.763 -4.848 1.00 1.50 C ATOM 2099 O4' DA B 10 16.470 -8.518 -4.556 1.00 1.26 O ATOM 2100 C3' DA B 10 18.617 -9.319 -5.123 1.00 1.63 C ATOM 2101 O3' DA B 10 18.801 -8.897 -6.471 1.00 1.72 O ATOM 2102 C2' DA B 10 18.785 -8.125 -4.197 1.00 1.46 C ATOM 2103 C1' DA B 10 17.396 -7.502 -4.225 1.00 1.24 C ATOM 2104 N9 DA B 10 16.977 -6.911 -2.927 1.00 1.07 N ATOM 2105 C8 DA B 10 17.223 -7.378 -1.664 1.00 1.12 C ATOM 2106 N7 DA B 10 16.716 -6.636 -0.725 1.00 1.02 N ATOM 2107 C5 DA B 10 16.107 -5.603 -1.414 1.00 0.85 C ATOM 2108 C6 DA B 10 15.380 -4.472 -0.988 1.00 0.74 C ATOM 2109 N6 DA B 10 15.154 -4.192 0.307 1.00 0.81 N ATOM 2110 N1 DA B 10 14.902 -3.651 -1.933 1.00 0.69 N ATOM 2111 C2 DA B 10 15.133 -3.936 -3.211 1.00 0.76 C ATOM 2112 N3 DA B 10 15.785 -4.952 -3.736 1.00 0.86 N ATOM 2113 C4 DA B 10 16.249 -5.758 -2.763 1.00 0.89 C ATOM 0 H5' DA B 10 15.955 -10.656 -3.332 1.00 1.52 H new ATOM 0 H5'' DA B 10 17.147 -11.741 -4.018 1.00 1.52 H new ATOM 0 H4' DA B 10 16.830 -10.326 -5.712 1.00 1.50 H new ATOM 0 H3' DA B 10 19.332 -10.126 -4.963 1.00 1.63 H new ATOM 0 H2' DA B 10 19.076 -8.427 -3.191 1.00 1.46 H new ATOM 0 H2'' DA B 10 19.549 -7.435 -4.556 1.00 1.46 H new ATOM 0 H1' DA B 10 17.423 -6.692 -4.954 1.00 1.24 H new ATOM 0 H8 DA B 10 17.786 -8.278 -1.466 1.00 1.12 H new ATOM 0 H61 DA B 10 14.622 -3.361 0.564 1.00 0.81 H new ATOM 0 H62 DA B 10 15.515 -4.811 1.033 1.00 0.81 H new ATOM 0 H2 DA B 10 14.727 -3.232 -3.922 1.00 0.76 H new ATOM 2125 P DC B 11 19.974 -7.874 -6.817 1.00 1.78 P ATOM 2126 OP1 DC B 11 20.480 -8.137 -8.179 1.00 2.00 O ATOM 2127 OP2 DC B 11 20.985 -7.904 -5.732 1.00 1.79 O ATOM 2128 O5' DC B 11 19.200 -6.479 -6.781 1.00 1.58 O ATOM 2129 C5' DC B 11 17.930 -6.370 -7.471 1.00 1.55 C ATOM 2130 C4' DC B 11 17.774 -4.976 -8.035 1.00 1.54 C ATOM 2131 O4' DC B 11 17.326 -4.085 -6.965 1.00 1.33 O ATOM 2132 C3' DC B 11 19.043 -4.315 -8.569 1.00 1.68 C ATOM 2133 O3' DC B 11 18.760 -3.303 -9.531 1.00 1.78 O ATOM 2134 C2' DC B 11 19.639 -3.673 -7.328 1.00 1.51 C ATOM 2135 C1' DC B 11 18.393 -3.250 -6.561 1.00 1.31 C ATOM 2136 N1 DC B 11 18.529 -3.370 -5.084 1.00 1.14 N ATOM 2137 C2 DC B 11 17.937 -2.386 -4.295 1.00 1.00 C ATOM 2138 O2 DC B 11 17.333 -1.458 -4.846 1.00 1.03 O ATOM 2139 N3 DC B 11 18.050 -2.477 -2.945 1.00 0.91 N ATOM 2140 C4 DC B 11 18.712 -3.494 -2.380 1.00 0.98 C ATOM 2141 N4 DC B 11 18.788 -3.535 -1.058 1.00 1.00 N ATOM 2142 C5 DC B 11 19.332 -4.512 -3.168 1.00 1.14 C ATOM 2143 C6 DC B 11 19.203 -4.402 -4.519 1.00 1.20 C ATOM 0 H5' DC B 11 17.112 -6.588 -6.784 1.00 1.55 H new ATOM 0 H5'' DC B 11 17.877 -7.105 -8.274 1.00 1.55 H new ATOM 0 H4' DC B 11 17.082 -5.108 -8.867 1.00 1.54 H new ATOM 0 H3' DC B 11 19.694 -5.031 -9.071 1.00 1.68 H new ATOM 0 H2' DC B 11 20.250 -4.374 -6.759 1.00 1.51 H new ATOM 0 H2'' DC B 11 20.275 -2.823 -7.574 1.00 1.51 H new ATOM 0 H1' DC B 11 18.221 -2.197 -6.786 1.00 1.31 H new ATOM 0 H41 DC B 11 19.286 -4.298 -0.599 1.00 1.00 H new ATOM 0 H42 DC B 11 18.349 -2.804 -0.499 1.00 1.00 H new ATOM 0 H5 DC B 11 19.876 -5.328 -2.715 1.00 1.14 H new ATOM 0 H6 DC B 11 19.647 -5.153 -5.155 1.00 1.20 H new ATOM 2155 P DG B 12 19.808 -2.123 -9.758 1.00 1.84 P ATOM 2156 OP1 DG B 12 19.758 -1.676 -11.165 1.00 2.07 O ATOM 2157 OP2 DG B 12 21.138 -2.549 -9.259 1.00 1.85 O ATOM 2158 O5' DG B 12 19.222 -0.988 -8.805 1.00 1.66 O ATOM 2159 C5' DG B 12 17.802 -0.700 -8.852 1.00 1.64 C ATOM 2160 C4' DG B 12 17.572 0.774 -8.608 1.00 1.65 C ATOM 2161 O4' DG B 12 17.623 1.022 -7.167 1.00 1.44 O ATOM 2162 C3' DG B 12 18.612 1.729 -9.190 1.00 1.78 C ATOM 2163 O3' DG B 12 18.085 3.037 -9.396 1.00 1.89 O ATOM 2164 C2' DG B 12 19.672 1.781 -8.104 1.00 1.62 C ATOM 2165 C1' DG B 12 18.833 1.677 -6.836 1.00 1.43 C ATOM 2166 N9 DG B 12 19.485 0.905 -5.745 1.00 1.27 N ATOM 2167 C8 DG B 12 20.270 -0.227 -5.826 1.00 1.29 C ATOM 2168 N7 DG B 12 20.698 -0.664 -4.671 1.00 1.20 N ATOM 2169 C5 DG B 12 20.157 0.235 -3.748 1.00 1.09 C ATOM 2170 C6 DG B 12 20.269 0.275 -2.339 1.00 1.04 C ATOM 2171 O6 DG B 12 20.878 -0.485 -1.587 1.00 1.08 O ATOM 2172 N1 DG B 12 19.562 1.364 -1.799 1.00 1.03 N ATOM 2173 C2 DG B 12 18.848 2.287 -2.534 1.00 1.08 C ATOM 2174 N2 DG B 12 18.245 3.255 -1.836 1.00 1.16 N ATOM 2175 N3 DG B 12 18.736 2.246 -3.859 1.00 1.15 N ATOM 2176 C4 DG B 12 19.411 1.198 -4.401 1.00 1.14 C ATOM 0 H5' DG