USER MOD reduce.3.24.130724 H: found=0, std=0, add=1241, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1243 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: C 21 DT C7 :methyl 150:sc= -5.44! (180deg=-5.44!) USER MOD Set 2.1: A 76 CYS SG : rot -110:sc= 0.356 USER MOD Set 2.2: B 6 DT C7 :methyl -30:sc= -3.83! (180deg=-5.06!) USER MOD Set 3.1: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: C 22 DT C7 :methyl -30:sc= -4.11! (180deg=-5.05!) USER MOD Set 4.1: A 70 SER OG : rot 180:sc= 0 USER MOD Set 4.2: B 8 DT C7 :methyl -30:sc= -6.12! (180deg=-7.85!) USER MOD Set 5.1: A 56 GLN :FLIP amide:sc= -0.379 F(o=-3.2!,f=-0.46) USER MOD Set 5.2: A 59 HIS :FLIP no HD1:sc= -0.0845 X(o=-0.66,f=-0.46) USER MOD Set 6.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 16 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.17) USER MOD Single : A 1 ARG N :NH3+ -161:sc= 1.08 (180deg=0.558) USER MOD Single : A 5 GLN : amide:sc= 1.25 K(o=1.2,f=-7.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.0166 USER MOD Single : A 15 MET CE :methyl 175:sc= -0.656 (180deg=-0.696) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 69:sc= 0.185 USER MOD Single : A 27 TYR OH : rot -120:sc= -1.6! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 34 ASN :FLIP amide:sc=-0.00142 F(o=-0.83,f=-0.0014) USER MOD Single : A 37 THR OG1 : rot -0:sc= 0.111 USER MOD Single : A 38 MET CE :methyl 155:sc= -0.209 (180deg=-1.03) USER MOD Single : A 40 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.07) USER MOD Single : A 43 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A 44 LYS NZ :NH3+ -162:sc= 0.109 (180deg=-0.0962) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.563 USER MOD Single : A 52 THR OG1 : rot 78:sc= 0.624 USER MOD Single : A 58 LYS NZ :NH3+ 139:sc= 0.198 (180deg=-0.144) USER MOD Single : A 61 TYR OH : rot 36:sc= 1.28 USER MOD Single : A 67 ASN : amide:sc= -0.428 K(o=-0.43,f=-2.9!) USER MOD Single : A 72 SER OG : rot -88:sc= 1.2 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -4.98! C(o=-6.8!,f=-5!) USER MOD Single : A 81 TYR OH : rot 33:sc= 1.23 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= 1.23 (180deg=1.01) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 179:sc= 0.208 (180deg=0.207) USER MOD Single : A 107 LYS NZ :NH3+ -130:sc= -0.0808 (180deg=-0.58) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 13 DT C7 :methyl -30:sc= -3.76! (180deg=-5.11!) USER MOD Single : B 15 DG O3' : rot 180:sc= 0 USER MOD Single : C 24 DT C7 :methyl -30:sc= -3.82! (180deg=-5.09!) USER MOD Single : C 26 DT C7 :methyl -30:sc= -3.84! (180deg=-5.11!) USER MOD Single : C 27 DT C7 :methyl -30:sc= -4.15! (180deg=-5.03!) USER MOD Single : C 29 DT C7 :methyl -30:sc= -3.76! (180deg=-5.05!) USER MOD Single : C 29 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -13.824 10.765 12.793 1.00 1.75 N ATOM 2 CA ARG A 1 -14.065 9.301 12.930 1.00 1.74 C ATOM 3 C ARG A 1 -15.397 8.849 12.324 1.00 1.77 C ATOM 4 O ARG A 1 -15.430 8.019 11.407 1.00 1.74 O ATOM 5 CB ARG A 1 -13.877 8.850 14.400 1.00 1.77 C ATOM 6 CG ARG A 1 -13.908 7.324 14.614 1.00 1.77 C ATOM 7 CD ARG A 1 -15.285 6.815 15.068 1.00 1.83 C ATOM 8 NE ARG A 1 -15.312 5.347 15.144 1.00 1.84 N ATOM 9 CZ ARG A 1 -15.008 4.566 16.157 1.00 1.86 C ATOM 10 NH1 ARG A 1 -14.608 5.022 17.309 1.00 1.89 N ATOM 11 NH2 ARG A 1 -15.109 3.281 15.999 1.00 1.87 N ATOM 0 H1 ARG A 1 -12.811 10.963 12.916 1.00 1.75 H new ATOM 0 H2 ARG A 1 -14.126 11.080 11.849 1.00 1.75 H new ATOM 0 H3 ARG A 1 -14.367 11.276 13.518 1.00 1.75 H new ATOM 0 HA ARG A 1 -13.308 8.790 12.335 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -12.925 9.235 14.765 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -14.659 9.305 15.008 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -13.629 6.826 13.686 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -13.161 7.051 15.359 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -15.528 7.237 16.043 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -16.050 7.160 14.372 1.00 1.83 H new ATOM 0 HE ARG A 1 -15.607 4.868 14.293 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -14.519 6.027 17.456 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -14.384 4.374 18.064 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -15.418 2.900 15.105 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -14.879 2.653 16.769 1.00 1.87 H new ATOM 27 N ALA A 2 -16.511 9.357 12.861 1.00 1.84 N ATOM 28 CA ALA A 2 -17.843 8.842 12.532 1.00 1.89 C ATOM 29 C ALA A 2 -18.245 9.063 11.065 1.00 1.88 C ATOM 30 O ALA A 2 -18.847 8.184 10.453 1.00 1.89 O ATOM 31 CB ALA A 2 -18.858 9.474 13.494 1.00 1.97 C ATOM 0 H ALA A 2 -16.516 10.128 13.529 1.00 1.84 H new ATOM 0 HA ALA A 2 -17.826 7.759 12.655 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -19.857 9.103 13.265 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -18.600 9.211 14.520 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -18.839 10.558 13.382 1.00 1.97 H new ATOM 37 N ASP A 3 -17.866 10.201 10.481 1.00 1.87 N ATOM 38 CA ASP A 3 -18.161 10.501 9.075 1.00 1.88 C ATOM 39 C ASP A 3 -17.303 9.686 8.091 1.00 1.81 C ATOM 40 O ASP A 3 -17.799 9.307 7.033 1.00 1.82 O ATOM 41 CB ASP A 3 -17.964 12.004 8.846 1.00 1.90 C ATOM 42 CG ASP A 3 -18.455 12.450 7.458 1.00 1.92 C ATOM 43 OD1 ASP A 3 -19.683 12.393 7.206 1.00 1.98 O ATOM 44 OD2 ASP A 3 -17.625 12.906 6.636 1.00 1.89 O ATOM 0 H ASP A 3 -17.350 10.937 10.963 1.00 1.87 H new ATOM 0 HA ASP A 3 -19.194 10.214 8.878 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -18.500 12.560 9.615 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -16.908 12.251 8.952 1.00 1.90 H new ATOM 49 N GLU A 4 -16.063 9.332 8.469 1.00 1.74 N ATOM 50 CA GLU A 4 -15.234 8.440 7.645 1.00 1.68 C ATOM 51 C GLU A 4 -15.846 7.040 7.650 1.00 1.69 C ATOM 52 O GLU A 4 -16.048 6.443 6.594 1.00 1.68 O ATOM 53 CB GLU A 4 -13.794 8.371 8.176 1.00 1.62 C ATOM 54 CG GLU A 4 -13.075 9.727 8.240 1.00 1.61 C ATOM 55 CD GLU A 4 -13.162 10.340 9.648 1.00 1.65 C ATOM 56 OE1 GLU A 4 -14.245 10.825 10.059 1.00 1.71 O ATOM 57 OE2 GLU A 4 -12.164 10.294 10.401 1.00 1.62 O ATOM 0 H GLU A 4 -15.617 9.647 9.331 1.00 1.74 H new ATOM 0 HA GLU A 4 -15.204 8.836 6.630 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -13.809 7.934 9.174 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -13.218 7.698 7.542 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -12.029 9.600 7.960 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -13.518 10.410 7.516 1.00 1.61 H new ATOM 64 N GLN A 5 -16.238 6.549 8.833 1.00 1.72 N ATOM 65 CA GLN A 5 -16.928 5.262 8.921 1.00 1.75 C ATOM 66 C GLN A 5 -18.250 5.260 8.134 1.00 1.81 C ATOM 67 O GLN A 5 -18.468 4.360 7.324 1.00 1.81 O ATOM 68 CB GLN A 5 -17.119 4.809 10.374 1.00 1.78 C ATOM 69 CG GLN A 5 -15.780 4.389 11.016 1.00 1.73 C ATOM 70 CD GLN A 5 -15.955 3.230 11.994 1.00 1.77 C ATOM 71 OE1 GLN A 5 -15.943 3.390 13.208 1.00 1.80 O ATOM 72 NE2 GLN A 5 -16.126 2.019 11.511 1.00 1.77 N ATOM 0 H GLN A 5 -16.091 7.017 9.727 1.00 1.72 H new ATOM 0 HA GLN A 5 -16.281 4.525 8.446 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -17.563 5.618 10.953 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -17.818 3.973 10.407 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -15.077 4.101 10.234 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -15.345 5.241 11.538 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -16.138 1.869 10.502 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -16.246 1.229 12.145 1.00 1.77 H new ATOM 81 N ALA A 6 -19.088 6.291 8.270 1.00 1.86 N ATOM 82 CA ALA A 6 -20.308 6.430 7.473 1.00 1.92 C ATOM 83 C ALA A 6 -20.022 6.419 5.957 1.00 1.90 C ATOM 84 O ALA A 6 -20.626 5.633 5.221 1.00 1.92 O ATOM 85 CB ALA A 6 -21.041 7.707 7.905 1.00 1.98 C ATOM 0 H ALA A 6 -18.940 7.051 8.934 1.00 1.86 H new ATOM 0 HA ALA A 6 -20.948 5.567 7.658 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -21.952 7.820 7.317 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -21.297 7.639 8.962 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -20.395 8.570 7.743 1.00 1.98 H new ATOM 91 N PHE A 7 -19.049 7.210 5.483 1.00 1.85 N ATOM 92 CA PHE A 7 -18.701 7.235 4.061 1.00 1.83 C ATOM 93 C PHE A 7 -17.912 6.001 3.593 1.00 1.77 C ATOM 94 O PHE A 7 -17.915 5.722 2.389 1.00 1.78 O ATOM 95 CB PHE A 7 -18.100 8.596 3.648 1.00 1.82 C ATOM 96 CG PHE A 7 -16.609 8.876 3.804 1.00 1.75 C ATOM 97 CD1 PHE A 7 -15.657 8.159 3.051 1.00 1.69 C ATOM 98 CD2 PHE A 7 -16.180 10.000 4.540 1.00 1.75 C ATOM 99 CE1 PHE A 7 -14.305 8.537 3.062 1.00 1.63 C ATOM 100 CE2 PHE A 7 -14.823 10.370 4.568 1.00 1.69 C ATOM 101 CZ PHE A 7 -13.881 9.633 3.832 1.00 1.63 C ATOM 0 H PHE A 7 -18.493 7.838 6.063 1.00 1.85 H new ATOM 0 HA PHE A 7 -19.632 7.148 3.501 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -18.345 8.747 2.597 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -18.630 9.363 4.212 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -15.971 7.311 2.460 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -16.903 10.585 5.090 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -13.587 7.983 2.476 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -14.506 11.220 5.155 1.00 1.69 H new ATOM 0 HZ PHE A 7 -12.837 9.907 3.858 1.00 1.63 H new ATOM 111 N LEU A 8 -17.358 5.183 4.510 1.00 1.73 N ATOM 112 CA LEU A 8 -16.772 3.908 4.066 1.00 1.69 C ATOM 113 C LEU A 8 -17.787 2.758 4.162 1.00 1.75 C ATOM 114 O LEU A 8 -17.587 1.730 3.525 1.00 1.73 O ATOM 115 CB LEU A 8 -15.488 3.610 4.865 1.00 1.63 C ATOM 116 CG LEU A 8 -14.205 3.574 4.020 1.00 1.56 C ATOM 117 CD1 LEU A 8 -14.138 2.282 3.216 1.00 1.55 C ATOM 118 CD2 LEU A 8 -14.015 4.788 3.105 1.00 1.55 C ATOM 0 H LEU A 8 -17.305 5.369 5.511 1.00 1.73 H new ATOM 0 HA LEU A 8 -16.503 3.998 3.014 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -15.375 4.366 5.642 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -15.603 2.650 5.369 1.00 1.63 H new ATOM 0 HG LEU A 8 -13.380 3.614 4.731 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -13.224 2.270 2.622 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -14.140 1.430 3.896 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -15.002 2.220 2.554 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -13.086 4.680 2.546 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -14.852 4.854 2.409 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -13.973 5.695 3.708 1.00 1.55 H new ATOM 130 N VAL A 9 -18.898 2.929 4.896 1.00 1.81 N ATOM 131 CA VAL A 9 -20.043 2.001 4.811 1.00 1.87 C ATOM 132 C VAL A 9 -20.807 2.256 3.504 1.00 1.92 C ATOM 133 O VAL A 9 -21.205 1.310 2.817 1.00 1.94 O ATOM 134 CB VAL A 9 -20.956 2.123 6.052 1.00 1.93 C ATOM 135 CG1 VAL A 9 -22.304 1.406 5.887 1.00 2.01 C ATOM 136 CG2 VAL A 9 -20.265 1.497 7.272 1.00 1.91 C ATOM 0 H VAL A 9 -19.030 3.698 5.553 1.00 1.81 H new ATOM 0 HA VAL A 9 -19.676 0.975 4.800 1.00 1.87 H new ATOM 0 HB VAL A 9 -21.138 3.190 6.182 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -22.896 