B 12 17.277 -1.289 -8.100 1.00 1.64 H new ATOM 0 H5'' DG B 12 17.395 -0.986 -9.822 1.00 1.64 H new ATOM 0 H4' DG B 12 16.617 0.972 -9.095 1.00 1.65 H new ATOM 0 H3' DG B 12 18.973 1.395 -10.163 1.00 1.78 H new ATOM 0 H2' DG B 12 20.385 0.961 -8.190 1.00 1.62 H new ATOM 0 H2'' DG B 12 20.246 2.707 -8.138 1.00 1.62 H new ATOM 0 H1' DG B 12 18.684 2.692 -6.467 1.00 1.43 H new ATOM 0 H8 DG B 12 20.510 -0.710 -6.762 1.00 1.29 H new ATOM 0 H1 DG B 12 19.579 1.480 -0.786 1.00 1.03 H new ATOM 0 H21 DG B 12 17.701 3.969 -2.320 1.00 1.16 H new ATOM 0 H22 DG B 12 18.329 3.279 -0.820 1.00 1.16 H new ATOM 2188 P DT B 13 19.076 4.287 -9.411 1.00 1.95 P ATOM 2189 OP1 DT B 13 18.556 5.323 -10.323 1.00 2.17 O ATOM 2190 OP2 DT B 13 20.454 3.814 -9.685 1.00 1.96 O ATOM 2191 O5' DT B 13 18.978 4.788 -7.899 1.00 1.78 O ATOM 2192 C5' DT B 13 17.667 4.924 -7.295 1.00 1.75 C ATOM 2193 C4' DT B 13 17.670 6.087 -6.329 1.00 1.76 C ATOM 2194 O4' DT B 13 18.264 5.645 -5.066 1.00 1.57 O ATOM 2195 C3' DT B 13 18.503 7.301 -6.733 1.00 1.89 C ATOM 2196 O3' DT B 13 18.053 8.497 -6.101 1.00 1.99 O ATOM 2197 C2' DT B 13 19.887 6.952 -6.209 1.00 1.75 C ATOM 2198 C1' DT B 13 19.561 6.192 -4.929 1.00 1.57 C ATOM 2199 N1 DT B 13 20.498 5.072 -4.642 1.00 1.42 N ATOM 2200 C2 DT B 13 20.837 4.857 -3.323 1.00 1.32 C ATOM 2201 O2 DT B 13 20.404 5.538 -2.411 1.00 1.35 O ATOM 2202 N3 DT B 13 21.706 3.806 -3.103 1.00 1.25 N ATOM 2203 C4 DT B 13 22.254 2.979 -4.055 1.00 1.28 C ATOM 2204 O4 DT B 13 23.027 2.069 -3.736 1.00 1.28 O ATOM 2205 C5 DT B 13 21.847 3.282 -5.405 1.00 1.39 C ATOM 2206 C7 DT B 13 22.413 2.401 -6.478 1.00 1.50 C ATOM 2207 C6 DT B 13 20.994 4.295 -5.660 1.00 1.45 C ATOM 0 H5' DT B 13 17.399 4.005 -6.773 1.00 1.75 H new ATOM 0 H5'' DT B 13 16.915 5.082 -8.068 1.00 1.75 H new ATOM 0 H4' DT B 13 16.624 6.391 -6.284 1.00 1.76 H new ATOM 0 H3' DT B 13 18.453 7.490 -7.805 1.00 1.89 H new ATOM 0 H2' DT B 13 20.448 6.340 -6.915 1.00 1.75 H new ATOM 0 H2'' DT B 13 20.485 7.842 -6.014 1.00 1.75 H new ATOM 0 H1' DT B 13 19.642 6.901 -4.105 1.00 1.57 H new ATOM 0 H3 DT B 13 21.968 3.625 -2.134 1.00 1.25 H new ATOM 0 H71 DT B 13 23.395 2.041 -6.172 1.00 1.50 H new ATOM 0 H72 DT B 13 21.749 1.552 -6.640 1.00 1.50 H new ATOM 0 H73 DT B 13 22.507 2.969 -7.403 1.00 1.50 H new ATOM 0 H6 DT B 13 20.697 4.498 -6.678 1.00 1.45 H new ATOM 2220 P DC B 14 19.073 9.704 -5.890 1.00 2.06 P ATOM 2221 OP1 DC B 14 18.347 10.988 -5.959 1.00 2.27 O ATOM 2222 OP2 DC B 14 20.211 9.551 -6.829 1.00 2.07 O ATOM 2223 O5' DC B 14 19.575 9.440 -4.401 1.00 1.90 O ATOM 2224 C5' DC B 14 18.594 9.149 -3.375 1.00 1.87 C ATOM 2225 C4' DC B 14 19.046 9.729 -2.054 1.00 1.89 C ATOM 2226 O4' DC B 14 20.018 8.817 -1.452 1.00 1.72 O ATOM 2227 C3' DC B 14 19.776 11.070 -2.117 1.00 2.02 C ATOM 2228 O3' DC B 14 19.690 11.787 -0.890 1.00 2.12 O ATOM 2229 C2' DC B 14 21.220 10.658 -2.356 1.00 1.90 C ATOM 2230 C1' DC B 14 21.317 9.366 -1.556 1.00 1.74 C ATOM 2231 N1 DC B 14 22.195 8.339 -2.180 1.00 1.60 N ATOM 2232 C2 DC B 14 22.985 7.558 -1.339 1.00 1.52 C ATOM 2233 O2 DC B 14 22.931 7.750 -0.118 1.00 1.56 O ATOM 2234 N3 DC B 14 23.793 6.619 -1.889 1.00 1.45 N ATOM 2235 C4 DC B 14 23.829 6.435 -3.215 1.00 1.46 C ATOM 2236 N4 DC B 14 24.632 5.500 -3.700 1.00 1.45 N ATOM 2237 C5 DC B 14 23.032 7.226 -4.099 1.00 1.55 C ATOM 2238 C6 DC B 14 22.227 8.161 -3.525 1.00 1.62 C ATOM 0 H5' DC B 14 18.460 8.071 -3.282 1.00 1.87 H new ATOM 0 H5'' DC B 14 17.627 9.568 -3.654 1.00 1.87 H new ATOM 0 H4' DC B 14 18.118 9.872 -1.500 1.00 1.89 H new ATOM 0 H3' DC B 14 19.356 11.728 -2.878 1.00 2.02 H new ATOM 0 H2' DC B 14 21.429 10.500 -3.414 1.00 1.90 H new ATOM 0 H2'' DC B 14 21.923 11.411 -2.001 1.00 1.90 H new ATOM 0 H1' DC B 14 21.752 9.621 -0.590 1.00 1.74 H new ATOM 0 H41 DC B 14 24.678 5.339 -4.706 1.00 1.45 H new ATOM 0 H42 DC B 14 25.204 4.941 -3.067 1.00 1.45 H new ATOM 0 H5 DC B 14 23.067 7.089 -5.170 1.00 1.55 H new ATOM 0 H6 DC B 14 21.600 8.775 -4.154 1.00 1.62 H new ATOM 2250 P DG B 15 20.816 12.856 -0.527 1.00 2.21 P ATOM 2251 OP1 DG B 15 20.230 13.948 0.274 1.00 2.40 O ATOM 2252 OP2 DG B 15 21.517 13.268 -1.768 1.00 2.21 O ATOM 2253 O5' DG B 15 21.802 11.986 0.374 1.00 2.07 O ATOM 2254 C5' DG B 15 21.240 11.158 1.424 1.00 2.04 C ATOM 2255 C4' DG B 15 22.190 11.106 2.597 1.00 2.08 C ATOM 2256 O4' DG B 15 23.234 10.121 2.312 1.00 1.93 O ATOM 2257 C3' DG B 15 22.961 12.389 2.905 1.00 2.21 C ATOM 2258 O3' DG B 15 23.389 12.447 4.263 1.00 2.32 O ATOM 2259 C2' DG B 15 24.177 12.280 2.001 1.00 2.10 C ATOM 2260 C1' DG B 15 24.449 10.782 2.012 1.00 1.95 C ATOM 2261 N9 DG B 15 24.947 10.252 0.715 1.00 1.82 N ATOM 2262 C8 DG B 15 24.586 10.607 -0.569 1.00 1.80 C ATOM 2263 N7 DG B 15 25.220 9.945 -1.503 1.00 1.72 N ATOM 2264 C5 DG B 15 26.062 9.085 -0.797 1.00 1.67 C ATOM 2265 C6 DG B 15 26.987 8.124 -1.264 1.00 1.63 C ATOM 2266 O6 DG B 15 27.268 7.819 -2.423 1.00 1.62 O ATOM 2267 N1 DG B 15 27.633 7.472 -0.200 1.00 1.65 N ATOM 2268 C2 DG B 15 27.413 7.728 1.136 1.00 1.72 C ATOM 2269 N2 DG B 15 28.131 7.006 2.002 1.00 1.80 N ATOM 2270 N3 DG B 15 26.536 8.627 1.579 1.00 1.77 N ATOM 2271 C4 DG B 15 25.898 9.268 0.566 1.00 1.73 C ATOM 0 H5' DG B 15 21.057 10.152 1.048 1.00 2.04 H new ATOM 0 H5'' DG B 15 20.278 11.560 1.741 1.00 2.04 H new ATOM 0 H4' DG B 15 21.541 10.885 3.445 1.00 2.08 H new ATOM 0 H3' DG B 15 22.352 13.279 2.745 1.00 2.21 H new ATOM 0 H2' DG B 15 23.972 12.650 0.996 1.00 2.10 H new ATOM 0 H2'' DG B 15 25.023 12.851 2.385 1.00 2.10 H new ATOM 0 HO3' DG B 15 23.879 13.282 4.416 1.00 2.32 H new ATOM 0 H1' DG B 15 25.228 10.604 2.753 1.00 1.95 H new ATOM 0 H8 DG B 15 23.846 11.364 -0.784 1.00 1.80 H new ATOM 0 H1 DG B 15 28.318 6.754 -0.435 1.00 1.65 H new ATOM 0 H21 DG B 15 28.014 7.149 3.005 1.00 1.80 H new ATOM 0 H22 DG B 15 28.796 6.312 1.660 1.00 1.80 H new TER 2284 DG B 15 ATOM 2285 OP3 DC C 16 35.401 3.584 -2.776 1.00 2.40 O ATOM 2286 P DC C 16 34.980 2.102 -2.375 1.00 2.45 P ATOM 2287 OP1 DC C 16 36.214 1.313 -2.130 1.00 2.66 O ATOM 2288 OP2 DC C 16 33.982 1.617 -3.365 1.00 2.37 O ATOM 2289 O5' DC C 16 34.239 2.313 -0.977 1.00 2.36 O ATOM 2290 C5' DC C 16 34.903 2.970 0.132 1.00 2.43 C ATOM 2291 C4' DC C 16 34.068 2.827 1.384 1.00 2.41 C ATOM 2292 O4' DC C 16 33.009 3.837 1.357 1.00 2.24 O ATOM 2293 C3' DC C 16 33.324 1.506 1.556 1.00 2.43 C ATOM 2294 O3' DC C 16 33.024 1.230 2.923 1.00 2.51 O ATOM 2295 C2' DC C 16 32.026 1.745 0.799 1.00 2.22 C ATOM 2296 C1' DC C 16 31.767 3.221 1.074 1.00 2.12 C ATOM 2297 N1 DC C 16 31.151 3.945 -0.073 1.00 1.96 N ATOM 2298 C2 DC C 16 30.194 4.916 0.210 1.00 1.85 C ATOM 2299 O2 DC C 16 29.891 5.132 1.390 1.00 1.89 O ATOM 2300 N3 DC C 16 29.622 5.583 -0.822 1.00 1.75 N ATOM 2301 C4 DC C 16 29.969 5.324 -2.088 1.00 1.76 C ATOM 2302 N4 DC C 16 29.380 6.010 -3.054 1.00 1.72 N ATOM 2303 C5 DC C 16 30.947 4.329 -2.401 1.00 1.88 C ATOM 2304 C6 DC C 16 31.512 3.672 -1.353 1.00 1.97 C ATOM 0 H5' DC C 16 35.055 4.025 -0.096 1.00 2.43 H new ATOM 0 H5'' DC C 16 35.889 2.532 0.289 1.00 2.43 H new ATOM 0 H4' DC C 16 34.794 2.916 2.192 1.00 2.41 H new ATOM 0 H3' DC C 16 33.912 0.660 1.201 1.00 2.43 H new ATOM 0 H2' DC C 16 32.131 1.541 -0.266 1.00 2.22 H new ATOM 0 H2'' DC C 16 31.217 1.113 1.166 1.00 2.22 H new ATOM 0 H1' DC C 16 31.064 3.274 1.906 1.00 2.12 H new ATOM 0 H41 DC C 16 29.626 5.833 -4.028 1.00 1.72 H new ATOM 0 H42 DC C 16 28.680 6.716 -2.825 1.00 1.72 H new ATOM 0 H5 DC C 16 31.224 4.110 -3.422 1.00 1.88 H new ATOM 0 H6 DC C 16 32.262 2.919 -1.543 1.00 1.97 H new ATOM 2317 P DG C 17 31.792 0.283 3.279 1.00 2.47 P ATOM 2318 OP1 DG C 17 32.077 -0.458 4.524 1.00 2.67 O ATOM 2319 OP2 DG C 17 31.454 -0.545 2.095 1.00 2.40 O ATOM 2320 O5' DG C 17 30.633 1.349 3.531 1.00 2.30 O ATOM 2321 C5' DG C 17 30.913 2.498 4.368 1.00 2.35 C ATOM 2322 C4' DG C 17 29.672 2.881 5.140 1.00 2.31 C ATOM 2323 O4' DG C 17 28.801 3.668 4.266 1.00 2.11 O ATOM 2324 C3' DG C 17 28.789 1.732 5.618 1.00 2.34 C ATOM 2325 O3' DG C 17 27.990 2.097 6.741 1.00 2.42 O ATOM 2326 C2' DG C 17 27.884 1.481 4.423 1.00 2.12 C ATOM 2327 C1' DG C 17 27.691 2.887 3.869 1.00 1.99 C ATOM 2328 N9 DG C 17 27.606 2.942 2.385 1.00 1.83 N ATOM 2329 C8 DG C 17 28.299 2.206 1.444 1.00 1.83 C ATOM 2330 N7 DG C 17 27.987 2.496 0.205 1.00 1.71 N ATOM 2331 C5 DG C 17 27.020 3.497 0.326 1.00 1.61 C ATOM 2332 C6 DG C 17 26.313 4.205 -0.670 1.00 1.50 C ATOM 2333 O6 DG C 17 26.387 4.102 -1.894 1.00 1.48 O ATOM 2334 N1 DG C 17 25.422 5.135 -0.106 1.00 1.48 N ATOM 2335 C2 DG C 17 25.241 5.339 1.248 1.00 1.57 C ATOM 2336 N2 DG C 17 24.343 6.266 1.590 1.00 1.60 N ATOM 2337 N3 DG C 17 25.914 4.677 2.187 1.00 1.67 N ATOM 2338 C4 DG C 17 26.784 3.774 1.662 