1.531 6.794 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -22.842 1.833 5.041 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -22.132 0.344 5.709 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -20.914 1.586 8.143 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -20.064 0.444 7.076 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -19.326 2.016 7.464 1.00 1.91 H new ATOM 146 N ALA A 10 -20.929 3.524 3.098 1.00 1.93 N ATOM 147 CA ALA A 10 -21.437 3.874 1.771 1.00 1.97 C ATOM 148 C ALA A 10 -20.527 3.344 0.644 1.00 1.92 C ATOM 149 O ALA A 10 -21.034 2.720 -0.298 1.00 1.96 O ATOM 150 CB ALA A 10 -21.607 5.396 1.696 1.00 1.99 C ATOM 0 H ALA A 10 -20.681 4.328 3.675 1.00 1.93 H new ATOM 0 HA ALA A 10 -22.404 3.394 1.622 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -21.985 5.672 0.712 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -22.313 5.721 2.460 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -20.644 5.878 1.863 1.00 1.99 H new ATOM 156 N LEU A 11 -19.194 3.504 0.762 1.00 1.84 N ATOM 157 CA LEU A 11 -18.275 2.824 -0.159 1.00 1.80 C ATOM 158 C LEU A 11 -18.418 1.308 -0.079 1.00 1.80 C ATOM 159 O LEU A 11 -18.454 0.688 -1.129 1.00 1.82 O ATOM 160 CB LEU A 11 -16.803 3.214 0.043 1.00 1.71 C ATOM 161 CG LEU A 11 -15.856 2.490 -0.949 1.00 1.67 C ATOM 162 CD1 LEU A 11 -16.113 2.823 -2.420 1.00 1.71 C ATOM 163 CD2 LEU A 11 -14.412 2.867 -0.660 1.00 1.59 C ATOM 0 H LEU A 11 -18.742 4.084 1.469 1.00 1.84 H new ATOM 0 HA LEU A 11 -18.567 3.163 -1.153 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -16.696 4.292 -0.078 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -16.504 2.977 1.064 1.00 1.71 H new ATOM 0 HG LEU A 11 -16.051 1.428 -0.799 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -15.408 2.275 -3.046 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -17.131 2.538 -2.685 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -15.983 3.894 -2.579 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -13.755 2.354 -1.362 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -14.289 3.944 -0.769 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -14.156 2.574 0.358 1.00 1.59 H new ATOM 175 N TYR A 12 -18.520 0.691 1.101 1.00 1.80 N ATOM 176 CA TYR A 12 -18.683 -0.762 1.225 1.00 1.81 C ATOM 177 C TYR A 12 -19.866 -1.271 0.398 1.00 1.89 C ATOM 178 O TYR A 12 -19.702 -2.228 -0.362 1.00 1.89 O ATOM 179 CB TYR A 12 -18.809 -1.185 2.695 1.00 1.82 C ATOM 180 CG TYR A 12 -19.302 -2.607 2.901 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.590 -3.692 2.355 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.516 -2.837 3.585 1.00 1.94 C ATOM 183 CE1 TYR A 12 -19.091 -5.004 2.480 1.00 1.89 C ATOM 184 CE2 TYR A 12 -21.012 -4.146 3.721 1.00 1.99 C ATOM 185 CZ TYR A 12 -20.304 -5.234 3.166 1.00 1.96 C ATOM 186 OH TYR A 12 -20.792 -6.500 3.280 1.00 2.02 O ATOM 0 H TYR A 12 -18.492 1.181 1.995 1.00 1.80 H new ATOM 0 HA TYR A 12 -17.782 -1.225 0.822 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -17.836 -1.078 3.175 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.491 -0.501 3.200 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.657 -3.519 1.839 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -21.064 -2.006 4.004 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -18.547 -5.833 2.051 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -21.937 -4.319 4.251 1.00 1.99 H new ATOM 0 HH TYR A 12 -21.634 -6.482 3.782 1.00 2.02 H new ATOM 196 N LYS A 13 -21.021 -0.591 0.464 1.00 1.95 N ATOM 197 CA LYS A 13 -22.150 -0.899 -0.423 1.00 2.03 C ATOM 198 C LYS A 13 -21.780 -0.704 -1.895 1.00 2.02 C ATOM 199 O LYS A 13 -21.877 -1.671 -2.658 1.00 2.05 O ATOM 200 CB LYS A 13 -23.388 -0.094 0.011 1.00 2.10 C ATOM 201 CG LYS A 13 -24.644 -0.503 -0.775 1.00 2.18 C ATOM 202 CD LYS A 13 -25.903 0.272 -0.348 1.00 2.25 C ATOM 203 CE LYS A 13 -26.334 -0.060 1.088 1.00 2.27 C ATOM 204 NZ LYS A 13 -27.600 0.632 1.451 1.00 2.34 N ATOM 0 H LYS A 13 -21.196 0.171 1.119 1.00 1.95 H new ATOM 0 HA LYS A 13 -22.403 -1.955 -0.330 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.562 -0.243 1.077 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -23.199 0.969 -0.135 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.468 -0.341 -1.839 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -24.818 -1.570 -0.640 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -25.713 1.342 -0.429 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -26.719 0.040 -1.032 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.465 -1.137 1.190 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.546 0.232 1.782 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -27.863 0.386 2.427 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.467 1.661 1.377 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -28.357 0.334 0.803 1.00 2.34 H new ATOM 218 N TYR A 14 -21.302 0.478 -2.308 1.00 2.00 N ATOM 219 CA TYR A 14 -20.901 0.664 -3.709 1.00 2.00 C ATOM 220 C TYR A 14 -19.838 -0.318 -4.235 1.00 1.95 C ATOM 221 O TYR A 14 -19.965 -0.811 -5.354 1.00 1.99 O ATOM 222 CB TYR A 14 -20.427 2.115 -3.873 1.00 1.98 C ATOM 223 CG TYR A 14 -20.251 2.550 -5.315 1.00 2.01 C ATOM 224 CD1 TYR A 14 -21.381 2.920 -6.072 1.00 2.10 C ATOM 225 CD2 TYR A 14 -18.971 2.578 -5.904 1.00 1.96 C ATOM 226 CE1 TYR A 14 -21.237 3.313 -7.414 1.00 2.14 C ATOM 227 CE2 TYR A 14 -18.824 2.964 -7.252 1.00 1.99 C ATOM 228 CZ TYR A 14 -19.958 3.331 -8.009 1.00 2.09 C ATOM 229 OH TYR A 14 -19.814 3.669 -9.321 1.00 2.13 O ATOM 0 H TYR A 14 -21.186 1.298 -1.712 1.00 2.00 H new ATOM 0 HA TYR A 14 -21.778 0.446 -4.319 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -21.146 2.777 -3.390 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -19.479 2.237 -3.350 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -22.361 2.901 -5.619 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -18.103 2.304 -5.323 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -22.105 3.601 -7.989 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -17.844 2.979 -7.706 1.00 1.99 H new ATOM 0 HH TYR A 14 -18.866 3.631 -9.567 1.00 2.13 H new ATOM 239 N MET A 15 -18.811 -0.652 -3.447 1.00 1.88 N ATOM 240 CA MET A 15 -17.736 -1.546 -3.869 1.00 1.83 C ATOM 241 C MET A 15 -18.181 -3.016 -3.868 1.00 1.86 C ATOM 242 O MET A 15 -17.756 -3.776 -4.739 1.00 1.86 O ATOM 243 CB MET A 15 -16.431 -1.270 -3.115 1.00 1.74 C ATOM 244 CG MET A 15 -16.377 -1.763 -1.671 1.00 1.72 C ATOM 245 SD MET A 15 -14.980 -1.132 -0.695 1.00 1.62 S ATOM 246 CE MET A 15 -13.569 -1.463 -1.789 1.00 1.57 C ATOM 0 H MET A 15 -18.705 -0.306 -2.493 1.00 1.88 H new ATOM 0 HA MET A 15 -17.504 -1.326 -4.911 1.00 1.83 H new ATOM 0 HB2 MET A 15 -15.611 -1.730 -3.666 1.00 1.74 H new ATOM 0 HB3 MET A 15 -16.253 -0.195 -3.118 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.305 -1.483 -1.172 1.00 1.72 H new ATOM 0 HG3 MET A 15 -16.334 -2.852 -1.676 1.00 1.72 H new ATOM 0 HE1 MET A 15 -12.663 -1.045 -1.351 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.449 -2.539 -1.913 1.00 1.57 H new ATOM 0 HE3 MET A 15 -13.747 -1.004 -2.761 1.00 1.57 H new ATOM 256 N LYS A 16 -19.112 -3.420 -2.983 1.00 1.90 N ATOM 257 CA LYS A 16 -19.772 -4.733 -3.087 1.00 1.96 C ATOM 258 C LYS A 16 -20.617 -4.829 -4.367 1.00 2.03 C ATOM 259 O LYS A 16 -20.560 -5.841 -5.061 1.00 2.05 O ATOM 260 CB LYS A 16 -20.584 -4.993 -1.808 1.00 1.99 C ATOM 261 CG LYS A 16 -21.173 -6.409 -1.771 1.00 2.05 C ATOM 262 CD LYS A 16 -21.510 -6.822 -0.331 1.00 2.07 C ATOM 263 CE LYS A 16 -22.145 -8.215 -0.316 1.00 2.13 C ATOM 264 NZ LYS A 16 -22.164 -8.780 1.056 1.00 2.15 N ATOM 0 H LYS A 16 -19.423 -2.857 -2.191 1.00 1.90 H new ATOM 0 HA LYS A 16 -19.021 -5.519 -3.170 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -19.945 -4.845 -0.938 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.391 -4.264 -1.738 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -22.072 -6.450 -2.386 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -20.462 -7.115 -2.200 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.605 -6.820 0.277 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -22.193 -6.098 0.112 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -23.162 -8.158 -0.703 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.589 -8.879 -0.978 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.746 -9.642 1.068 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -21.194 -9.013 1.349 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -22.566 -8.082 1.714 1.00 2.15 H new ATOM 278 N GLU A 17 -21.281 -3.736 -4.750 1.00 2.07 N ATOM 279 CA GLU A 17 -21.941 -3.619 -6.068 1.00 2.13 C ATOM 280 C GLU A 17 -20.945 -3.478 -7.256 1.00 2.10 C ATOM 281 O GLU A 17 -21.359 -3.396 -8.414 1.00 2.16 O ATOM 282 CB GLU A 17 -22.940 -2.445 -6.000 1.00 2.18 C ATOM 283 CG GLU A 17 -24.058 -2.512 -7.048 1.00 2.27 C ATOM 284 CD GLU A 17 -25.124 -1.428 -6.790 1.00 2.33 C ATOM 285 OE1 GLU A 17 -24.990 -0.299 -7.324 1.00 2.34 O ATOM 286 OE2 GLU A 17 -26.111 -1.699 -6.066 1.00 2.37 O ATOM 0 H GLU A 17 -21.381 -2.907 -4.164 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.470 -4.549 -6.276 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -23.389 -2.421 -5.007 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -22.394 -1.510 -6.126 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -23.636 -2.382 -8.044 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -24.524 -3.497 -7.026 1.00 2.27 H new ATOM 293 N ARG A 18 -19.630 -3.473 -6.979 1.00 2.02 N ATOM 294 CA ARG A 18 -18.573 -3.470 -8.017 1.00 1.99 C ATOM 295 C ARG A 18 -17.662 -4.713 -7.933 1.00 1.95 C ATOM 296 O ARG A 18 -16.545 -4.707 -8.456 1.00 1.90 O ATOM 297 CB ARG A 18 -17.807 -2.121 -8.011 1.00 1.94 C ATOM 298 CG ARG A 18 -18.413 -1.071 -8.962 1.00 2.01 C ATOM 299 CD ARG A 18 -19.668 -0.372 -8.425 1.00 2.06 C ATOM 300 NE ARG A 18 -20.334 0.413 -9.479 1.00 2.13 N ATOM 301 CZ ARG A 18 -21.300 0.003 -10.287 1.00 2.22 C ATOM 302 NH1 ARG A 18 -21.802 -1.199 -10.239 1.00 2.24 N ATOM 303 NH2 ARG A 18 -21.780 0.815 -11.185 1.00 2.28 N ATOM 0 H ARG A 18 -19.264 -3.471 -6.027 1.00 2.02 H new ATOM 0 HA ARG A 18 -19.050 -3.550 -8.994 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -17.798 -1.721 -6.997 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -16.769 -2.299 -8.292 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -17.657 -0.316 -9.178 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -18.659 -1.555 -9.907 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -20.360 -1.115 -8.030 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -19.396 0.283 -7.597 1.00 2.06 H new ATOM 0 HE ARG A 18 -20.017 1.375 -9.599 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -21.451 -1.871 -9.557 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -22.546 -1.467 -10.883 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -21.412 1.763 -11.264 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -22.524 0.503 -11.809 1.00 2.28 H new ATOM 317 N LYS A 19 -18.139 -5.795 -7.294 1.00 1.97 N ATOM 318 CA LYS A 19 -17.481 -7.115 -7.162 1.00 1.95 C ATOM 319 C LYS A 19 -16.164 -7.033 -6.381 1.00 1.86 C ATOM 320 O LYS A 19 -15.299 -7.910 -6.485 1.00 1.84 O ATOM 321 CB LYS A 19 -17.344 -7.809 -8.538 1.00 1.99 C ATOM 322 CG LYS A 19 -18.686 -7.947 -9.278 1.00 2.09 C ATOM 323 CD LYS A 19 -18.505 -8.663 -10.623 1.00 2.13 C ATOM 324 CE LYS A 19 -19.849 -8.752 -11.357 1.00 2.22 C ATOM 325 NZ LYS A 19 -19.709 -9.416 -12.680 1.00 2.27 N ATOM 0 H LYS A 19 -19.046 -5.775 -6.828 1.00 1.97 H new ATOM 0 HA LYS A 19 -18.127 -7.753 -6.559 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -16.650 -7.241 -9.158 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -16.909 -8.799 -8.398 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -19.391 -8.502 -8.659 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -19.117 -6.959 -9.443 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -17.782 -8.125 -11.236 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -18.104 -9.663 -10.460 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -20.562 -9.305 -10.746 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -20.256 -7.750 -11.494 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -20.637 -9.458 -13.147 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -19.048 -8.874 -13.272 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -19.344 -10.381 -12.547 1.00 2.27 H new ATOM 339 N THR A 20 -16.043 -5.979 -5.568 1.00 1.82 N ATOM 340 CA THR A 20 -14.823 -5.699 -4.809 1.00 1.73 C ATOM 341 C THR A 20 -15.159 -5.299 -3.361 1.00 1.72 C ATOM 342 O THR A 20 -14.793 -4.207 -2.933 1.00 1.68 O ATOM 343 CB THR A 20 -13.944 -4.646 -5.532 1.00 1.69 C ATOM 344 OG1 THR A 20 -13.826 -4.932 -6.912 1.00 1.72 O ATOM 345 CG2 THR A 20 -12.503 -4.606 -5.012 1.00 1.61 C ATOM 0 H THR A 20 -16.787 -5.298 -5.419 1.00 1.82 H new ATOM 0 HA THR A 20 -14.231 -6.612 -4.755 1.00 1.73 H new ATOM 0 HB THR A 20 -14.450 -3.699 -5.344 1.00 1.69 H new ATOM 0 HG1 THR A 20 -14.690 -4.786 -7.351 1.00 1.72 H new ATOM 0 HG21 THR A 20 -11.940 -3.849 -5.558 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.506 -4.360 -3.950 1.00 1.61 H new ATOM 0 HG23 THR A 20 -12.037 -5.580 -5.157 1.00 1.61 H new ATOM 353 N PRO A 21 -15.909 -6.115 -2.589 1.00 1.76 N ATOM 354 CA PRO A 21 -16.288 -5.785 -1.210 1.00 1.76 C ATOM 355 C PRO A 21 -15.082 -5.740 -0.255 1.00 1.69 C ATOM 356 O PRO A 21 -14.062 -6.386 -0.492 1.00 1.66 O ATOM 357 CB PRO A 21 -17.273 -6.887 -0.798 1.00 1.84 C ATOM 358 CG PRO A 21 -16.822 -8.092 -1.619 1.00 1.85 C ATOM 359 CD PRO A 21 -16.393 -7.447 -2.934 1.00 1.82 C ATOM 0 HA PRO A 21 -16.724 -4.788 -1.155 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -17.225 -7.089 0.272 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -18.303 -6.610 -1.024 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -16.001 -8.626 -1.141 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.628 -8.811 -1.763 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.612 -8.032 -3.419 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -17.229 -7.390 -3.632 1.00 1.82 H new ATOM 367 N ILE A 22 -15.234 -5.070 0.893 1.00 1.68 N ATOM 368 CA ILE A 22 -14.243 -5.150 1.997 1.00 1.64 C ATOM 369 C ILE A 22 -14.088 -6.609 2.501 1.00 1.67 C ATOM 370 O ILE A 22 -13.043 -7.004 3.011 1.00 1.64 O ATOM 371 CB ILE A 22 -14.622 -4.130 3.106 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.520 -2.701 2.534 1.00 1.61 C ATOM 373 CG2 ILE A 22 -13.737 -4.273 4.359 1.00 1.61 C ATOM 374 CD1 ILE A 22 -14.942 -1.581 3.491 1.00 1.62 C ATOM 0 H ILE A 22 -16.030 -4.464 1.091 1.00 1.68 H new ATOM 0 HA ILE A 22 -13.253 -4.869 1.636 1.00 1.64 H new ATOM 0 HB ILE A 22 -15.646 -4.335 3.420 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.490 -2.524 2.225 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -15.136 -2.642 1.637 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -14.041 -3.539 5.105 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -13.849 -5.276 4.771 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -12.694 -4.106 4.089 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -14.833 -0.617 2.994 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -15.983 -1.724 3.782 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -14.311 -1.604 4.379 1.00 1.62 H new ATOM 386 N GLU A 23 -15.115 -7.427 2.252 1.00 1.74 N ATOM 387 CA GLU A 23 -15.047 -8.892 2.431 1.00 1.78 C ATOM 388 C GLU A 23 -13.887 -9.601 1.678 1.00 1.75 C ATOM 389 O GLU A 23 -13.581 -10.752 2.004 1.00 1.78 O ATOM 390 CB GLU A 23 -16.394 -9.544 2.078 1.00 1.87 C ATOM 391 CG GLU A 23 -17.547 -9.049 2.960 1.00 1.91 C ATOM 392 CD GLU A 23 -18.838 -9.832 2.667 1.00 2.00 C ATOM 393 OE1 GLU A 23 -19.567 -9.465 1.714 1.00 2.02 O ATOM 394 OE2 GLU A 23 -19.136 -10.819 3.385 1.00 2.06 O ATOM 0 H GLU A 23 -16.021 -7.098 1.920 1.00 1.74 H new ATOM 0 HA GLU A 23 -14.825 -9.033 3.489 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.628 -9.339 1.034 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -16.305 -10.626 2.178 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -17.280 -9.161 4.011 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -17.714 -7.986 2.785 1.00 1.91 H new ATOM 401 N ARG A 24 -13.190 -8.937 0.730 1.00 1.69 N ATOM 402 CA ARG A 24 -11.942 -9.420 0.083 1.00 1.65 C ATOM 403 C ARG A 24 -10.688 -8.586 0.426 1.00 1.57 C ATOM 404 O ARG A 24 -9.637 -8.762 -0.193 1.00 1.53 O ATOM 405 CB ARG A 24 -12.161 -9.637 -1.434 1.00 1.67 C ATOM 406 CG ARG A 24 -11.960 -8.399 -2.334 1.00 1.62 C ATOM 407 CD ARG A 24 -12.481 -8.624 -3.764 1.00 1.67 C ATOM 408 NE ARG A 24 -11.724 -9.661 -4.489 1.00 1.67 N ATOM 409 CZ ARG A 24 -11.978 -10.126 -5.703 1.00 1.72 C ATOM 410 NH1 ARG A 24 -12.977 -9.711 -6.433 1.00 1.77 N ATOM 411 NH2 ARG A 24 -11.206 -11.039 -6.221 1.00 1.72 N ATOM 0 H ARG A 24 -13.485 -8.025 0.382 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.715 -10.394 0.517 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -11.481 -10.419 -1.770 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -13.174 -10.009 -1.584 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -12.474 -7.545 -1.893 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -10.900 -8.148 -2.371 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -13.532 -8.910 -3.723 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.427 -7.687 -4.318 1.00 1.67 H new ATOM 0 HE ARG A 24 -10.921 -10.062 -4.005 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.608 -8.994 -6.074 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -13.127 -10.103 -7.362 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -10.409 -11.393 -5.692 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -11.399 -11.399 -7.156 1.00 1.72 H new ATOM 425 N ILE A 25 -10.782 -7.708 1.428 1.00 1.55 N ATOM 426 CA ILE A 25 -9.742 -6.772 1.895 1.00 1.48 C ATOM 427 C ILE A 25 -9.586 -6.937 3.428 1.00 1.49 C ATOM 428 O ILE A 25 -10.096 -6.126 4.207 1.00 1.50 O ATOM 429 CB ILE A 25 -10.065 -5.312 1.473 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.522 -5.180 -0.001 1.00 1.46 C ATOM 431 CG2 ILE A 25 -8.804 -4.457 1.705 1.00 1.37 C ATOM 432 CD1 ILE A 25 -10.937 -3.759 -0.400 1.00 1.45 C ATOM 0 H ILE A 25 -11.640 -7.622 1.973 1.00 1.55 H new ATOM 0 HA ILE A 25 -8.787 -7.005 1.424 1.00 1.48 H new ATOM 0 HB ILE A 25 -10.903 -4.969 2.080 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.712 -5.507 -0.653 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -11.361 -5.854 -0.172 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -9.005 -3.426 1.416 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.530 -4.491 2.759 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -7.983 -4.849 1.104 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -11.244 -3.750 -1.446 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -11.769 -3.434 0.225 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -10.094 -3.082 -0.263 1.00 1.45 H new ATOM 444 N PRO A 26 -9.016 -8.081 3.858 1.00 1.53 N ATOM 445 CA PRO A 26 -8.969 -8.470 5.272 1.00 1.57 C ATOM 446 C PRO A 26 -8.063 -7.698 6.220 1.00 1.52 C ATOM 447 O PRO A 26 -8.495 -7.375 7.327 1.00 1.50 O ATOM 448 CB PRO A 26 -8.550 -9.939 5.228 1.00 1.62 C ATOM 449 CG PRO A 26 -7.842 -10.126 3.932 1.00 1.59 C ATOM 450 CD PRO A 26 -8.352 -9.069 2.991 1.00 1.55 C ATOM 0 HA PRO A 26 -9.946 -8.250 5.703 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -7.899 -10.184 6.067 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -9.418 -10.594 5.296 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -6.764 -10.035 4.066 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -8.030 -11.122 3.531 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -7.537 -8.616 2.427 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -9.048 -9.489 2.265 1.00 1.55 H new ATOM 458 N TYR A 27 -6.830 -7.390 5.848 1.00 1.52 N ATOM 459 CA TYR A 27 -5.962 -6.728 6.814 1.00 1.49 C ATOM 460 C TYR A 27 -5.218 -5.507 6.286 1.00 1.38 C ATOM 461 O TYR A 27 -5.398 -5.049 5.162 1.00 1.34 O ATOM 462 CB TYR A 27 -4.908 -7.707 7.363 1.00 1.61 C ATOM 463 CG TYR A 27 -5.241 -9.187 7.265 1.00 1.65 C ATOM 464 CD1 TYR A 27 -4.893 -9.928 6.137 1.00 1.76 C ATOM 465 CD2 TYR A 27 -5.866 -9.852 8.314 1.00 1.91 C ATOM 466 CE1 TYR A 27 -5.163 -11.284 6.060 1.00 2.09 C ATOM 467 CE2 TYR A 27 -6.129 -11.207 8.247 1.00 2.21 C ATOM 468 CZ TYR A 27 -5.779 -11.916 7.119 1.00 2.29 C ATOM 469 OH TYR A 27 -6.039 -13.264 7.059 1.00 2.75 O ATOM 0 H TYR A 27 -6.421 -7.575 4.932 1.00 1.52 H new ATOM 0 HA TYR A 27 -6.647 -6.385 7.589 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -3.971 -7.532 6.833 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -4.731 -7.466 8.411 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -4.404 -9.436 5.309 1.00 1.76 H new ATOM 0 HD2 TYR A 27 -6.151 -9.300 9.197 1.00 1.91 H new ATOM 0 HE1 TYR A 27 -4.893 -11.843 5.176 1.00 2.09 H new ATOM 0 HE2 TYR A 27 -6.607 -11.708 9.076 1.00 2.21 H new ATOM 0 HH TYR A 27 -7.004 -13.415 7.142 1.00 2.75 H new ATOM 479 N LEU A 28 -4.393 -5.008 7.200 1.00 1.39 N ATOM 480 CA LEU A 28 -3.481 -3.890 7.022 1.00 1.35 C ATOM 481 C LEU A 28 -2.099 -4.491 7.215 1.00 1.35 C ATOM 482 O LEU A 28 -2.019 -5.582 7.785 1.00 1.38 O ATOM 483 CB LEU A 28 -3.750 -2.816 8.076 1.00 1.42 C ATOM 484 CG LEU A 28 -3.333 -1.393 7.712 1.00 1.37 C ATOM 485 CD1 LEU A 28 -4.208 -0.840 6.599 1.00 1.58 C ATOM 486 CD2 LEU A 28 -3.397 -0.498 8.942 1.00 1.77 C ATOM 0 H LEU A 28 -4.342 -5.399 8.141 1.00 1.39 H new ATOM 0 HA LEU A 28 -3.591 -3.411 6.049 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -4.817 -2.814 8.298 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -3.234 -3.100 8.993 1.00 1.42 H new ATOM 0 HG LEU A 28 -2.305 -1.416 7.350 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -3.891 0.175 6.357 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -4.113 -1.470 5.715 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -5.248 -0.828 6.926 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -3.098 