1.00 1.68 C ATOM 0 H5' DG C 17 31.244 3.335 3.754 1.00 2.35 H new ATOM 0 H5'' DG C 17 31.725 2.268 5.058 1.00 2.35 H new ATOM 0 H4' DG C 17 30.061 3.398 6.017 1.00 2.31 H new ATOM 0 H3' DG C 17 29.378 0.871 5.936 1.00 2.34 H new ATOM 0 H2' DG C 17 28.346 0.815 3.694 1.00 2.12 H new ATOM 0 H2'' DG C 17 26.938 1.025 4.716 1.00 2.12 H new ATOM 0 H1' DG C 17 26.743 3.257 4.261 1.00 1.99 H new ATOM 0 H8 DG C 17 29.033 1.458 1.706 1.00 1.83 H new ATOM 0 H1 DG C 17 24.867 5.703 -0.746 1.00 1.48 H new ATOM 0 H21 DG C 17 24.164 6.463 2.574 1.00 1.60 H new ATOM 0 H22 DG C 17 23.837 6.777 0.867 1.00 1.60 H new ATOM 2350 P DA C 18 26.625 1.319 7.016 1.00 2.38 P ATOM 2351 OP1 DA C 18 26.365 1.268 8.469 1.00 2.59 O ATOM 2352 OP2 DA C 18 26.657 0.013 6.317 1.00 2.33 O ATOM 2353 O5' DA C 18 25.566 2.276 6.306 1.00 2.18 O ATOM 2354 C5' DA C 18 25.637 3.704 6.555 1.00 2.21 C ATOM 2355 C4' DA C 18 24.246 4.292 6.552 1.00 2.15 C ATOM 2356 O4' DA C 18 23.832 4.505 5.165 1.00 1.93 O ATOM 2357 C3' DA C 18 23.139 3.424 7.145 1.00 2.19 C ATOM 2358 O3' DA C 18 22.029 4.197 7.595 1.00 2.25 O ATOM 2359 C2' DA C 18 22.709 2.570 5.964 1.00 1.97 C ATOM 2360 C1' DA C 18 22.868 3.537 4.798 1.00 1.82 C ATOM 2361 N9 DA C 18 23.332 2.888 3.541 1.00 1.66 N ATOM 2362 C8 DA C 18 24.236 1.870 3.396 1.00 1.69 C ATOM 2363 N7 DA C 18 24.436 1.524 2.160 1.00 1.57 N ATOM 2364 C5 DA C 18 23.598 2.361 1.444 1.00 1.44 C ATOM 2365 C6 DA C 18 23.346 2.498 0.062 1.00 1.32 C ATOM 2366 N6 DA C 18 23.942 1.739 -0.872 1.00 1.32 N ATOM 2367 N1 DA C 18 22.462 3.434 -0.314 1.00 1.27 N ATOM 2368 C2 DA C 18 21.877 4.179 0.619 1.00 1.35 C ATOM 2369 N3 DA C 18 22.029 4.155 1.925 1.00 1.46 N ATOM 2370 C4 DA C 18 22.922 3.208 2.271 1.00 1.49 C ATOM 0 H5' DA C 18 26.247 4.186 5.791 1.00 2.21 H new ATOM 0 H5'' DA C 18 26.119 3.892 7.514 1.00 2.21 H new ATOM 0 H4' DA C 18 24.342 5.187 7.166 1.00 2.15 H new ATOM 0 H3' DA C 18 23.483 2.863 8.014 1.00 2.19 H new ATOM 0 H2' DA C 18 23.337 1.686 5.850 1.00 1.97 H new ATOM 0 H2'' DA C 18 21.682 2.220 6.066 1.00 1.97 H new ATOM 0 H1' DA C 18 21.885 3.964 4.598 1.00 1.82 H new ATOM 0 H8 DA C 18 24.735 1.399 4.230 1.00 1.69 H new ATOM 0 H61 DA C 18 23.724 1.879 -1.858 1.00 1.32 H new ATOM 0 H62 DA C 18 24.613 1.022 -0.595 1.00 1.32 H new ATOM 0 H2 DA C 18 21.174 4.911 0.250 1.00 1.35 H new ATOM 2382 P DC C 19 20.588 3.521 7.678 1.00 2.21 P ATOM 2383 OP1 DC C 19 19.816 4.126 8.783 1.00 2.41 O ATOM 2384 OP2 DC C 19 20.739 2.048 7.724 1.00 2.18 O ATOM 2385 O5' DC C 19 19.957 3.945 6.275 1.00 2.00 O ATOM 2386 C5' DC C 19 20.076 5.324 5.846 1.00 2.01 C ATOM 2387 C4' DC C 19 18.845 5.723 5.064 1.00 1.95 C ATOM 2388 O4' DC C 19 18.984 5.232 3.692 1.00 1.73 O ATOM 2389 C3' DC C 19 17.518 5.137 5.542 1.00 1.99 C ATOM 2390 O3' DC C 19 16.403 5.931 5.142 1.00 2.05 O ATOM 2391 C2' DC C 19 17.459 3.799 4.821 1.00 1.78 C ATOM 2392 C1' DC C 19 18.127 4.124 3.491 1.00 1.62 C ATOM 2393 N1 DC C 19 18.946 3.010 2.943 1.00 1.46 N ATOM 2394 C2 DC C 19 18.933 2.810 1.565 1.00 1.30 C ATOM 2395 O2 DC C 19 18.243 3.556 0.858 1.00 1.30 O ATOM 2396 N3 DC C 19 19.672 1.799 1.044 1.00 1.20 N ATOM 2397 C4 DC C 19 20.406 1.009 1.838 1.00 1.28 C ATOM 2398 N4 DC C 19 21.113 0.039 1.277 1.00 1.26 N ATOM 2399 C5 DC C 19 20.434 1.192 3.255 1.00 1.46 C ATOM 2400 C6 DC C 19 19.687 2.214 3.754 1.00 1.54 C ATOM 0 H5' DC C 19 20.966 5.447 5.229 1.00 2.01 H new ATOM 0 H5'' DC C 19 20.195 5.975 6.712 1.00 2.01 H new ATOM 0 H4' DC C 19 18.801 6.806 5.182 1.00 1.95 H new ATOM 0 H3' DC C 19 17.469 5.075 6.629 1.00 1.99 H new ATOM 0 H2' DC C 19 17.992 3.019 5.365 1.00 1.78 H new ATOM 0 H2'' DC C 19 16.434 3.452 4.689 1.00 1.78 H new ATOM 0 H1' DC C 19 17.331 4.323 2.774 1.00 1.62 H new ATOM 0 H41 DC C 19 21.682 -0.578 1.857 1.00 1.26 H new ATOM 0 H42 DC C 19 21.089 -0.090 0.266 1.00 1.26 H new ATOM 0 H5 DC C 19 21.019 0.551 3.898 1.00 1.46 H new ATOM 0 H6 DC C 19 19.684 2.395 4.819 1.00 1.54 H new ATOM 2412 P DG C 20 14.969 5.251 4.995 1.00 2.03 P ATOM 2413 OP1 DG C 20 13.916 6.229 5.329 1.00 2.23 O ATOM 2414 OP2 DG C 20 14.948 3.985 5.769 1.00 2.01 O ATOM 2415 O5' DG C 20 14.934 4.921 3.437 1.00 1.81 O ATOM 2416 C5' DG C 20 15.336 5.948 2.495 1.00 1.82 C ATOM 2417 C4' DG C 20 14.518 5.830 1.231 1.00 1.77 C ATOM 2418 O4' DG C 20 15.093 4.774 0.398 1.00 1.54 O ATOM 2419 C3' DG C 20 13.057 5.421 1.403 1.00 1.83 C ATOM 2420 O3' DG C 20 12.246 5.840 0.308 1.00 1.90 O ATOM 2421 C2' DG C 20 13.130 3.902 1.417 1.00 1.62 C ATOM 2422 C1' DG C 20 14.261 3.630 0.433 1.00 1.45 C ATOM 2423 N9 DG C 20 15.109 2.464 0.800 1.00 1.28 N ATOM 2424 C8 DG C 20 15.522 2.045 2.048 1.00 1.33 C ATOM 2425 N7 DG C 20 16.266 0.967 2.031 1.00 1.22 N ATOM 2426 C5 DG C 20 16.360 0.645 0.674 1.00 1.05 C ATOM 2427 C6 DG C 20 17.038 -0.417 0.035 1.00 0.94 C ATOM 2428 O6 DG C 20 17.713 -1.317 0.532 1.00 0.97 O ATOM 2429 N1 DG C 20 16.868 -0.368 -1.360 1.00 0.87 N ATOM 2430 C2 DG C 20 16.131 0.583 -2.036 1.00 0.95 C ATOM 2431 N2 DG C 20 16.083 0.457 -3.366 1.00 0.99 N ATOM 2432 N3 DG C 20 15.499 1.587 -1.435 1.00 1.07 N ATOM 2433 C4 DG C 20 15.652 1.561 -0.085 1.00 1.10 C ATOM 0 H5' DG C 20 16.396 5.847 2.264 1.00 1.82 H new ATOM 0 H5'' DG C 20 15.198 6.935 2.938 1.00 1.82 H new ATOM 0 H4' DG C 20 14.542 6.836 0.812 1.00 1.77 H new ATOM 0 H3' DG C 20 12.612 5.867 2.292 1.00 1.83 H new ATOM 0 H2' DG C 20 13.352 3.513 2.411 1.00 1.62 H new ATOM 0 H2'' DG C 20 12.193 3.446 1.098 1.00 1.62 H new ATOM 0 H1' DG C 20 13.800 3.405 -0.529 1.00 1.45 H new ATOM 0 H8 DG C 20 15.255 2.560 2.959 1.00 1.33 H new ATOM 0 H1 DG C 20 17.325 -1.091 -1.915 1.00 0.87 H new ATOM 0 H21 DG C 20 15.555 1.128 -3.923 1.00 0.99 H new ATOM 0 H22 DG C 20 16.575 -0.310 -3.824 1.00 0.99 H new ATOM 2445 P DT C 21 10.902 5.049 -0.021 1.00 1.90 P ATOM 2446 OP1 DT C 21 9.902 5.977 -0.587 1.00 2.12 O ATOM 2447 OP2 DT C 21 10.477 4.289 1.181 1.00 1.88 O ATOM 2448 O5' DT C 21 11.400 4.031 -1.143 1.00 1.69 O ATOM 2449 C5' DT C 21 12.215 4.536 -2.231 1.00 1.70 C ATOM 2450 C4' DT C 21 11.902 3.776 -3.499 1.00 1.66 C ATOM 2451 O4' DT C 21 12.632 2.508 -3.476 1.00 1.42 O ATOM 2452 C3' DT C 21 10.444 3.369 -3.703 1.00 1.74 C ATOM 2453 O3' DT C 21 10.131 3.161 -5.078 1.00 1.83 O ATOM 2454 C2' DT C 21 10.356 2.042 -2.965 1.00 1.53 C ATOM 2455 C1' DT C 21 11.733 1.443 -3.223 1.00 1.33 C ATOM 2456 N1 DT C 21 12.270 0.657 -2.079 1.00 1.14 N ATOM 2457 C2 DT C 21 12.982 -0.485 -2.376 1.00 0.96 C ATOM 2458 O2 DT C 21 13.178 -0.860 -3.518 1.00 0.97 O ATOM 2459 N3 DT C 21 13.461 -1.180 -1.284 1.00 0.84 N ATOM 2460 C4 DT C 21 13.295 -0.848 0.039 1.00 0.94 C ATOM 2461 O4 DT C 21 13.773 -1.555 0.936 1.00 0.94 O ATOM 2462 C5 DT C 21 12.535 0.360 0.255 1.00 1.13 C ATOM 2463 C7 DT C 21 12.335 0.766 1.684 1.00 1.30 C ATOM 2464 C6 DT C 21 12.055 1.069 -0.787 1.00 1.22 C ATOM 0 H5' DT C 21 13.272 4.432 -1.985 1.00 1.70 H new ATOM 0 H5'' DT C 21 12.025 5.599 -2.377 1.00 1.70 H new ATOM 0 H4' DT C 21 12.176 4.470 -4.294 1.00 1.66 H new ATOM 0 H3' DT C 21 9.754 4.135 -3.350 1.00 1.74 H new ATOM 0 H2' DT C 21 10.164 2.179 -1.901 1.00 1.53 H new ATOM 0 H2'' DT C 21 9.557 1.411 -3.355 1.00 1.53 H new ATOM 0 H1' DT C 21 11.631 0.759 -4.065 1.00 1.33 H new ATOM 0 H3 DT C 21 13.993 -2.028 -1.479 1.00 0.84 H new ATOM 0 H71 DT C 21 12.317 -0.122 2.315 1.00 1.30 H new ATOM 0 H72 DT C 21 13.153 1.416 1.995 1.00 1.30 H new ATOM 0 H73 DT C 21 11.390 1.300 1.782 1.00 1.30 H new ATOM 0 H6 DT C 21 11.494 1.973 -0.603 1.00 1.22 H new ATOM 2477 P DT C 22 8.924 2.194 -5.470 1.00 1.85 P ATOM 2478 OP1 DT C 22 8.294 2.663 -6.718 1.00 2.09 O ATOM 2479 OP2 DT C 22 8.021 2.044 -4.303 1.00 1.83 O ATOM 2480 O5' DT C 22 9.690 0.820 -5.727 1.00 1.63 O ATOM 2481 C5' DT C 22 10.889 0.830 -6.542 1.00 1.63 C ATOM 2482 C4' DT C 22 10.981 -0.455 -7.331 1.00 1.59 C ATOM 2483 O4' DT C 22 11.523 -1.500 -6.463 1.00 1.34 O ATOM 2484 C3' DT C 22 9.663 -1.034 -7.841 1.00 1.69 C ATOM 2485 O3' DT C 22 9.849 -1.880 -8.973 1.00 1.79 O ATOM 2486 C2' DT C 22 9.183 -1.870 -6.666 1.00 1.48 C ATOM 2487 C1' DT C 22 10.494 -2.399 -6.095 1.00 1.26 C ATOM 2488 N1 DT C 22 10.500 -2.513 -4.613 1.00 1.06 N ATOM 2489 C2 DT C 22 11.152 -3.598 -4.066 1.00 0.86 C ATOM 2490 O2 DT C 22 11.711 -4.442 -4.746 1.00 0.87 O ATOM 2491 N3 DT C 22 11.134 -3.665 -2.688 1.00 0.72 N ATOM 2492 C4 DT C 22 10.534 -2.772 -1.829 1.00 0.82 C ATOM 2493 O4 DT C 22 10.584 -2.938 -0.607 1.00 0.82 O ATOM 2494 C5 DT C 22 9.871 -1.672 -2.491 1.00 1.04 C ATOM 2495 C7 DT C 22 9.211 -0.669 -1.594 1.00 1.21 C ATOM 2496 C6 DT C 22 9.875 -1.571 -3.835 1.00 1.13 C ATOM 0 H5' DT C 22 11.769 0.943 -5.909 1.00 1.63 H new ATOM 0 H5'' DT C 22 10.872 1.683 -7.220 1.00 1.63 H new ATOM 0 H4' DT C 22 11.591 -0.187 -8.193 1.00 