0.514 8.671 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -4.416 -0.484 9.329 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -2.723 -0.883 9.708 1.00 1.77 H new ATOM 498 N GLY A 29 -1.026 -3.809 6.809 1.00 1.36 N ATOM 499 CA GLY A 29 0.306 -4.409 6.913 1.00 1.41 C ATOM 500 C GLY A 29 0.554 -5.141 8.232 1.00 1.47 C ATOM 501 O GLY A 29 0.972 -6.300 8.221 1.00 1.53 O ATOM 0 H GLY A 29 -1.049 -2.868 6.416 1.00 1.36 H new ATOM 0 HA2 GLY A 29 0.444 -5.109 6.089 1.00 1.41 H new ATOM 0 HA3 GLY A 29 1.056 -3.627 6.796 1.00 1.41 H new ATOM 505 N PHE A 30 0.306 -4.484 9.361 1.00 1.52 N ATOM 506 CA PHE A 30 0.477 -5.136 10.665 1.00 1.61 C ATOM 507 C PHE A 30 -0.858 -5.561 11.318 1.00 1.61 C ATOM 508 O PHE A 30 -1.037 -6.717 11.698 1.00 1.66 O ATOM 509 CB PHE A 30 1.312 -4.266 11.621 1.00 1.76 C ATOM 510 CG PHE A 30 0.598 -3.076 12.212 1.00 1.83 C ATOM 511 CD1 PHE A 30 0.138 -2.056 11.390 1.00 2.34 C ATOM 512 CD2 PHE A 30 0.379 -2.976 13.578 1.00 2.24 C ATOM 513 CE1 PHE A 30 -0.526 -0.966 11.918 1.00 2.75 C ATOM 514 CE2 PHE A 30 -0.280 -1.885 14.110 1.00 2.87 C ATOM 515 CZ PHE A 30 -0.704 -0.883 13.322 1.00 2.93 C ATOM 0 H PHE A 30 -0.010 -3.515 9.406 1.00 1.52 H new ATOM 0 HA PHE A 30 1.026 -6.057 10.470 1.00 1.61 H new ATOM 0 HB2 PHE A 30 1.669 -4.894 12.437 1.00 1.76 H new ATOM 0 HB3 PHE A 30 2.191 -3.910 11.085 1.00 1.76 H new ATOM 0 HD1 PHE A 30 0.301 -2.116 10.324 1.00 2.34 H new ATOM 0 HD2 PHE A 30 0.728 -3.760 14.233 1.00 2.24 H new ATOM 0 HE1 PHE A 30 -0.904 -0.188 11.271 1.00 2.75 H new ATOM 0 HE2 PHE A 30 -0.457 -1.837 15.174 1.00 2.87 H new ATOM 0 HZ PHE A 30 -1.179 -0.016 13.757 1.00 2.93 H new ATOM 525 N LYS A 31 -1.784 -4.604 11.432 1.00 1.61 N ATOM 526 CA LYS A 31 -3.082 -4.795 12.102 1.00 1.66 C ATOM 527 C LYS A 31 -4.259 -4.858 11.121 1.00 1.60 C ATOM 528 O LYS A 31 -4.074 -5.066 9.933 1.00 1.53 O ATOM 529 CB LYS A 31 -3.304 -3.649 13.085 1.00 1.73 C ATOM 530 CG LYS A 31 -4.046 -4.044 14.351 1.00 1.80 C ATOM 531 CD LYS A 31 -4.766 -2.846 14.947 1.00 2.09 C ATOM 532 CE LYS A 31 -3.813 -1.675 15.166 1.00 2.48 C ATOM 533 NZ LYS A 31 -4.534 -0.400 15.446 1.00 3.02 N ATOM 0 H LYS A 31 -1.656 -3.663 11.059 1.00 1.61 H new ATOM 0 HA LYS A 31 -3.046 -5.755 12.617 1.00 1.66 H new ATOM 0 HB2 LYS A 31 -2.336 -3.230 13.361 1.00 1.73 H new ATOM 0 HB3 LYS A 31 -3.862 -2.858 12.583 1.00 1.73 H new ATOM 0 HG2 LYS A 31 -4.765 -4.832 14.126 1.00 1.80 H new ATOM 0 HG3 LYS A 31 -3.344 -4.451 15.078 1.00 1.80 H new ATOM 0 HD2 LYS A 31 -5.575 -2.539 14.284 1.00 2.09 H new ATOM 0 HD3 LYS A 31 -5.221 -3.129 15.896 1.00 2.09 H new ATOM 0 HE2 LYS A 31 -3.147 -1.903 15.998 1.00 2.48 H new ATOM 0 HE3 LYS A 31 -3.187 -1.549 14.282 1.00 2.48 H new ATOM 0 HZ1 LYS A 31 -3.844 0.365 15.588 1.00 3.02 H new ATOM 0 HZ2 LYS A 31 -5.150 -0.166 14.642 1.00 3.02 H new ATOM 0 HZ3 LYS A 31 -5.111 -0.509 16.304 1.00 3.02 H new ATOM 547 N GLN A 32 -5.485 -4.745 11.667 1.00 1.67 N ATOM 548 CA GLN A 32 -6.725 -4.758 10.874 1.00 1.66 C ATOM 549 C GLN A 32 -6.764 -3.568 9.901 1.00 1.58 C ATOM 550 O GLN A 32 -5.962 -2.643 10.028 1.00 1.55 O ATOM 551 CB GLN A 32 -7.937 -4.726 11.806 1.00 1.78 C ATOM 552 CG GLN A 32 -7.988 -5.909 12.759 1.00 1.93 C ATOM 553 CD GLN A 32 -9.077 -5.773 13.801 1.00 2.33 C ATOM 554 OE1 GLN A 32 -9.431 -4.665 14.207 1.00 2.95 O ATOM 555 NE2 GLN A 32 -9.611 -6.902 14.245 1.00 2.75 N ATOM 0 H GLN A 32 -5.641 -4.642 12.670 1.00 1.67 H new ATOM 0 HA GLN A 32 -6.753 -5.675 10.286 1.00 1.66 H new ATOM 0 HB2 GLN A 32 -7.919 -3.802 12.384 1.00 1.78 H new ATOM 0 HB3 GLN A 32 -8.848 -4.710 11.207 1.00 1.78 H new ATOM 0 HG2 GLN A 32 -8.149 -6.823 12.188 1.00 1.93 H new ATOM 0 HG3 GLN A 32 -7.024 -6.010 13.258 1.00 1.93 H new ATOM 0 HE21 GLN A 32 -9.287 -7.798 13.880 1.00 2.75 H new ATOM 0 HE22 GLN A 32 -10.346 -6.875 14.951 1.00 2.75 H new ATOM 564 N ILE A 33 -7.739 -3.567 8.974 1.00 1.56 N ATOM 565 CA ILE A 33 -7.830 -2.530 7.921 1.00 1.51 C ATOM 566 C ILE A 33 -7.865 -1.101 8.456 1.00 1.50 C ATOM 567 O ILE A 33 -7.075 -0.270 8.001 1.00 1.47 O ATOM 568 CB ILE A 33 -9.077 -2.728 7.013 1.00 1.53 C ATOM 569 CG1 ILE A 33 -10.304 -3.142 7.837 1.00 1.90 C ATOM 570 CG2 ILE A 33 -8.791 -3.742 5.923 1.00 2.04 C ATOM 571 CD1 ILE A 33 -11.613 -3.110 7.067 1.00 2.36 C ATOM 0 H ILE A 33 -8.476 -4.271 8.930 1.00 1.56 H new ATOM 0 HA ILE A 33 -6.913 -2.661 7.347 1.00 1.51 H new ATOM 0 HB ILE A 33 -9.302 -1.772 6.540 1.00 1.53 H new ATOM 0 HG12 ILE A 33 -10.146 -4.150 8.221 1.00 1.90 H new ATOM 0 HG13 ILE A 33 -10.387 -2.482 8.700 1.00 1.90 H new ATOM 0 HG21 ILE A 33 -9.676 -3.865 5.299 1.00 2.04 H new ATOM 0 HG22 ILE A 33 -7.961 -3.392 5.309 1.00 2.04 H new ATOM 0 HG23 ILE A 33 -8.530 -4.699 6.375 1.00 2.04 H new ATOM 0 HD11 ILE A 33 -12.428 -3.416 7.723 1.00 2.36 H new ATOM 0 HD12 ILE A 33 -11.798 -2.098 6.706 1.00 2.36 H new ATOM 0 HD13 ILE A 33 -11.553 -3.793 6.219 1.00 2.36 H new ATOM 583 N ASN A 34 -8.756 -0.832 9.414 1.00 1.56 N ATOM 584 CA ASN A 34 -8.895 0.503 10.026 1.00 1.58 C ATOM 585 C ASN A 34 -8.663 1.634 9.003 1.00 1.57 C ATOM 586 O ASN A 34 -7.618 2.288 9.001 1.00 1.91 O ATOM 587 CB ASN A 34 -7.924 0.630 11.207 1.00 1.60 C ATOM 588 CG ASN A 34 -8.185 -0.399 12.302 1.00 1.73 C ATOM 589 OD1 ASN A 34 -9.454 -0.735 12.511 1.00 2.14 O flip ATOM 590 ND2 ASN A 34 -7.260 -0.880 12.959 1.00 2.10 N flip ATOM 0 H ASN A 34 -9.401 -1.527 9.790 1.00 1.56 H new ATOM 0 HA ASN A 34 -9.919 0.607 10.386 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -6.902 0.517 10.845 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -8.003 1.631 11.630 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -6.299 -0.597 12.769 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -7.456 -1.561 13.693 1.00 2.10 H new ATOM 597 N LEU A 35 -9.658 1.854 8.147 1.00 1.38 N ATOM 598 CA LEU A 35 -9.571 2.850 7.075 1.00 1.34 C ATOM 599 C LEU A 35 -9.322 4.284 7.559 1.00 1.32 C ATOM 600 O LEU A 35 -8.341 4.906 7.149 1.00 1.28 O ATOM 601 CB LEU A 35 -10.847 2.804 6.233 1.00 1.40 C ATOM 602 CG LEU A 35 -10.787 3.548 4.894 1.00 1.43 C ATOM 603 CD1 LEU A 35 -11.097 5.021 5.090 1.00 1.47 C ATOM 604 CD2 LEU A 35 -9.426 3.374 4.235 1.00 1.52 C ATOM 0 H LEU A 35 -10.545 1.351 8.174 1.00 1.38 H new ATOM 0 HA LEU A 35 -8.697 2.581 6.482 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -11.094 1.761 6.037 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -11.664 3.220 6.822 1.00 1.40 H new ATOM 0 HG LEU A 35 -11.541 3.119 4.234 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -11.050 5.534 4.129 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -12.097 5.130 5.511 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -10.367 5.459 5.771 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -9.409 3.911 3.287 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -8.651 3.771 4.891 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -9.242 2.315 4.055 1.00 1.52 H new ATOM 616 N TRP A 36 -10.215 4.806 8.400 1.00 1.37 N ATOM 617 CA TRP A 36 -10.105 6.187 8.899 1.00 1.37 C ATOM 618 C TRP A 36 -8.720 6.486 9.514 1.00 1.32 C ATOM 619 O TRP A 36 -8.281 7.635 9.529 1.00 1.31 O ATOM 620 CB TRP A 36 -11.210 6.486 9.924 1.00 1.45 C ATOM 621 CG TRP A 36 -11.465 5.370 10.890 1.00 1.50 C ATOM 622 CD1 TRP A 36 -12.198 4.242 10.664 1.00 1.55 C ATOM 623 CD2 TRP A 36 -10.996 5.279 12.241 1.00 1.53 C ATOM 624 NE1 TRP A 36 -12.192 3.442 11.778 1.00 1.61 N ATOM 625 CE2 TRP A 36 -11.465 4.058 12.762 1.00 1.60 C ATOM 626 CE3 TRP A 36 -10.222 6.107 13.056 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -11.181 3.645 14.060 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -9.941 5.698 14.346 1.00 1.61 C ATOM 629 CH2 TRP A 36 -10.418 4.475 14.836 1.00 1.66 C ATOM 0 H TRP A 36 -11.025 4.297 8.753 1.00 1.37 H new ATOM 0 HA TRP A 36 -10.227 6.841 8.035 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -10.940 7.382 10.483 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -12.134 6.710 9.391 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -12.709 4.012 9.741 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -12.654 2.536 11.860 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -9.849 7.050 12.685 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -11.549 2.704 14.441 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -9.344 6.331 14.986 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -10.179 4.181 15.847 1.00 1.66 H new ATOM 640 N THR A 37 -8.047 5.446 10.017 1.00 1.32 N ATOM 641 CA THR A 37 -6.714 5.571 10.636 1.00 1.29 C ATOM 642 C THR A 37 -5.602 5.776 9.603 1.00 1.23 C ATOM 643 O THR A 37 -4.829 6.721 9.743 1.00 1.21 O ATOM 644 CB THR A 37 -6.381 4.354 11.516 1.00 1.34 C ATOM 645 OG1 THR A 37 -7.335 4.230 12.547 1.00 1.41 O ATOM 646 CG2 THR A 37 -5.024 4.465 12.215 1.00 1.35 C ATOM 0 H THR A 37 -8.407 4.492 10.009 1.00 1.32 H new ATOM 0 HA THR A 37 -6.761 6.462 11.263 1.00 1.29 H new ATOM 0 HB THR A 37 -6.374 3.500 10.838 1.00 1.34 H new ATOM 0 HG1 THR A 37 -7.994 4.951 12.471 1.00 1.41 H new ATOM 0 HG21 THR A 37 -4.852 3.574 12.819 1.00 1.35 H new ATOM 0 HG22 THR A 37 -4.236 4.554 11.467 1.00 1.35 H new ATOM 0 HG23 THR A 37 -5.016 5.346 12.857 1.00 1.35 H new ATOM 654 N MET A 38 -5.518 4.963 8.538 1.00 1.20 N ATOM 655 CA MET A 38 -4.534 5.223 7.464 1.00 1.15 C ATOM 656 C MET A 38 -4.797 6.560 6.746 1.00 1.13 C ATOM 657 O MET A 38 -3.854 7.223 6.315 1.00 1.11 O ATOM 658 CB MET A 38 -4.410 4.061 6.463 1.00 1.14 C ATOM 659 CG MET A 38 -5.700 3.699 5.723 1.00 1.17 C ATOM 660 SD MET A 38 -5.444 2.888 4.122 1.00 1.17 S ATOM 661 CE MET A 38 -6.376 1.349 4.337 1.00 1.25 C ATOM 0 H MET A 38 -6.102 4.139 8.394 1.00 1.20 H new ATOM 0 HA MET A 38 -3.569 5.303 7.964 1.00 1.15 H new ATOM 0 HB2 MET A 38 -3.647 4.316 5.727 1.00 1.14 H new ATOM 0 HB3 MET A 38 -4.056 3.179 6.997 1.00 1.14 H new ATOM 0 HG2 MET A 38 -6.296 3.043 6.357 1.00 1.17 H new ATOM 0 HG3 MET A 38 -6.282 4.607 5.567 1.00 1.17 H new ATOM 0 HE1 MET A 38 -6.686 0.972 3.362 1.00 1.25 H new ATOM 0 HE2 MET A 38 -5.746 0.608 4.829 1.00 1.25 H new ATOM 0 HE3 MET A 38 -7.257 1.540 4.949 1.00 1.25 H new ATOM 671 N PHE A 39 -6.064 6.983 6.682 1.00 1.17 N ATOM 672 CA PHE A 39 -6.430 8.307 6.185 1.00 1.19 C ATOM 673 C PHE A 39 -5.879 9.429 7.066 1.00 1.20 C ATOM 674 O PHE A 39 -5.073 10.222 6.583 1.00 1.20 O ATOM 675 CB PHE A 39 -7.944 8.429 6.018 1.00 1.25 C ATOM 676 CG PHE A 39 -8.363 9.809 5.540 1.00 1.30 C ATOM 677 CD1 PHE A 39 -7.984 10.250 4.256 1.00 1.30 C ATOM 678 CD2 PHE A 39 -9.084 10.670 6.389 1.00 1.36 C ATOM 679 CE1 PHE A 39 -8.338 11.535 3.816 1.00 1.37 C ATOM 680 CE2 PHE A 39 -9.425 11.963 5.953 1.00 1.43 C ATOM 681 CZ PHE A 39 -9.049 12.397 4.670 1.00 1.44 C ATOM 0 H PHE A 39 -6.860 6.416 6.973 1.00 1.17 H new ATOM 0 HA PHE A 39 -5.968 8.420 5.204 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -8.290 7.680 5.306 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -8.431 8.213 6.969 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -7.419 9.596 3.608 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -9.375 10.338 7.375 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -8.065 