1.59 H new ATOM 0 H3' DT C 22 8.972 -0.254 -8.160 1.00 1.69 H new ATOM 0 H2' DT C 22 8.633 -1.273 -5.939 1.00 1.48 H new ATOM 0 H2'' DT C 22 8.521 -2.676 -6.983 1.00 1.48 H new ATOM 0 H1' DT C 22 10.637 -3.402 -6.497 1.00 1.26 H new ATOM 0 H3 DT C 22 11.615 -4.457 -2.262 1.00 0.72 H new ATOM 0 H71 DT C 22 8.879 -1.161 -0.680 1.00 1.21 H new ATOM 0 H72 DT C 22 9.922 0.119 -1.344 1.00 1.21 H new ATOM 0 H73 DT C 22 8.352 -0.234 -2.105 1.00 1.21 H new ATOM 0 H6 DT C 22 9.379 -0.736 -4.307 1.00 1.13 H new ATOM 2509 P DA C 23 8.776 -3.019 -9.284 1.00 1.82 P ATOM 2510 OP1 DA C 23 8.690 -3.238 -10.741 1.00 2.06 O ATOM 2511 OP2 DA C 23 7.502 -2.688 -8.601 1.00 1.81 O ATOM 2512 O5' DA C 23 9.441 -4.285 -8.578 1.00 1.58 O ATOM 2513 C5' DA C 23 10.848 -4.549 -8.808 1.00 1.56 C ATOM 2514 C4' DA C 23 11.093 -6.040 -8.820 1.00 1.53 C ATOM 2515 O4' DA C 23 11.177 -6.513 -7.436 1.00 1.27 O ATOM 2516 C3' DA C 23 9.997 -6.901 -9.446 1.00 1.64 C ATOM 2517 O3' DA C 23 10.494 -8.156 -9.904 1.00 1.73 O ATOM 2518 C2' DA C 23 9.044 -7.134 -8.283 1.00 1.44 C ATOM 2519 C1' DA C 23 10.000 -7.223 -7.102 1.00 1.21 C ATOM 2520 N9 DA C 23 9.458 -6.638 -5.846 1.00 1.01 N ATOM 2521 C8 DA C 23 8.681 -5.520 -5.700 1.00 1.06 C ATOM 2522 N7 DA C 23 8.370 -5.262 -4.463 1.00 0.92 N ATOM 2523 C5 DA C 23 8.972 -6.283 -3.751 1.00 0.72 C ATOM 2524 C6 DA C 23 9.020 -6.582 -2.373 1.00 0.57 C ATOM 2525 N6 DA C 23 8.408 -5.833 -1.439 1.00 0.64 N ATOM 2526 N1 DA C 23 9.715 -7.665 -1.999 1.00 0.51 N ATOM 2527 C2 DA C 23 10.316 -8.398 -2.932 1.00 0.61 C ATOM 2528 N3 DA C 23 10.352 -8.226 -4.235 1.00 0.75 N ATOM 2529 C4 DA C 23 9.650 -7.131 -4.579 1.00 0.79 C ATOM 0 H5' DA C 23 11.448 -4.079 -8.029 1.00 1.56 H new ATOM 0 H5'' DA C 23 11.159 -4.112 -9.757 1.00 1.56 H new ATOM 0 H4' DA C 23 11.998 -6.150 -9.418 1.00 1.53 H new ATOM 0 H3' DA C 23 9.548 -6.421 -10.316 1.00 1.64 H new ATOM 0 H2' DA C 23 8.331 -6.317 -8.170 1.00 1.44 H new ATOM 0 H2'' DA C 23 8.464 -8.048 -8.408 1.00 1.44 H new ATOM 0 H1' DA C 23 10.178 -8.282 -6.916 1.00 1.21 H new ATOM 0 H8 DA C 23 8.357 -4.911 -6.531 1.00 1.06 H new ATOM 0 H61 DA C 23 8.473 -6.092 -0.455 1.00 0.64 H new ATOM 0 H62 DA C 23 7.879 -5.006 -1.715 1.00 0.64 H new ATOM 0 H2 DA C 23 10.853 -9.261 -2.566 1.00 0.61 H new ATOM 2541 P DT C 24 9.498 -9.397 -10.022 1.00 1.76 P ATOM 2542 OP1 DT C 24 9.923 -10.273 -11.131 1.00 2.00 O ATOM 2543 OP2 DT C 24 8.104 -8.899 -10.085 1.00 1.77 O ATOM 2544 O5' DT C 24 9.735 -10.128 -8.625 1.00 1.53 O ATOM 2545 C5' DT C 24 11.095 -10.346 -8.173 1.00 1.51 C ATOM 2546 C4' DT C 24 11.177 -11.648 -7.408 1.00 1.48 C ATOM 2547 O4' DT C 24 10.709 -11.415 -6.041 1.00 1.23 O ATOM 2548 C3' DT C 24 10.303 -12.790 -7.919 1.00 1.60 C ATOM 2549 O3' DT C 24 10.803 -14.066 -7.528 1.00 1.69 O ATOM 2550 C2' DT C 24 8.976 -12.540 -7.217 1.00 1.40 C ATOM 2551 C1' DT C 24 9.427 -11.988 -5.872 1.00 1.18 C ATOM 2552 N1 DT C 24 8.529 -10.937 -5.324 1.00 0.99 N ATOM 2553 C2 DT C 24 8.316 -10.935 -3.961 1.00 0.79 C ATOM 2554 O2 DT C 24 8.830 -11.747 -3.212 1.00 0.82 O ATOM 2555 N3 DT C 24 7.479 -9.940 -3.497 1.00 0.67 N ATOM 2556 C4 DT C 24 6.848 -8.978 -4.251 1.00 0.77 C ATOM 2557 O4 DT C 24 6.114 -8.135 -3.720 1.00 0.78 O ATOM 2558 C5 DT C 24 7.124 -9.061 -5.665 1.00 0.99 C ATOM 2559 C7 DT C 24 6.464 -8.025 -6.526 1.00 1.18 C ATOM 2560 C6 DT C 24 7.943 -10.014 -6.154 1.00 1.07 C ATOM 0 H5' DT C 24 11.414 -9.520 -7.538 1.00 1.51 H new ATOM 0 H5'' DT C 24 11.772 -10.372 -9.027 1.00 1.51 H new ATOM 0 H4' DT C 24 12.220 -11.947 -7.511 1.00 1.48 H new ATOM 0 H3' DT C 24 10.251 -12.807 -9.008 1.00 1.60 H new ATOM 0 H2' DT C 24 8.354 -11.829 -7.762 1.00 1.40 H new ATOM 0 H2'' DT C 24 8.394 -13.455 -7.108 1.00 1.40 H new ATOM 0 H1' DT C 24 9.420 -12.820 -5.168 1.00 1.18 H new ATOM 0 H3 DT C 24 7.311 -9.916 -2.491 1.00 0.67 H new ATOM 0 H71 DT C 24 5.518 -7.726 -6.075 1.00 1.18 H new ATOM 0 H72 DT C 24 7.115 -7.155 -6.613 1.00 1.18 H new ATOM 0 H73 DT C 24 6.279 -8.440 -7.517 1.00 1.18 H new ATOM 0 H6 DT C 24 8.141 -10.052 -7.215 1.00 1.07 H new ATOM 2573 P DA C 25 9.800 -15.301 -7.416 1.00 1.73 P ATOM 2574 OP1 DA C 25 10.508 -16.552 -7.755 1.00 1.96 O ATOM 2575 OP2 DA C 25 8.581 -15.013 -8.206 1.00 1.74 O ATOM 2576 O5' DA C 25 9.443 -15.278 -5.862 1.00 1.52 O ATOM 2577 C5' DA C 25 10.520 -15.144 -4.901 1.00 1.50 C ATOM 2578 C4' DA C 25 