11.861 2.823 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -9.977 12.624 6.605 1.00 1.43 H new ATOM 0 HZ PHE A 39 -9.306 13.393 4.340 1.00 1.44 H new ATOM 691 N GLN A 40 -6.241 9.501 8.355 1.00 1.24 N ATOM 692 CA GLN A 40 -5.715 10.581 9.211 1.00 1.27 C ATOM 693 C GLN A 40 -4.182 10.523 9.371 1.00 1.25 C ATOM 694 O GLN A 40 -3.543 11.568 9.499 1.00 1.28 O ATOM 695 CB GLN A 40 -6.457 10.619 10.558 1.00 1.33 C ATOM 696 CG GLN A 40 -6.071 9.470 11.499 1.00 1.33 C ATOM 697 CD GLN A 40 -7.080 9.274 12.623 1.00 1.39 C ATOM 698 OE1 GLN A 40 -6.893 9.690 13.757 1.00 1.44 O ATOM 699 NE2 GLN A 40 -8.181 8.614 12.343 1.00 1.40 N ATOM 0 H GLN A 40 -6.874 8.849 8.819 1.00 1.24 H new ATOM 0 HA GLN A 40 -5.912 11.526 8.705 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -6.250 11.568 11.052 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -7.531 10.583 10.374 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -5.987 8.547 10.925 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -5.089 9.670 11.927 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -8.340 8.265 11.398 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -8.877 8.450 13.071 1.00 1.40 H new ATOM 708 N ALA A 41 -3.574 9.333 9.277 1.00 1.21 N ATOM 709 CA ALA A 41 -2.125 9.176 9.185 1.00 1.20 C ATOM 710 C ALA A 41 -1.562 9.818 7.908 1.00 1.18 C ATOM 711 O ALA A 41 -0.690 10.680 7.995 1.00 1.21 O ATOM 712 CB ALA A 41 -1.771 7.688 9.273 1.00 1.18 C ATOM 0 H ALA A 41 -4.082 8.449 9.263 1.00 1.21 H new ATOM 0 HA ALA A 41 -1.661 9.700 10.021 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -0.690 7.567 9.205 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -2.122 7.286 10.223 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -2.249 7.151 8.454 1.00 1.18 H new ATOM 718 N ALA A 42 -2.096 9.489 6.727 1.00 1.14 N ATOM 719 CA ALA A 42 -1.704 10.125 5.470 1.00 1.14 C ATOM 720 C ALA A 42 -1.892 11.651 5.497 1.00 1.20 C ATOM 721 O ALA A 42 -1.032 12.375 5.013 1.00 1.23 O ATOM 722 CB ALA A 42 -2.478 9.487 4.312 1.00 1.11 C ATOM 0 H ALA A 42 -2.814 8.772 6.618 1.00 1.14 H new ATOM 0 HA ALA A 42 -0.637 9.957 5.325 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -2.186 9.961 3.375 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -2.252 8.422 4.266 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -3.548 9.624 4.470 1.00 1.11 H new ATOM 728 N GLN A 43 -2.964 12.146 6.125 1.00 1.23 N ATOM 729 CA GLN A 43 -3.222 13.588 6.229 1.00 1.31 C ATOM 730 C GLN A 43 -2.220 14.299 7.163 1.00 1.35 C ATOM 731 O GLN A 43 -1.948 15.486 6.975 1.00 1.42 O ATOM 732 CB GLN A 43 -4.675 13.851 6.662 1.00 1.35 C ATOM 733 CG GLN A 43 -5.725 13.409 5.622 1.00 1.35 C ATOM 734 CD GLN A 43 -5.538 14.039 4.238 1.00 1.38 C ATOM 735 OE1 GLN A 43 -5.364 15.240 4.082 1.00 1.45 O ATOM 736 NE2 GLN A 43 -5.546 13.255 3.181 1.00 1.35 N ATOM 0 H GLN A 43 -3.673 11.565 6.572 1.00 1.23 H new ATOM 0 HA GLN A 43 -3.077 14.014 5.236 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -4.865 13.329 7.600 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -4.798 14.916 6.859 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -5.689 12.324 5.523 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -6.718 13.662 5.994 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -5.690 12.251 3.292 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -5.409 13.651 2.251 1.00 1.35 H new ATOM 745 N LYS A 44 -1.616 13.560 8.105 1.00 1.33 N ATOM 746 CA LYS A 44 -0.511 14.081 8.928 1.00 1.39 C ATOM 747 C LYS A 44 0.807 14.048 8.152 1.00 1.39 C ATOM 748 O LYS A 44 1.515 15.053 8.095 1.00 1.45 O ATOM 749 CB LYS A 44 -0.441 13.266 10.230 1.00 1.39 C ATOM 750 CG LYS A 44 0.510 13.890 11.260 1.00 1.47 C ATOM 751 CD LYS A 44 0.678 13.020 12.514 1.00 1.49 C ATOM 752 CE LYS A 44 -0.661 12.702 13.195 1.00 1.49 C ATOM 753 NZ LYS A 44 -0.447 12.005 14.489 1.00 1.53 N ATOM 0 H LYS A 44 -1.874 12.596 8.317 1.00 1.33 H new ATOM 0 HA LYS A 44 -0.692 15.126 9.181 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -1.439 13.189 10.661 1.00 1.39 H new ATOM 0 HB3 LYS A 44 -0.112 12.252 10.003 1.00 1.39 H new ATOM 0 HG2 LYS A 44 1.485 14.048 10.799 1.00 1.47 H new ATOM 0 HG3 LYS A 44 0.132 14.870 11.551 1.00 1.47 H new ATOM 0 HD2 LYS A 44 1.173 12.088 12.242 1.00 1.49 H new ATOM 0 HD3 LYS A 44 1.329 13.532 13.222 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -1.216 13.625 13.362 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -1.268 12.079 12.538 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -1.328 11.536 14.780 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 0.304 11.294 14.380 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 -0.167 12.696 15.214 1.00 1.53 H new ATOM 767 N LEU A 45 1.076 12.920 7.492 1.00 1.32 N ATOM 768 CA LEU A 45 2.226 12.781 6.589 1.00 1.32 C ATOM 769 C LEU A 45 2.078 13.543 5.231 1.00 1.34 C ATOM 770 O LEU A 45 2.889 13.331 4.326 1.00 1.34 O ATOM 771 CB LEU A 45 2.592 11.271 6.452 1.00 1.27 C ATOM 772 CG LEU A 45 3.249 10.528 7.655 1.00 1.30 C ATOM 773 CD1 LEU A 45 4.379 11.341 8.291 1.00 1.39 C ATOM 774 CD2 LEU A 45 2.283 10.130 8.768 1.00 1.29 C ATOM 0 H LEU A 45 0.506 12.077 7.566 1.00 1.32 H new ATOM 0 HA LEU A 45 3.076 13.292 7.040 1.00 1.32 H new ATOM 0 HB2 LEU A 45 1.678 10.735 6.197 1.00 1.27 H new ATOM 0 HB3 LEU A 45 3.266 11.174 5.601 1.00 1.27 H new ATOM 0 HG LEU A 45 3.635 9.616 7.199 1.00 1.30 H new ATOM 0 HD11 LEU A 45 4.805 10.782 9.124 1.00 1.39 H new ATOM 0 HD12 LEU A 45 5.153 11.531 7.548 1.00 1.39 H new ATOM 0 HD13 LEU A 45 3.984 12.290 8.655 1.00 1.39 H new ATOM 0 HD21 LEU A 45 2.831 9.620 9.560 1.00 1.29 H new ATOM 0 HD22 LEU A 45 1.807 11.023 9.173 1.00 1.29 H new ATOM 0 HD23 LEU A 45 1.520 9.463 8.366 1.00 1.29 H new ATOM 786 N GLY A 46 1.092 14.450 5.089 1.00 1.36 N ATOM 787 CA GLY A 46 1.061 15.402 3.944 1.00 1.42 C ATOM 788 C GLY A 46 0.069 15.108 2.799 1.00 1.40 C ATOM 789 O GLY A 46 0.272 15.534 1.658 1.00 1.44 O ATOM 0 H GLY A 46 0.313 14.549 5.740 1.00 1.36 H new ATOM 0 HA2 GLY A 46 0.836 16.394 4.337 1.00 1.42 H new ATOM 0 HA3 GLY A 46 2.063 15.448 3.517 1.00 1.42 H new ATOM 793 N GLY A 47 -0.992 14.376 3.128 1.00 1.34 N ATOM 794 CA GLY A 47 -1.925 13.814 2.154 1.00 1.32 C ATOM 795 C GLY A 47 -1.277 12.842 1.164 1.00 1.28 C ATOM 796 O GLY A 47 -0.053 12.697 1.091 1.00 1.27 O ATOM 0 H GLY A 47 -1.232 14.153 4.094 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -2.723 13.297 2.686 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -2.389 14.629 1.598 1.00 1.32 H new ATOM 800 N TYR A 48 -2.118 12.207 0.345 1.00 1.27 N ATOM 801 CA TYR A 48 -1.647 11.390 -0.784 1.00 1.26 C ATOM 802 C TYR A 48 -0.674 12.134 -1.726 1.00 1.32 C ATOM 803 O TYR A 48 0.118 11.501 -2.428 1.00 1.31 O ATOM 804 CB TYR A 48 -2.862 10.861 -1.552 1.00 1.28 C ATOM 805 CG TYR A 48 -2.554 9.717 -2.502 1.00 1.26 C ATOM 806 CD1 TYR A 48 -2.434 8.406 -2.002 1.00 1.20 C ATOM 807 CD2 TYR A 48 -2.398 9.957 -3.881 1.00 1.33 C ATOM 808 CE1 TYR A 48 -2.196 7.330 -2.877 1.00 1.21 C ATOM 809 CE2 TYR A 48 -2.140 8.887 -4.758 1.00 1.33 C ATOM 810 CZ TYR A 48 -2.050 7.570 -4.260 1.00 1.27 C ATOM 811 OH TYR A 48 -1.828 6.541 -5.120 1.00 1.29 O ATOM 0 H TYR A 48 -3.133 12.241 0.440 1.00 1.27 H new ATOM 0 HA TYR A 48 -1.068 10.563 -0.373 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -3.614 10.530 -0.835 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -3.302 11.680 -2.120 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -2.525 8.225 -0.941 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -2.476 10.963 -4.266 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -2.125 6.324 -2.491 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -2.011 9.074 -5.814 1.00 1.33 H new ATOM 0 HH TYR A 48 -1.754 6.888 -6.033 1.00 1.29 H new ATOM 821 N GLU A 49 -0.685 13.472 -1.735 1.00 1.39 N ATOM 822 CA GLU A 49 0.156 14.255 -2.653 1.00 1.47 C ATOM 823 C GLU A 49 1.619 14.322 -2.205 1.00 1.46 C ATOM 824 O GLU A 49 2.512 14.024 -3.003 1.00 1.48 O ATOM 825 CB GLU A 49 -0.431 15.662 -2.822 1.00 1.57 C ATOM 826 CG GLU A 49 -1.671 15.618 -3.723 1.00 1.61 C ATOM 827 CD GLU A 49 -2.412 16.961 -3.728 1.00 1.71 C ATOM 828 OE1 GLU A 49 -1.914 17.947 -4.326 1.00 1.80 O ATOM 829 OE2 GLU A 49 -3.519 17.022 -3.142 1.00 1.72 O ATOM 0 H GLU A 49 -1.267 14.037 -1.117 1.00 1.39 H new ATOM 0 HA GLU A 49 0.155 13.743 -3.616 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -0.696 16.072 -1.847 1.00 1.57 H new ATOM 0 HB3 GLU A 49 0.318 16.326 -3.254 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -1.374 15.362 -4.740 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -2.343 14.832 -3.380 1.00 1.61 H new ATOM 836 N THR A 50 1.894 14.620 -0.926 1.00 1.44 N ATOM 837 CA THR A 50 3.252 14.489 -0.370 1.00 1.45 C ATOM 838 C THR A 50 3.691 13.026 -0.380 1.00 1.37 C ATOM 839 O THR A 50 4.840 12.728 -0.701 1.00 1.40 O ATOM 840 CB THR A 50 3.367 15.054 1.054 1.00 1.46 C ATOM 841 OG1 THR A 50 2.954 16.405 1.073 1.00 1.54 O ATOM 842 CG2 THR A 50 4.800 15.039 1.590 1.00 1.50 C ATOM 0 H THR A 50 1.198 14.952 -0.259 1.00 1.44 H new ATOM 0 HA THR A 50 3.910 15.078 -1.009 1.00 1.45 H new ATOM 0 HB THR A 50 2.739 14.416 1.675 1.00 1.46 H new ATOM 0 HG1 THR A 50 1.994 16.451 1.264 1.00 1.54 H new ATOM 0 HG21 THR A 50 4.815 15.450 2.599 1.00 1.50 H new ATOM 0 HG22 THR A 50 5.170 14.014 1.610 1.00 1.50 H new ATOM 0 HG23 THR A 50 5.437 15.642 0.943 1.00 1.50 H new ATOM 850 N ILE A 51 2.761 12.100 -0.120 1.00 1.30 N ATOM 851 CA ILE A 51 3.025 10.659 -0.235 1.00 1.24 C ATOM 852 C ILE A 51 3.531 10.272 -1.635 1.00 1.27 C ATOM 853 O ILE A 51 4.517 9.546 -1.745 1.00 1.27 O ATOM 854 CB ILE A 51 1.763 9.879 0.219 1.00 1.18 C ATOM 855 CG1 ILE A 51 1.912 9.347 1.656 1.00 1.14 C ATOM 856 CG2 ILE A 51 1.362 8.723 -0.704 1.00 1.15 C ATOM 857 CD1 ILE A 51 1.854 10.456 2.716 1.00 1.17 C ATOM 0 H ILE A 51 1.811 12.325 0.174 1.00 1.30 H new ATOM 0 HA ILE A 51 3.843 10.380 0.429 1.00 1.24 H new ATOM 0 HB ILE A 51 0.962 10.617 0.171 1.00 1.18 H new ATOM 0 HG12 ILE A 51 1.122 8.622 1.853 1.00 1.14 H new ATOM 0 HG13 ILE A 51 2.860 8.817 1.745 1.00 1.14 H new ATOM 0 HG21 ILE A 51 0.471 8.235 -0.310 1.00 1.15 H new ATOM 0 HG22 ILE A 51 1.153 9.110 -1.701 1.00 1.15 H new ATOM 0 HG23 ILE A 51 2.177 8.001 -0.758 1.00 1.15 H new ATOM 0 HD11 ILE A 51 1.965 10.018 3.708 1.00 1.17 H new ATOM 0 HD12 ILE A 51 2.661 11.168 2.542 1.00 1.17 H new ATOM 0 HD13 ILE A 51 0.895 10.971 2.652 1.00 1.17 H new ATOM 869 N THR A 52 2.904 10.776 -2.695 1.00 1.30 N ATOM 870 CA THR A 52 3.323 10.471 -4.076 1.00 1.35 C ATOM 871 C THR A 52 4.616 11.190 -4.455 1.00 1.42 C ATOM 872 O THR A 52 5.471 10.599 -5.120 1.00 1.45 O ATOM 873 CB THR A 52 2.196 10.811 -5.062 1.00 1.39 C ATOM 874 OG1 THR A 52 1.080 10.008 -4.744 1.00 1.34 O ATOM 875 CG2 THR A 52 2.537 10.496 -6.519 1.00 1.45 C ATOM 0 H THR A 52 2.100 11.401 -2.632 1.00 1.30 H new ATOM 0 HA THR A 52 3.527 9.402 -4.131 1.00 1.35 H new ATOM 0 HB THR A 52 2.017 11.882 -4.970 1.00 1.39 H new ATOM 0 HG1 THR A 52 0.624 10.378 -3.959 1.00 1.34 H new ATOM 0 HG21 THR A 52 1.694 10.763 -7.156 1.00 1.45 H new ATOM 0 HG22 THR A 52 3.414 11.069 -6.820 1.00 1.45 H new ATOM 0 HG23 THR A 52 2.747 9.431 -6.622 1.00 1.45 H new ATOM 883 N ALA A 53 4.808 12.421 -3.976 1.00 1.47 N ATOM 884 CA ALA A 53 6.049 13.163 -4.189 1.00 1.55 C ATOM 885 C ALA A 53 7.266 12.587 -3.430 1.00 1.54 C ATOM 886 O ALA A 53 8.400 12.847 -3.847 1.00 1.61 O ATOM 887 CB ALA A 53 5.798 14.623 -3.790 1.00 1.61 C ATOM 0 H ALA A 53 4.110 12.928 -3.432 1.00 1.47 H new ATOM 0 HA ALA A 53 6.314 13.079 -5.243 1.00 1.55 H new ATOM 0 HB1 ALA A 53 6.709 15.203 -3.939 1.00 1.61 H new ATOM 0 HB2 ALA A 53 5.000 15.037 -4.407 1.00 1.61 H new ATOM 0 HB3 ALA A 53 5.506 14.668 -2.741 1.00 1.61 H new ATOM 893 N ARG A 54 7.054 11.820 -2.342 1.00 1.47 N ATOM 894 CA ARG A 54 8.163 11.432 -1.433 1.00 1.49 C ATOM 895 C ARG A 54 8.242 9.945 -1.045 1.00 1.44 C ATOM 896 O ARG A 54 9.216 9.555 -0.404 1.00 1.48 O ATOM 897 CB ARG A 54 8.073 12.277 -0.144 1.00 1.51 C ATOM 898 CG ARG A 54 8.181 13.804 -0.319 1.00 1.59 C ATOM 899 CD ARG A 54 9.540 14.281 -0.857 1.00 1.68 C ATOM 900 NE ARG A 54 10.667 13.901 0.022 1.00 1.72 N ATOM 901 CZ ARG A 54 11.059 14.500 1.133 1.00 1.77 C ATOM 902 NH1 ARG A 54 10.464 15.561 1.604 1.00 1.79 N ATOM 903 NH2 ARG A 54 12.075 14.039 1.803 1.00 1.82 N ATOM 0 H ARG A 54 6.140 11.459 -2.069 1.00 1.47 H new ATOM 0 HA ARG A 54 9.071 11.622 -2.005 1.00 1.49 H new ATOM 0 HB2 ARG A 54 7.124 12.055 0.345 1.00 1.51 H new ATOM 0 HB3 ARG A 54 8.864 11.954 0.533 1.00 1.51 H new ATOM 0 HG2 ARG A 54 7.396 14.137 -0.998 1.00 1.59 H new ATOM 0 HG3 ARG A 54 7.995 14.283 0.642 1.00 1.59 H new ATOM 0 HD2 ARG A 54 9.701 13.861 -1.850 1.00 1.68 H new ATOM 0 HD3 ARG A 54 9.522 15.365 -0.969 1.00 1.68 H new ATOM 0 HE ARG A 54 11.204 13.082 -0.262 1.00 1.72 H new ATOM 0 HH11 ARG A 54 9.664 15.958 1.111 1.00 1.79 H new ATOM 0 HH12 ARG A 54 10.798 15.993 2.465 1.00 1.79 H new ATOM 0 HH21 ARG A 54 12.572 13.212 1.471 1.00 1.82 H new ATOM 0 HH22 ARG A 54 12.374 14.504 2.660 1.00 1.82 H new ATOM 917 N ARG A 55 7.253 9.115 -1.416 1.00 1.37 N ATOM 918 CA ARG A 55 7.072 7.725 -0.926 1.00 1.32 C ATOM 919 C ARG A 55 7.089 7.704 0.607 1.00 1.31 C ATOM 920 O ARG A 55 7.869 7.016 1.264 1.00 1.35 O ATOM 921 CB ARG A 55 8.046 6.745 -1.623 1.00 1.37 C ATOM 922 CG ARG A 55 8.162 6.940 -3.151 1.00 1.40 C ATOM 923 CD ARG A 55 6.831 6.848 -3.920 1.00 1.35 C ATOM 924 NE ARG A 55 6.712 7.908 -4.944 1.00 1.40 N ATOM 925 CZ ARG A 55 7.212 7.924 -6.164 1.00 1.46 C ATOM 926 NH1 ARG A 55 7.907 6.938 -6.656 1.00 1.49 N ATOM 927 NH2 ARG A 55 7.012 8.968 -6.913 1.00 1.51 N ATOM 0 H ARG A 55 6.534 9.394 -2.083 1.00 1.37 H new ATOM 0 HA ARG A 55 6.088 7.352 -1.209 1.00 1.32 H new ATOM 0 HB2 ARG A 55 9.035 6.857 -1.179 1.00 1.37 H new ATOM 0 HB3 ARG A 55 7.720 5.724 -1.423 1.00 1.37 H new ATOM 0 HG2 ARG A 55 8.610 7.914 -3.345 1.00 1.40 H new ATOM 0 HG3 ARG A 55 8.846 6.190 -3.547 1.00 1.40 H new ATOM 0 HD2 ARG A 55 6.754 5.871 -4.398 1.00 1.35 H new ATOM 0 HD3 ARG A 55 6.000 6.926 -3.219 1.00 1.35 H new ATOM 0 HE ARG A 55 6.175 8.731 -4.672 1.00 1.40 H new ATOM 0 HH11 ARG A 55 8.085 6.107 -6.091 1.00 1.49 H new ATOM 0 HH12 ARG A 55 8.273 6.997 -7.606 1.00 1.49 H new ATOM 0 HH21 ARG A 55 6.475 9.758 -6.554 1.00 1.51 H new ATOM 0 HH22 ARG A 55 7.392 8.997 -7.859 1.00 1.51 H new ATOM 941 N GLN A 56 6.181 8.523 1.145 1.00 1.28 N ATOM 942 CA GLN A 56 6.119 8.788 2.587 1.00 1.29 C ATOM 943 C GLN A 56 5.338 7.705 3.364 1.00 1.24 C ATOM 944 O GLN A 56 5.236 7.800 4.585 1.00 1.25 O ATOM 945 CB GLN A 56 5.553 10.201 2.842 1.00 1.30 C ATOM 946 CG GLN A 56 6.223 10.942 4.015 1.00 1.37 C ATOM 947 CD GLN A 56 7.485 11.699 3.594 1.00 1.46 C ATOM 948 OE1 GLN A 56 8.675 11.225 3.890 1.00 1.49 O flip ATOM 949 NE2 GLN A 56 7.421 12.758 2.984 1.00 1.51 N flip ATOM 0 H GLN A 56 5.474 9.017 0.600 1.00 1.28 H new ATOM 0 HA GLN A 56 7.138 8.746 2.973 1.00 1.29 H new ATOM 0 HB2 GLN A 56 5.668 10.796 1.936 1.00 1.30 H new ATOM 0 HB3 GLN A 56 4.484 10.123 3.038 1.00 1.30 H new ATOM 0 HG2 GLN A 56 5.511 11.644 4.449 1.00 1.37 H new ATOM 0 HG3 GLN A 56 6.478 10.224 4.794 1.00 1.37 H new ATOM 0 HE21 GLN A 56 6.512 13.152 2.740 1.00 1.51 H new ATOM 0 HE22 GLN A 56 8.276 13.247 2.720 1.00 1.51 H new ATOM 958 N TRP A 57 4.825 6.652 2.704 1.00 1.19 N ATOM 959 CA TRP A 57 4.171 5.511 3.366 1.00 1.17 C ATOM 960 C TRP A 57 5.037 4.852 4.442 1.00 1.24 C ATOM 961 O TRP A 57 4.504 4.420 5.459 1.00 1.24 O ATOM 962 CB TRP A 57 3.704 4.455 2.357 1.00 1.15 C ATOM 963 CG TRP A 57 2.542 4.867 1.524 1.00 1.11 C ATOM 964 CD1 TRP A 57 2.598 5.352 0.266 1.00 1.11 C ATOM 965 CD2 TRP A 57 1.132 4.836 1.891 1.00 1.07 C ATOM 966 NE1 TRP A 57 1.320 5.649 -0.158 1.00 1.09 N ATOM 967 CE2 TRP A 57 0.376 5.367 0.805 1.00 1.07 C ATOM 968 CE3 TRP A 57 0.416 4.429 3.036 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -1.017 5.518 0.865 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -0.980 4.559 3.104 1.00 1.06 C ATOM 971 CH2 TRP A 57 -1.692 5.107 2.026 1.00 1.06 C ATOM 0 H TRP A 57 4.853 6.569 1.688 1.00 1.19 H new ATOM 0 HA TRP A 57 3.300 5.936 3.865 1.00 1.17 H new ATOM 0 HB2 TRP A 57 4.537 4.207 1.699 1.00 1.15 H new ATOM 0 HB3 TRP A 57 3.443 3.545 2.897 1.00 1.15 H new ATOM 0 HD1 TRP A 57 3.499 5.486 -0.315 1.00 1.11 H new ATOM 0 HE1 TRP A 57 1.099 6.033 -1.077 1.00 1.09 H new ATOM 0 HE3 TRP A 57 0.951 4.010 3.875 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -1.561 5.942 0.034 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -1.508 4.236 3.989 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -2.765 5.213 2.090 1.00 1.06 H new ATOM 982 N LYS A 58 6.364 4.877 4.288 1.00 1.32 N ATOM 983 CA LYS A 58 7.250 4.334 5.323 1.00 1.42 C ATOM 984 C LYS A 58 7.038 5.113 6.639 1.00 1.43 C ATOM 985 O LYS A 58 7.170 4.562 7.732 1.00 1.51 O ATOM 986 CB LYS A 58 8.727 4.410 4.885 1.00 1.54 C ATOM 987 CG LYS A 58 9.726 4.349 6.041 1.00 1.98 C ATOM 988 CD LYS A 58 10.490 3.027 6.093 1.00 2.07 C ATOM 989 CE LYS A 58 11.843 3.127 5.391 1.00 2.58 C ATOM 990 NZ LYS A 58 12.868 2.221 5.991 1.00 2.89 N ATOM 0 H LYS A 58 6.842 5.260 3.473 1.00 1.32 H new ATOM 0 HA LYS A 58 7.004 3.284 5.479 1.00 1.42 H new ATOM 0 HB2 LYS A 58 8.933 3.590 4.197 1.00 1.54 H new ATOM 0 HB3 LYS A 58 8.884 5.336 4.332 1.00 1.54 H new ATOM 0 HG2 LYS A 58 10.436 5.170 5.945 1.00 1.98 H new ATOM 0 HG3 LYS A 58 9.195 4.494 6.982 1.00 1.98 H new ATOM 0 HD2 LYS A 58 10.640 2.734 7.132 1.00 2.07 H new ATOM 0 HD3 LYS A 58 9.894 2.244 5.624 1.00 2.07 H new ATOM 0 HE2 LYS A 58 11.720 2.883 4.336 1.00 2.58 H new ATOM 0 HE3 LYS A 58 12.199 4.156 5.440 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 13.429 1.782 5.233 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 13.495 2.770 6.613 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 12.394 1.479 6.545 1.00 2.89 H new ATOM 1004 N HIS A 59 6.698 6.404 6.509 1.00 1.39 N ATOM 1005 CA HIS A 59 6.444 7.283 7.659 1.00 1.40 C ATOM 1006 C HIS A 59 5.054 7.019 8.270 1.00 1.32 C ATOM 1007 O HIS A 59 4.866 7.155 9.475 1.00 1.35 O ATOM 1008 CB HIS A 59 6.629 8.746 7.260 1.00 1.43 C ATOM 1009 CG HIS A 59 8.027 9.059 6.799 1.00 1.58 C ATOM 1010 ND1 HIS A 59 8.745 8.587 5.745 1.00 1.81 N flip ATOM 1011 CD2 HIS A 59 8.854 9.951 7.447 1.00 1.59 C flip ATOM 1012 CE1 HIS A 59 9.975 9.197 5.781 1.00 1.93 C flip ATOM 1013 NE2 HIS A 59 10.014 10.017 6.816 1.00 1.79 N flip ATOM 0 H HIS A 59 6.592 6.867 5.606 1.00 1.39 H new ATOM 0 HA HIS A 59 7.174 7.057 8.436 1.00 1.40 H new ATOM 0 HB2 HIS A 59 5.927 8.991 6.463 1.00 1.43 H new ATOM 0 HB3 HIS A 59 6.382 9.382 8.110 1.00 1.43 H new ATOM 0 HD2 HIS A 59 8.594 10.510 8.334 1.00 1.59 H new ATOM 0 HE1 HIS A 59 10.779 9.033 5.078 1.00 1.93 H new ATOM 0 HE2 HIS A 59 10.805 10.602 7.083 1.00 1.79 H new ATOM 1022 N ILE A 60 4.072 6.714 7.416 1.00 1.23 N ATOM 1023 CA ILE A 60 2.734 6.299 7.864 1.00 1.20 C ATOM 1024 C ILE A 60 2.914 5.018 8.673 1.00 1.27 C ATOM 1025 O ILE A 60 2.396 4.951 9.776 1.00 1.33 O ATOM 1026 CB ILE A 60 1.731 6.145 6.700 1.00 1.15 C ATOM 1027 CG1 ILE A 60 1.386 7.554 6.167 1.00 1.14 C ATOM 1028 CG2 ILE A 60 0.459 5.398 7.157 1.00 1.18 C ATOM 1029 CD1 ILE A 60 0.561 7.554 4.878 1.00 1.14 C ATOM 0 H ILE A 60 4.178 6.747 6.402 1.00 1.23 H new ATOM 0 HA ILE A 60 2.288 7.074 8.487 1.00 1.20 H new ATOM 0 HB ILE A 60 2.179 5.550 5.905 1.00 1.15 H new ATOM 0 HG12 ILE A 60 0.837 8.096 6.936 1.00 1.14 H new ATOM 0 HG13 ILE A 60 2.313 8.101 5.992 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -0.229 5.304 6.317 1.00 1.18 H new ATOM 0 HG22 ILE A 60 0.730 4.405 7.517 1.00 1.18 H new ATOM 0 HG23 ILE A 60 -0.022 5.957 7.960 1.00 1.18 H new ATOM 0 HD11 ILE A 60 0.363 8.581 4.573 1.00 1.14 H new ATOM 0 HD12 ILE A 60 1.115 7.042 4.091 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -0.384 7.038 5.051 1.00 1.14 H new ATOM 1041 N TYR A 61 3.738 4.068 8.215 1.00 1.31 N ATOM 1042 CA TYR A 61 4.174 2.904 9.000 1.00 1.43 C ATOM 1043 C TYR A 61 4.781 3.298 10.367 1.00 1.53 C ATOM 1044 O TYR A 61 4.614 2.583 11.357 1.00 1.64 O ATOM 1045 CB TYR A 61 5.159 2.082 8.154 1.00 1.46 C ATOM 1046 CG TYR A 61 5.852 0.934 8.863 1.00 1.62 C ATOM 1047 CD1 TYR A 61 5.202 -0.307 9.022 1.00 1.68 C ATOM 1048 CD2 TYR A 61 7.171 1.102 9.329 1.00 1.73 C ATOM 1049 CE1 TYR A 61 5.870 -1.381 9.644 1.00 1.84 C ATOM 1050 CE2 TYR A 61 7.842 0.030 9.950 1.00 1.89 C ATOM 1051 CZ TYR A 61 7.195 -1.213 10.107 1.00 1.94 C ATOM 1052 OH TYR A 61 7.867 -2.242 10.694 1.00 2.11 O ATOM 0 H TYR A 61 4.128 4.086 7.273 1.00 1.31 H new ATOM 0 HA TYR A 61 3.300 2.297 9.238 1.00 1.43 H new ATOM 0 HB2 TYR A 61 4.621 1.680 7.295 1.00 1.46 H new ATOM 0 HB3 TYR A 61 5.922 2.756 7.765 1.00 1.46 H new ATOM 0 HD1 TYR A 61 4.190 -0.435 8.666 1.00 1.68 H new ATOM 0 HD2 TYR A 61 7.668 2.053 9.210 1.00 1.73 H new ATOM 0 HE1 TYR A 61 5.370 -2.331 9.767 1.00 1.84 H new ATOM 0 HE2 TYR A 61 8.853 0.160 10.306 1.00 1.89 H new ATOM 0 HH TYR A 61 7.621 -3.084 10.258 1.00 2.11 H new ATOM 1062 N ASP A 62 5.420 4.472 10.415 1.00 1.52 N ATOM 1063 CA ASP A 62 5.915 5.047 11.676 1.00 1.62 C ATOM 1064 C ASP A 62 4.765 5.449 12.617 1.00 1.61 C ATOM 1065 O ASP A 62 4.724 5.001 13.765 1.00 1.72 O ATOM 1066 CB ASP A 62 6.928 6.181 11.460 1.00 1.65 C ATOM 1067 CG ASP A 62 7.662 6.514 12.768 1.00 1.79 C ATOM 1068 OD1 ASP A 62 8.581 5.754 13.159 1.00 1.92 O ATOM 1069 OD2 ASP A 62 7.336 7.544 13.407 1.00 1.79 O ATOM 0 H ASP A 62 5.608 5.046 9.593 1.00 1.52 H new ATOM 0 HA ASP A 62 6.467 4.254 12.179 1.00 1.62 H new ATOM 0 HB2 ASP A 62 7.650 5.889 10.697 1.00 1.65 H new ATOM 0 HB3 ASP A 62 6.414 7.068 11.090 1.00 1.65 H new ATOM 1074 N GLU A 63 3.783 6.209 12.122 1.00 1.50 N ATOM 1075 CA GLU A 63 2.557 6.506 12.886 1.00 1.50 C ATOM 1076 C GLU A 63 1.701 5.259 13.226 1.00 1.56 C ATOM 1077 O GLU A 63 1.140 5.187 14.322 1.00 1.66 O ATOM 1078 CB GLU A 63 1.742 7.557 12.116 1.00 1.41 C ATOM 1079 CG GLU A 63 0.458 8.019 12.824 1.00 1.44 C ATOM 1080 CD GLU A 63 0.690 8.645 14.210 1.00 1.53 C ATOM 1081 OE1 GLU A 63 1.600 9.495 14.359 1.00 1.53 O ATOM 1082 OE2 GLU A 63 -0.100 8.380 15.147 1.00 1.61 