10.189 -15.930 -3.650 1.00 1.49 C ATOM 2579 O4' DA C 25 9.284 -15.132 -2.823 1.00 1.26 O ATOM 2580 C3' DA C 25 9.449 -17.250 -3.855 1.00 1.62 C ATOM 2581 O3' DA C 25 9.645 -18.151 -2.769 1.00 1.72 O ATOM 2582 C2' DA C 25 7.991 -16.818 -3.889 1.00 1.43 C ATOM 2583 C1' DA C 25 7.977 -15.669 -2.890 1.00 1.22 C ATOM 2584 N9 DA C 25 7.051 -14.565 -3.259 1.00 1.02 N ATOM 2585 C8 DA C 25 6.779 -14.066 -4.505 1.00 1.06 C ATOM 2586 N7 DA C 25 5.923 -13.089 -4.499 1.00 0.94 N ATOM 2587 C5 DA C 25 5.597 -12.942 -3.163 1.00 0.78 C ATOM 2588 C6 DA C 25 4.729 -12.060 -2.487 1.00 0.68 C ATOM 2589 N6 DA C 25 3.993 -11.129 -3.117 1.00 0.74 N ATOM 2590 N1 DA C 25 4.647 -12.174 -1.154 1.00 0.65 N ATOM 2591 C2 DA C 25 5.379 -13.100 -0.541 1.00 0.74 C ATOM 2592 N3 DA C 25 6.223 -13.971 -1.051 1.00 0.84 N ATOM 2593 C4 DA C 25 6.284 -13.831 -2.388 1.00 0.85 C ATOM 0 H5' DA C 25 10.670 -14.093 -4.653 1.00 1.50 H new ATOM 0 H5'' DA C 25 11.453 -15.506 -5.333 1.00 1.50 H new ATOM 0 H4' DA C 25 11.164 -16.151 -3.215 1.00 1.49 H new ATOM 0 H3' DA C 25 9.792 -17.776 -4.746 1.00 1.62 H new ATOM 0 H2' DA C 25 7.684 -16.497 -4.884 1.00 1.43 H new ATOM 0 H2'' DA C 25 7.320 -17.624 -3.593 1.00 1.43 H new ATOM 0 H1' DA C 25 7.632 -16.076 -1.940 1.00 1.22 H new ATOM 0 H8 DA C 25 7.233 -14.449 -5.407 1.00 1.06 H new ATOM 0 H61 DA C 25 3.380 -10.515 -2.581 1.00 0.74 H new ATOM 0 H62 DA C 25 4.047 -11.036 -4.131 1.00 0.74 H new ATOM 0 H2 DA C 25 5.264 -13.143 0.532 1.00 0.74 H new ATOM 2605 P DT C 26 8.552 -19.274 -2.475 1.00 1.77 P ATOM 2606 OP1 DT C 26 9.205 -20.473 -1.916 1.00 2.01 O ATOM 2607 OP2 DT C 26 7.734 -19.490 -3.694 1.00 1.77 O ATOM 2608 O5' DT C 26 7.660 -18.565 -1.360 1.00 1.58 O ATOM 2609 C5' DT C 26 8.325 -17.908 -0.250 1.00 1.57 C ATOM 2610 C4' DT C 26 7.490 -18.050 1.001 1.00 1.58 C ATOM 2611 O4' DT C 26 6.430 -17.041 0.973 1.00 1.35 O ATOM 2612 C3' DT C 26 6.746 -19.372 1.173 1.00 1.70 C ATOM 2613 O3' DT C 26 6.445 -19.647 2.539 1.00 1.82 O ATOM 2614 C2' DT C 26 5.450 -19.133 0.415 1.00 1.52 C ATOM 2615 C1' DT C 26 5.188 -17.657 0.690 1.00 1.32 C ATOM 2616 N1 DT C 26 4.574 -16.934 -0.456 1.00 1.13 N ATOM 2617 C2 DT C 26 3.626 -15.976 -0.161 1.00 0.98 C ATOM 2618 O2 DT C 26 3.288 -15.712 0.979 1.00 1.02 O ATOM 2619 N3 DT C 26 3.084 -15.330 -1.254 1.00 0.87 N ATOM 2620 C4 DT C 26 3.392 -15.553 -2.577 1.00 0.92 C ATOM 2621 O4 DT C 26 2.835 -14.908 -3.473 1.00 0.93 O ATOM 2622 C5 DT C 26 4.388 -16.575 -2.787 1.00 1.08 C ATOM 2623 C7 DT C 26 4.761 -16.844 -4.215 1.00 1.23 C ATOM 2624 C6 DT C 26 4.945 -17.221 -1.746 1.00 1.17 C ATOM 0 H5' DT C 26 8.478 -16.853 -0.478 1.00 1.57 H new ATOM 0 H5'' DT C 26 9.310 -18.347 -0.093 1.00 1.57 H new ATOM 0 H4' DT C 26 8.215 -17.959 1.810 1.00 1.58 H new ATOM 0 H3' DT C 26 7.334 -20.219 0.819 1.00 1.70 H new ATOM 0 H2' DT C 26 5.557 -19.336 -0.650 1.00 1.52 H new ATOM 0 H2'' DT C 26 4.641 -19.766 0.780 1.00 1.52 H new ATOM 0 H1' DT C 26 4.484 -17.605 1.520 1.00 1.32 H new ATOM 0 H3 DT C 26 2.383 -14.614 -1.062 1.00 0.87 H new ATOM 0 H71 DT C 26 3.905 -16.640 -4.859 1.00 1.23 H new ATOM 0 H72 DT C 26 5.592 -16.200 -4.501 1.00 1.23 H new ATOM 0 H73 DT C 26 5.057 -17.888 -4.323 1.00 1.23 H new ATOM 0 H6 DT C 26 5.695 -17.976 -1.928 1.00 1.17 H new ATOM 2637 P DT C 27 5.215 -20.596 2.896 1.00 1.88 P ATOM 2638 OP1 DT C 27 5.498 -21.337 4.140 1.00 2.12 O ATOM 2639 OP2 DT C 27 4.876 -21.422 1.712 1.00 1.87 O ATOM 2640 O5' DT C 27 4.055 -19.528 3.148 1.00 1.69 O ATOM 2641 C5' DT C 27 4.336 -18.378 3.984 1.00 1.68 C ATOM 2642 C4' DT C 27 3.094 -17.996 4.757 1.00 1.69 C ATOM 2643 O4' DT C 27 2.223 -17.211 3.884 1.00 1.47 O ATOM 2644 C3' DT C 27 2.211 -19.146 5.235 1.00 1.82 C ATOM 2645 O3' DT C 27 1.412 -18.781 6.357 1.00 1.93 O ATOM 2646 C2' DT C 27 1.306 -19.397 4.039 1.00 1.65 C ATOM 2647 C1' DT C 27 1.114 -17.992 3.485 1.00 1.45 C ATOM 2648 N1 DT C 27 1.028 -17.938 2.001 1.00 1.27 N ATOM 2649 C2 DT C 27 0.139 -17.039 1.451 1.00 1.14 C ATOM 2650 O2 DT C 27 -0.561 -16.307 2.131 1.00 1.18 O ATOM 2651 N3 DT C 27 0.095 -17.022 0.072 1.00 1.03 N ATOM 2652 C4 DT C 27 0.836 -17.805 -0.784 1.00 1.07 C ATOM 2653 O4 DT C 27 0.708 -17.700 -2.009 1.00 1.06 O ATOM 2654 C5 DT C 27 1.735 -18.718 -0.120 1.00 1.21 C ATOM 2655 C7 DT C 27 2.569 -19.585 -1.013 1.00 1.33 C ATOM 2656 C6 DT C 27 1.812 -18.757 1.226 1.00 1.30 C ATOM 0 H5' DT C 27 4.665 -17.541 3.369 1.00 1.68 H new ATOM 0 H5'' DT C 27 5.149 -18.607 4.673 1.00 1.68 H new ATOM 0 H4' DT C 27 3.483 -17.479 5.634 1.00 1.69 H new ATOM 0 H3' DT C 27 2.800 -20.007 5.553 1.00 1.82 H new ATOM 0 H2' DT C 27 1.768 -20.063 3.310 1.00 1.65 H new ATOM 0 H2'' DT C 27 0.360 -19.853 4.332 1.00 1.65 H new ATOM 0 H1' DT C 27 0.167 -17.621 3.876 1.00 1.45 H new ATOM 0 H3 DT C 27 -0.553 -16.362 -0.357 1.00 1.03 H new ATOM 0 H71 DT C 27 2.029 -19.779 -1.940 1.00 1.33 H new ATOM 0 H72 DT C 27 3.507 -19.078 -1.239 1.00 1.33 H new ATOM 0 H73 DT C 27 2.779 -20.529 -0.511 1.00 1.33 H new ATOM 0 H6 DT C 27 2.499 -19.441 1.701 1.00 1.30 H new ATOM 2669 P DG C 28 0.047 -19.558 6.633 1.00 1.99 P ATOM 2670 OP1 DG C 28 -0.213 -19.609 8.086 1.00 2.23 O ATOM 2671 OP2 DG C 28 0.079 -20.865 5.932 1.00 1.99 O ATOM 2672 O5' DG C 28 -1.013 -18.602 5.923 1.00 1.81 O ATOM 2673 C5' DG C 28 -0.941 -17.176 6.172 1.00 1.79 C ATOM 2674 C4' DG C 28 -2.333 -16.586 6.168 1.00 1.80 C ATOM 2675 O4' DG C 28 -2.746 -16.372 4.781 1.00 1.60 O ATOM 2676 C3' DG C 28 -3.439 -17.455 6.763 1.00 1.93 C ATOM 2677 O3' DG C 28 -4.548 -16.681 7.211 1.00 2.04 O ATOM 2678 C2' DG C 28 -3.870 -18.309 5.581 1.00 1.78 C ATOM 2679 C1' DG C 28 -3.710 -17.342 4.416 1.00 1.59 C ATOM 2680 N9 DG C 28 -3.246 -17.991 3.159 1.00 1.43 N ATOM 2681 C8 DG C 28 -2.338 -19.013 2.988 1.00 1.44 C ATOM 2682 N7 DG C 28 -2.150 -19.358 1.740 1.00 1.33 N ATOM 2683 C5 DG C 28 -2.990 -18.503 1.023 1.00 1.24 C ATOM 2684 C6 DG C 28 -3.215 -18.401 -0.367 1.00 1.17 C ATOM 2685 O6 DG C 28 -2.716 -19.053 -1.285 1.00 1.18 O ATOM 2686 N1 DG C 28 -4.154 -17.396 -0.665 1.00 1.19 N ATOM 2687 C2 DG C 28 -4.788 -16.605 0.272 1.00 1.27 C ATOM 2688 N2 DG C 28 -5.652 -15.706 -0.207 1.00 1.35 N ATOM 2689 N3 DG C 28 -4.570 -16.696 1.580 1.00 1.33 N ATOM 2690 C4 DG C 28 -3.663 -17.660 1.889 1.00 1.31 C ATOM 0 H5' DG C 28 -0.330 -16.694 5.409 1.00 1.79 H new ATOM 0 H5'' DG C 28 -0.459 -16.989 7.132 1.00 1.79 H new ATOM 0 H4' DG C 28 -2.238 -15.690 6.781 1.00 1.80 H new ATOM 0 H3' DG C 28 -3.095 -18.016 7.632 1.00 1.93 H new ATOM 0 H2' DG C 28 -3.243 -19.193 5.466 1.00 1.78 H new ATOM 0 H2'' DG C 28 -4.898 -18.658 5.683 1.00 1.78 H new ATOM 0 H1' DG C 28 -4.693 -16.915 4.218 1.00 1.59 H new ATOM 0 H8 DG C 28 -1.826 -19.488 3.812 1.00 1.44 H new ATOM 0 H1 DG C 28 -4.383 -17.240 -1.647 1.00 1.19 H new ATOM 0 H21 DG C 28 -6.154 -15.090 0.432 1.00 1.35 H new ATOM 0 H22 DG C 28 -5.810 -15.635 -1.212 1.00 1.35 H new ATOM 2702 P DT C 29 -5.991 -17.357 7.295 1.00 2.11 P ATOM 2703 OP1 DT C 29 -6.762 -16.751 8.400 1.00 2.33 O ATOM 2704 OP2 DT C 29 -5.838 -18.829 7.342 1.00 2.12 O ATOM 2705 O5' DT C 29 -6.621 -16.932 5.893 1.00 1.95 O ATOM 2706 C5' DT C 29 -6.503 -15.553 5.462 1.00 1.92 C ATOM 2707 C4' DT C 29 -7.733 -15.155 4.681 1.00 1.94 C ATOM 2708 O4' DT C 29 -7.595 -15.645 3.309 1.00 1.76 O ATOM 2709 C3' DT C 29 -9.060 -15.741 5.159 1.00 2.08 C ATOM 2710 O3' DT C 29 -10.174 -14.946 4.759 1.00 2.19 O ATOM 2711 C2' DT C 29 -9.118 -17.078 4.438 1.00 1.95 C ATOM 2712 C1' DT C 29 -8.451 -16.753 3.107 1.00 1.77 C ATOM 2713 N1 DT C 29 -7.632 -17.866 2.559 1.00 1.62 N ATOM 2714 C2 DT C 29 -7.655 -18.054 1.193 1.00 1.52 C ATOM 2715 O2 DT C 29 -8.311 -17.352 0.443 1.00 1.57 O ATOM 2716 N3 DT C 29 -6.880 -19.098 0.728 1.00 1.43 N ATOM 2717 C4 DT C 29 -6.109 -19.949 1.485 1.00 1.45 C ATOM 2718 O4 DT C 29 -5.453 -20.853 0.952 1.00 1.42 O ATOM 2719 C5 DT C 29 -6.149 -19.681 2.902 1.00 1.56 C ATOM 2720 C7 DT C 29 -5.315 -20.579 3.765 1.00 1.65 C ATOM 2721 C6 DT C 29 -6.889 -18.666 3.392 1.00 1.64 C ATOM 0 H5' DT C 29 -5.613 -15.430 4.845 1.00 1.92 H new ATOM 0 H5'' DT C 29 -6.383 -14.901 6.327 1.00 1.92 H new ATOM 0 H4' DT C 29 -7.777 -14.072 4.800 1.00 1.94 H new ATOM 0 H3' DT C 29 -9.110 -15.804 6.246 1.00 2.08 H new ATOM 0 H2' DT C 29 -8.584 -17.858 4.982 1.00 1.95 H new ATOM 0 H2'' DT C 29 -10.143 -17.426 4.306 1.00 1.95 H new ATOM 0 HO3' DT C 29 -11.002 -15.357 5.083 1.00 2.19 H new ATOM 0 H1' DT C 29 -9.247 -16.555 2.389 1.00 1.77 H new ATOM 0 H3 DT C 29 -6.879 -19.254 -0.280 1.00 1.43 H new ATOM 0 H71 DT C 29 -5.241 -21.563 3.302 1.00 1.65 H new ATOM 0 H72 DT C 29 -4.317 -20.154 3.875 1.00 1.65 H new ATOM 0 H73 DT C 29 -5.779 -20.674 4.747 1.00 1.65 H new ATOM 0 H6 DT C 29 -6.898 -18.479 4.456 1.00 1.64 H new TER 2735 DT C 29