O ATOM 0 H GLU A 63 3.809 6.633 11.194 1.00 1.50 H new ATOM 0 HA GLU A 63 2.862 6.897 13.857 1.00 1.50 H new ATOM 0 HB2 GLU A 63 2.374 8.426 11.935 1.00 1.41 H new ATOM 0 HB3 GLU A 63 1.476 7.148 11.141 1.00 1.41 H new ATOM 0 HG2 GLU A 63 -0.051 8.746 12.191 1.00 1.44 H new ATOM 0 HG3 GLU A 63 -0.211 7.165 12.931 1.00 1.44 H new ATOM 1089 N LEU A 64 1.626 4.252 12.340 1.00 1.54 N ATOM 1090 CA LEU A 64 0.970 2.958 12.600 1.00 1.64 C ATOM 1091 C LEU A 64 1.662 2.169 13.729 1.00 1.79 C ATOM 1092 O LEU A 64 1.022 1.336 14.375 1.00 1.90 O ATOM 1093 CB LEU A 64 0.941 2.065 11.332 1.00 1.59 C ATOM 1094 CG LEU A 64 0.138 2.574 10.122 1.00 1.48 C ATOM 1095 CD1 LEU A 64 0.214 1.561 8.979 1.00 1.46 C ATOM 1096 CD2 LEU A 64 -1.332 2.845 10.451 1.00 1.53 C ATOM 0 H LEU A 64 2.027 4.315 11.404 1.00 1.54 H new ATOM 0 HA LEU A 64 -0.048 3.202 12.904 1.00 1.64 H new ATOM 0 HB2 LEU A 64 1.970 1.905 11.010 1.00 1.59 H new ATOM 0 HB3 LEU A 64 0.541 1.091 11.615 1.00 1.59 H new ATOM 0 HG LEU A 64 0.589 3.521 9.827 1.00 1.48 H new ATOM 0 HD11 LEU A 64 -0.357 1.930 8.127 1.00 1.46 H new ATOM 0 HD12 LEU A 64 1.254 1.421 8.685 1.00 1.46 H new ATOM 0 HD13 LEU A 64 -0.201 0.608 9.309 1.00 1.46 H new ATOM 0 HD21 LEU A 64 -1.845 3.201 9.558 1.00 1.53 H new ATOM 0 HD22 LEU A 64 -1.803 1.925 10.797 1.00 1.53 H new ATOM 0 HD23 LEU A 64 -1.396 3.602 11.233 1.00 1.53 H new ATOM 1108 N GLY A 65 2.946 2.024 13.632 1.00 1.82 N ATOM 1109 CA GLY A 65 3.602 1.235 14.644 1.00 2.01 C ATOM 1110 C GLY A 65 4.786 0.503 14.055 1.00 2.12 C ATOM 1111 O GLY A 65 5.092 0.673 12.884 1.00 1.99 O ATOM 0 H GLY A 65 3.543 2.417 12.904 1.00 1.82 H new ATOM 0 HA2 GLY A 65 3.933 1.879 15.459 1.00 2.01 H new ATOM 0 HA3 GLY A 65 2.898 0.519 15.069 1.00 2.01 H new ATOM 1115 N GLY A 66 5.415 -0.366 14.819 1.00 2.43 N ATOM 1116 CA GLY A 66 6.489 -1.159 14.245 1.00 2.61 C ATOM 1117 C GLY A 66 6.047 -2.597 13.908 1.00 2.81 C ATOM 1118 O GLY A 66 5.294 -3.208 14.662 1.00 3.02 O ATOM 0 H GLY A 66 5.214 -0.540 15.804 1.00 2.43 H new ATOM 0 HA2 GLY A 66 6.851 -0.672 13.340 1.00 2.61 H new ATOM 0 HA3 GLY A 66 7.324 -1.194 14.944 1.00 2.61 H new ATOM 1122 N ASN A 67 6.534 -3.139 12.785 1.00 2.79 N ATOM 1123 CA ASN A 67 6.231 -4.525 12.356 1.00 3.02 C ATOM 1124 C ASN A 67 7.547 -5.243 11.977 1.00 3.12 C ATOM 1125 O ASN A 67 8.062 -5.069 10.870 1.00 2.83 O ATOM 1126 CB ASN A 67 5.242 -4.541 11.166 1.00 2.85 C ATOM 1127 CG ASN A 67 4.748 -5.939 10.782 1.00 3.14 C ATOM 1128 OD1 ASN A 67 5.347 -6.950 11.144 1.00 3.57 O ATOM 1129 ND2 ASN A 67 3.652 -6.003 10.029 1.00 3.34 N ATOM 0 H ASN A 67 7.148 -2.637 12.144 1.00 2.79 H new ATOM 0 HA ASN A 67 5.755 -5.051 13.184 1.00 3.02 H new ATOM 0 HB2 ASN A 67 4.382 -3.919 11.414 1.00 2.85 H new ATOM 0 HB3 ASN A 67 5.725 -4.087 10.300 1.00 2.85 H new ATOM 0 HD21 ASN A 67 3.287 -6.909 9.736 1.00 3.34 H new ATOM 0 HD22 ASN A 67 3.178 -5.146 9.745 1.00 3.34 H new ATOM 1136 N PRO A 68 8.100 -6.063 12.904 1.00 3.59 N ATOM 1137 CA PRO A 68 9.379 -6.792 12.714 1.00 3.82 C ATOM 1138 C PRO A 68 9.485 -7.672 11.452 1.00 3.69 C ATOM 1139 O PRO A 68 8.603 -8.487 11.169 1.00 3.80 O ATOM 1140 CB PRO A 68 9.487 -7.691 13.962 1.00 4.46 C ATOM 1141 CG PRO A 68 8.186 -7.583 14.689 1.00 4.52 C ATOM 1142 CD PRO A 68 7.527 -6.312 14.237 1.00 3.98 C ATOM 0 HA PRO A 68 10.177 -6.061 12.583 1.00 3.82 H new ATOM 0 HB2 PRO A 68 9.686 -8.724 13.677 1.00 4.46 H new ATOM 0 HB3 PRO A 68 10.312 -7.371 14.598 1.00 4.46 H new ATOM 0 HG2 PRO A 68 7.552 -8.443 14.472 1.00 4.52 H new ATOM 0 HG3 PRO A 68 8.348 -7.570 15.767 1.00 4.52 H new ATOM 0 HD2 PRO A 68 6.443 -6.420 14.191 1.00 3.98 H new ATOM 0 HD3 PRO A 68 7.737 -5.489 14.921 1.00 3.98 H new ATOM 1150 N GLY A 69 10.585 -7.484 10.698 1.00 3.53 N ATOM 1151 CA GLY A 69 10.860 -8.298 9.512 1.00 3.44 C ATOM 1152 C GLY A 69 10.360 -7.735 8.193 1.00 2.86 C ATOM 1153 O GLY A 69 10.692 -8.271 7.130 1.00 2.82 O ATOM 0 H GLY A 69 11.292 -6.776 10.894 1.00 3.53 H new ATOM 0 HA2 GLY A 69 11.937 -8.445 9.437 1.00 3.44 H new ATOM 0 HA3 GLY A 69 10.413 -9.282 9.658 1.00 3.44 H new ATOM 1157 N SER A 70 9.586 -6.662 8.230 1.00 2.44 N ATOM 1158 CA SER A 70 9.043 -6.095 6.997 1.00 2.00 C ATOM 1159 C SER A 70 9.537 -4.672 6.734 1.00 1.53 C ATOM 1160 O SER A 70 9.397 -3.784 7.579 1.00 1.46 O ATOM 1161 CB SER A 70 7.516 -6.125 7.054 1.00 2.18 C ATOM 1162 OG SER A 70 7.040 -7.457 7.148 1.00 2.80 O ATOM 0 H SER A 70 9.320 -6.170 9.083 1.00 2.44 H new ATOM 0 HA SER A 70 9.399 -6.707 6.168 1.00 2.00 H new ATOM 0 HB2 SER A 70 7.169 -5.549 7.912 1.00 2.18 H new ATOM 0 HB3 SER A 70 7.105 -5.650 6.163 1.00 2.18 H new ATOM 0 HG SER A 70 6.061 -7.453 7.185 1.00 2.80 H new ATOM 1168 N THR A 71 10.111 -4.464 5.544 1.00 1.44 N ATOM 1169 CA THR A 71 10.621 -3.151 5.144 1.00 1.46 C ATOM 1170 C THR A 71 9.732 -2.529 4.063 1.00 1.45 C ATOM 1171 O THR A 71 9.960 -1.400 3.627 1.00 1.87 O ATOM 1172 CB THR A 71 12.080 -3.230 4.631 1.00 1.83 C ATOM 1173 OG1 THR A 71 12.676 -1.927 4.634 1.00 2.27 O ATOM 1174 CG2 THR A 71 12.141 -3.808 3.221 1.00 2.08 C ATOM 0 H THR A 71 10.234 -5.192 4.840 1.00 1.44 H new ATOM 0 HA THR A 71 10.605 -2.521 6.033 1.00 1.46 H new ATOM 0 HB THR A 71 12.631 -3.889 5.301 1.00 1.83 H new ATOM 0 HG1 THR A 71 13.599 -1.989 4.309 1.00 2.27 H new ATOM 0 HG21 THR A 71 13.179 -3.850 2.890 1.00 2.08 H new ATOM 0 HG22 THR A 71 11.719 -4.813 3.221 1.00 2.08 H new ATOM 0 HG23 THR A 71 11.569 -3.174 2.543 1.00 2.08 H new ATOM 1182 N SER A 72 8.717 -3.279 3.636 1.00 1.38 N ATOM 1183 CA SER A 72 7.790 -2.807 2.615 1.00 1.57 C ATOM 1184 C SER A 72 6.344 -2.957 3.092 1.00 1.49 C ATOM 1185 O SER A 72 5.414 -3.043 2.285 1.00 1.91 O ATOM 1186 CB SER A 72 8.008 -3.571 1.307 1.00 2.05 C ATOM 1187 OG SER A 72 7.227 -4.749 1.262 1.00 2.49 O ATOM 0 H SER A 72 8.518 -4.217 3.983 1.00 1.38 H new ATOM 0 HA SER A 72 7.981 -1.749 2.434 1.00 1.57 H new ATOM 0 HB2 SER A 72 7.752 -2.931 0.463 1.00 2.05 H new ATOM 0 HB3 SER A 72 9.062 -3.827 1.205 1.00 2.05 H new ATOM 0 HG SER A 72 7.726 -5.488 1.669 1.00 2.49 H new ATOM 1193 N ALA A 73 6.168 -2.974 4.415 1.00 1.18 N ATOM 1194 CA ALA A 73 4.845 -3.098 5.023 1.00 1.24 C ATOM 1195 C ALA A 73 4.013 -1.849 4.756 1.00 1.27 C ATOM 1196 O ALA A 73 2.792 -1.848 4.903 1.00 1.39 O ATOM 1197 CB ALA A 73 4.981 -3.350 6.516 1.00 1.32 C ATOM 0 H ALA A 73 6.931 -2.903 5.088 1.00 1.18 H new ATOM 0 HA ALA A 73 4.329 -3.947 4.574 1.00 1.24 H new ATOM 0 HB1 ALA A 73 3.990 -3.441 6.961 1.00 1.32 H new ATOM 0 HB2 ALA A 73 5.539 -4.272 6.680 1.00 1.32 H new ATOM 0 HB3 ALA A 73 5.512 -2.518 6.979 1.00 1.32 H new ATOM 1203 N ALA A 74 4.700 -0.784 4.364 1.00 1.27 N ATOM 1204 CA ALA A 74 4.064 0.480 4.038 1.00 1.40 C ATOM 1205 C ALA A 74 3.376 0.398 2.680 1.00 1.28 C ATOM 1206 O ALA A 74 2.375 1.070 2.430 1.00 1.34 O ATOM 1207 CB ALA A 74 5.109 1.571 4.033 1.00 1.61 C ATOM 0 H ALA A 74 5.715 -0.775 4.264 1.00 1.27 H new ATOM 0 HA ALA A 74 3.305 0.706 4.787 1.00 1.40 H new ATOM 0 HB1 ALA A 74 4.639 2.524 3.789 1.00 1.61 H new ATOM 0 HB2 ALA A 74 5.572 1.636 5.018 1.00 1.61 H new ATOM 0 HB3 ALA A 74 5.871 1.341 3.289 1.00 1.61 H new ATOM 1213 N THR A 75 3.925 -0.458 1.821 1.00 1.16 N ATOM 1214 CA THR A 75 3.407 -0.666 0.473 1.00 1.15 C ATOM 1215 C THR A 75 2.115 -1.481 0.503 1.00 1.20 C ATOM 1216 O THR A 75 1.237 -1.295 -0.337 1.00 1.25 O ATOM 1217 CB THR A 75 4.452 -1.379 -0.414 1.00 1.17 C ATOM 1218 OG1 THR A 75 5.743 -0.792 -0.209 1.00 1.24 O ATOM 1219 CG2 THR A 75 4.083 -1.279 -1.888 1.00 1.66 C ATOM 0 H THR A 75 4.742 -1.027 2.041 1.00 1.16 H new ATOM 0 HA THR A 75 3.193 0.315 0.048 1.00 1.15 H new ATOM 0 HB THR A 75 4.472 -2.432 -0.132 1.00 1.17 H new ATOM 0 HG1 THR A 75 6.403 -1.248 -0.772 1.00 1.24 H new ATOM 0 HG21 THR A 75 4.837 -1.790 -2.487 1.00 1.66 H new ATOM 0 HG22 THR A 75 3.112 -1.745 -2.052 1.00 1.66 H new ATOM 0 HG23 THR A 75 4.036 -0.230 -2.181 1.00 1.66 H new ATOM 1227 N CYS A 76 2.011 -2.383 1.480 1.00 1.24 N ATOM 1228 CA CYS A 76 0.820 -3.218 1.646 1.00 1.36 C ATOM 1229 C CYS A 76 -0.404 -2.356 1.965 1.00 1.39 C ATOM 1230 O CYS A 76 -1.493 -2.591 1.443 1.00 1.46 O ATOM 1231 CB CYS A 76 1.052 -4.243 2.759 1.00 1.46 C ATOM 1232 SG CYS A 76 2.446 -5.357 2.458 1.00 1.61 S ATOM 0 H CYS A 76 2.741 -2.555 2.172 1.00 1.24 H new ATOM 0 HA CYS A 76 0.632 -3.746 0.711 1.00 1.36 H new ATOM 0 HB2 CYS A 76 1.220 -3.713 3.697 1.00 1.46 H new ATOM 0 HB3 CYS A 76 0.147 -4.837 2.886 1.00 1.46 H new ATOM 0 HG CYS A 76 2.001 -6.556 2.227 1.00 1.61 H new ATOM 1238 N THR A 77 -0.207 -1.352 2.823 1.00 1.35 N ATOM 1239 CA THR A 77 -1.277 -0.431 3.208 1.00 1.39 C ATOM 1240 C THR A 77 -1.615 0.516 2.052 1.00 1.34 C ATOM 1241 O THR A 77 -2.755 0.959 1.905 1.00 1.38 O ATOM 1242 CB THR A 77 -0.878 0.404 4.447 1.00 1.41 C ATOM 1243 OG1 THR A 77 -0.558 -0.458 5.548 1.00 1.48 O ATOM 1244 CG2 THR A 77 -2.001 1.354 4.848 1.00 1.49 C ATOM 0 H THR A 77 0.690 -1.156 3.266 1.00 1.35 H new ATOM 0 HA THR A 77 -2.152 -1.033 3.454 1.00 1.39 H new ATOM 0 HB THR A 77 0.001 0.994 4.186 1.00 1.41 H new ATOM 0 HG1 THR A 77 -0.306 0.084 6.325 1.00 1.48 H new ATOM 0 HG21 THR A 77 -1.696 1.930 5.722 1.00 1.49 H new ATOM 0 HG22 THR A 77 -2.215 2.033 4.023 1.00 1.49 H new ATOM 0 HG23 THR A 77 -2.896 0.779 5.087 1.00 1.49 H new ATOM 1252 N ARG A 78 -0.605 0.809 1.234 1.00 1.27 N ATOM 1253 CA ARG A 78 -0.744 1.698 0.079 1.00 1.25 C ATOM 1254 C ARG A 78 -1.654 1.088 -0.997 1.00 1.30 C ATOM 1255 O ARG A 78 -2.411 1.796 -1.662 1.00 1.29 O ATOM 1256 CB ARG A 78 0.657 1.968 -0.496 1.00 1.25 C ATOM 1257 CG ARG A 78 0.684 2.712 -1.824 1.00 1.33 C ATOM 1258 CD ARG A 78 2.043 2.559 -2.499 1.00 1.40 C ATOM 1259 NE ARG A 78 2.221 3.471 -3.628 1.00 1.56 N ATOM 1260 CZ ARG A 78 3.399 3.704 -4.211 1.00 1.92 C ATOM 1261 NH1 ARG A 78 4.497 3.095 -3.774 1.00 2.01 N ATOM 1262 NH2 ARG A 78 3.481 4.546 -5.232 1.00 2.42 N ATOM 0 H ARG A 78 0.337 0.436 1.353 1.00 1.27 H new ATOM 0 HA ARG A 78 -1.209 2.630 0.400 1.00 1.25 H new ATOM 0 HB2 ARG A 78 1.227 2.542 0.235 1.00 1.25 H new ATOM 0 HB3 ARG A 78 1.170 1.014 -0.622 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -0.098 2.327 -2.478 1.00 1.33 H new ATOM 0 HG3 ARG A 78 0.471 3.768 -1.659 1.00 1.33 H new ATOM 0 HD2 ARG A 78 2.830 2.738 -1.766 1.00 1.40 H new ATOM 0 HD3 ARG A 78 2.158 1.532 -2.846 1.00 1.40 H new ATOM 0 HE ARG A 78 1.400 3.956 -3.990 1.00 1.56 H new ATOM 0 HH11 ARG A 78 4.442 2.446 -2.989 1.00 2.01 H new ATOM 0 HH12 ARG A 78 5.394 3.277 -4.223 1.00 2.01 H new ATOM 0 HH21 ARG A 78 2.643 5.017 -5.573 1.00 2.42 H new ATOM 0 HH22 ARG A 78 4.382 4.723 -5.676 1.00 2.42 H new ATOM 1276 N ARG A 79 -1.570 -0.231 -1.147 1.00 1.37 N ATOM 1277 CA ARG A 79 -2.343 -0.967 -2.141 1.00 1.45 C ATOM 1278 C ARG A 79 -3.818 -1.129 -1.757 1.00 1.48 C ATOM 1279 O ARG A 79 -4.674 -1.242 -2.633 1.00 1.54 O ATOM 1280 CB ARG A 79 -1.698 -2.330 -2.450 1.00 1.52 C ATOM 1281 CG ARG A 79 -0.237 -2.206 -2.922 1.00 1.51 C ATOM 1282 CD ARG A 79 0.362 -3.560 -3.326 1.00 1.59 C ATOM 1283 NE ARG A 79 -0.236 -4.085 -4.572 1.00 1.67 N ATOM 1284 CZ ARG A 79 0.009 -5.254 -5.134 1.00 1.76 C ATOM 1285 NH1 ARG A 79 0.843 -6.110 -4.618 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -0.584 -5.590 -6.245 1.00 1.82 N ATOM 0 H ARG A 79 -0.961 -0.821 -0.580 1.00 1.37 H new ATOM 0 HA ARG A 79 -2.327 -0.363 -3.048 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -1.735 -2.955 -1.558 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -2.281 -2.837 -3.219 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -0.188 -1.522 -3.770 1.00 1.51 H new ATOM 0 HG3 ARG A 79 0.364 -1.769 -2.125 1.00 1.51 H new ATOM 0 HD2 ARG A 79 1.439 -3.454 -3.458 1.00 1.59 H new ATOM 0 HD3 ARG A 79 0.209 -4.278 -2.521 1.00 1.59 H new ATOM 0 HE ARG A 79 -0.907 -3.481 -5.047 1.00 1.67 H new ATOM 0 HH11 ARG A 79 1.332 -5.887 -3.751 1.00 1.79 H new ATOM 0 HH12 ARG A 79 1.007 -7.004 -5.080 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -1.242 -4.948 -6.686 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -0.390 -6.495 -6.673 1.00 1.82 H new ATOM 1300 N HIS A 80 -4.122 -1.094 -0.459 1.00 1.47 N ATOM 1301 CA HIS A 80 -5.487 -1.020 0.062 1.00 1.50 C ATOM 1302 C HIS A 80 -6.044 0.405 -0.089 1.00 1.44 C ATOM 1303 O HIS A 80 -7.100 0.581 -0.693 1.00 1.48 O ATOM 1304 CB HIS A 80 -5.508 -1.519 1.517 1.00 1.52 C ATOM 1305 CG HIS A 80 -4.942 -2.914 1.685 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -5.031 -3.959 0.795 1.00 1.62 N flip ATOM 1307 CD2 HIS A 80 -4.235 -3.382 2.771 1.00 1.68 C flip ATOM 1308 CE1 HIS A 80 -4.370 -5.065 1.347 1.00 1.70 C flip ATOM 1309 NE2 HIS A 80 -3.909 -4.666 2.545 1.00 1.74 N flip ATOM 0 H HIS A 80 -3.413 -1.117 0.273 1.00 1.47 H new ATOM 0 HA HIS A 80 -6.143 -1.670 -0.517 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -4.939 -0.827 2.138 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -6.535 -1.505 1.883 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -3.985 -2.813 3.654 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -4.254 -6.041 0.900 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -3.385 -5.255 3.192 1.00 1.74 H new ATOM 1318 N TYR A 81 -5.313 1.440 0.353 1.00 1.35 N ATOM 1319 CA TYR A 81 -5.748 2.845 0.287 1.00 1.29 C ATOM 1320 C TYR A 81 -6.109 3.295 -1.135 1.00 1.32 C ATOM 1321 O TYR A 81 -7.104 4.000 -1.323 1.00 1.34 O ATOM 1322 CB TYR A 81 -4.645 3.737 0.885 1.00 1.21 C ATOM 1323 CG TYR A 81 -5.013 5.202 1.114 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -5.133 6.092 0.025 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -5.180 5.691 2.424 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -5.437 7.450 0.243 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -5.411 7.063 2.649 1.00 1.12 C ATOM 1328 CZ TYR A 81 -5.558 7.949 1.558 1.00 1.12 C ATOM 1329 OH TYR A 81 -5.847 9.260 1.786 1.00 1.11 O ATOM 0 H TYR A 81 -4.390 1.324 0.772 1.00 1.35 H new ATOM 0 HA TYR A 81 -6.664 2.941 0.869 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -4.337 3.308 1.838 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -3.779 3.700 0.224 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -4.991 5.729 -0.982 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -5.131 5.011 3.261 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -5.578 8.112 -0.599 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -5.476 7.439 3.659 1.00 1.12 H new ATOM 0 HH TYR A 81 -6.435 9.594 1.076 1.00 1.11 H new ATOM 1339 N GLU A 82 -5.370 2.838 -2.159 1.00 1.34 N ATOM 1340 CA GLU A 82 -5.580 3.237 -3.551 1.00 1.39 C ATOM 1341 C GLU A 82 -6.868 2.661 -4.156 1.00 1.50 C ATOM 1342 O GLU A 82 -7.234 3.018 -5.280 1.00 1.56 O ATOM 1343 CB GLU A 82 -4.340 2.959 -4.417 1.00 1.40 C ATOM 1344 CG GLU A 82 -4.127 1.491 -4.772 1.00 1.46 C ATOM 1345 CD GLU A 82 -3.057 1.335 -5.867 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -3.377 1.600 -7.053 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -1.912 0.924 -5.558 1.00 1.46 O ATOM 0 H GLU A 82 -4.604 2.175 -2.038 1.00 1.34 H new ATOM 0 HA GLU A 82 -5.725 4.317 -3.543 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -4.422 3.534 -5.340 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -3.457 3.323 -3.891 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -3.824 0.939 -3.882 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -5.067 1.056 -5.113 1.00 1.46 H new ATOM 1354 N ARG A 83 -7.566 1.786 -3.409 1.00 1.53 N ATOM 1355 CA ARG A 83 -8.917 1.332 -3.767 1.00 1.64 C ATOM 1356 C ARG A 83 -9.964 1.548 -2.667 1.00 1.64 C ATOM 1357 O ARG A 83 -11.148 1.355 -2.935 1.00 1.73 O ATOM 1358 CB ARG A 83 -8.890 -0.150 -4.195 1.00 1.73 C ATOM 1359 CG ARG A 83 -8.041 -0.459 -5.435 1.00 1.75 C ATOM 1360 CD ARG A 83 -8.568 0.219 -6.712 1.00 1.81 C ATOM 1361 NE ARG A 83 -7.690 -0.072 -7.862 1.00 1.84 N ATOM 1362 CZ ARG A 83 -6.531 0.509 -8.129 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -6.114 1.566 -7.500 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -5.735 0.020 -9.034 1.00 1.82 N ATOM 0 H ARG A 83 -7.209 1.377 -2.545 1.00 1.53 H new ATOM 0 HA ARG A 83 -9.228 1.957 -4.604 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -8.516 -0.745 -3.362 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -9.913 -0.475 -4.385 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -7.016 -0.135 -5.256 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -8.013 -1.538 -5.589 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -9.579 -0.130 -6.923 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -8.628 1.296 -6.558 1.00 1.81 H new ATOM 0 HE ARG A 83 -8.007 -0.790 -8.514 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -6.687 1.982 -6.766 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -5.213 1.980 -7.740 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -6.001 -0.820 -9.547 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -4.845 0.477 -9.231 1.00 1.82 H new ATOM 1378 N LEU A 84 -9.553 1.975 -1.467 1.00 1.56 N ATOM 1379 CA LEU A 84 -10.436 1.987 -0.298 1.00 1.57 C ATOM 1380 C LEU A 84 -10.708 3.406 0.230 1.00 1.51 C ATOM 1381 O LEU A 84 -11.592 3.587 1.058 1.00 1.54 O ATOM 1382 CB LEU A 84 -9.770 1.076 0.747 1.00 1.56 C ATOM 1383 CG LEU A 84 -10.590 0.770 2.001 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -11.901 0.059 1.687 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -9.778 -0.128 2.931 1.00 1.61 C ATOM 0 H LEU A 84 -8.610 2.318 -1.281 1.00 1.56 H new ATOM 0 HA LEU A 84 -11.427 1.615 -0.557 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -9.516 0.132 0.265 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -8.832 1.538 1.056 1.00 1.56 H new ATOM 0 HG LEU A 84 -10.823 1.727 2.468 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -12.442 -0.133 2.614 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -12.509 0.687 1.036 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -11.691 -0.886 1.186 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -10.361 -0.347 3.826 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -9.536 -1.059 2.418 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -8.856 0.380 3.214 1.00 1.61 H new ATOM 1397 N ILE A 85 -9.979 4.414 -0.265 1.00 1.44 N ATOM 1398 CA ILE A 85 -10.333 5.826 -0.021 1.00 1.41 C ATOM 1399 C ILE A 85 -9.754 6.798 -1.048 1.00 1.39 C ATOM 1400 O ILE A 85 -10.363 7.841 -1.255 1.00 1.42 O ATOM 1401 CB ILE A 85 -10.019 6.257 1.424 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -10.662 7.632 1.724 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -8.516 6.262 1.711 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -10.921 7.884 3.210 1.00 1.33 C ATOM 0 H ILE A 85 -9.143 4.284 -0.835 1.00 1.44 H new ATOM 0 HA ILE A 85 -11.414 5.879 -0.153 1.00 1.41 H new ATOM 0 HB ILE A 85 -10.457 5.519 2.096 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -10.011 8.418 1.340 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -11.605 7.707 1.183 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -8.343 6.572 2.742 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -8.114 5.260 1.561 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -8.019 6.957 1.035 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -11.373 8.868 3.339 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -11.597 7.121 3.596 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -9.978 7.843 3.756 1.00 1.33 H new ATOM 1416 N LEU A 86 -8.686 6.461 -1.778 1.00 1.37 N ATOM 1417 CA LEU A 86 -8.257 7.241 -2.948 1.00 1.39 C ATOM 1418 C LEU A 86 -9.417 7.560 -3.932 1.00 1.49 C ATOM 1419 O LEU A 86 -9.495 8.708 -4.380 1.00 1.52 O ATOM 1420 CB LEU A 86 -7.087 6.509 -3.624 1.00 1.37 C ATOM 1421 CG LEU A 86 -6.481 7.197 -4.861 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -5.976 8.611 -4.561 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -5.313 6.381 -5.402 1.00 1.40 C ATOM 0 H LEU A 86 -8.099 5.650 -1.580 1.00 1.37 H new ATOM 0 HA LEU A 86 -7.919 8.220 -2.609 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -6.296 6.371 -2.886 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -7.427 5.515 -3.916 1.00 1.37 H new ATOM 0 HG LEU A 86 -7.283 7.264 -5.596 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -5.559 9.049 -5.468 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -6.804 9.226 -4.209 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -5.205 8.566 -3.792 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -4.895 6.880 -6.276 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -4.545 6.291 -4.634 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -5.663 5.388 -5.684 1.00 1.40 H new ATOM 1435 N PRO A 87 -10.362 6.636 -4.234 1.00 1.58 N ATOM 1436 CA PRO A 87 -11.550 6.968 -5.030 1.00 1.69 C ATOM 1437 C PRO A 87 -12.626 7.799 -4.299 1.00 1.71 C ATOM 1438 O PRO A 87 -13.481 8.366 -4.984 1.00 1.80 O ATOM 1439 CB PRO A 87 -12.118 5.624 -5.505 1.00 1.78 C ATOM 1440 CG PRO A 87 -11.674 4.646 -4.424 1.00 1.71 C ATOM 1441 CD PRO A 87 -10.301 5.186 -4.040 1.00 1.59 C ATOM 0 HA PRO A 87 -11.251 7.622 -5.849 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -13.204 5.657 -5.595 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -11.726 5.346 -6.483 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -12.359 4.638 -3.576 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -11.619 3.624 -4.798 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -10.062 4.942 -3.005 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -9.521 4.743 -4.660 1.00 1.59 H new ATOM 1449 N TYR A 88 -12.612 7.904 -2.958 1.00 1.63 N ATOM 1450 CA TYR A 88 -13.653 8.632 -2.204 1.00 1.66 C ATOM 1451 C TYR A 88 -13.186 9.974 -1.612 1.00 1.59 C ATOM 1452 O TYR A 88 -13.973 10.916 -1.601 1.00 1.64 O ATOM 1453 CB TYR A 88 -14.336 7.704 -1.179 1.00 1.68 C ATOM 1454 CG TYR A 88 -15.726 7.221 -1.592 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -16.001 6.830 -2.922 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -16.760 7.164 -0.635 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -17.290 6.396 -3.288 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -18.053 6.740 -0.998 1.00 1.97 C ATOM 1459 CZ TYR A 88 -18.322 6.350 -2.327 1.00 2.05 C ATOM 1460 OH TYR A 88 -19.566 5.928 -2.689 1.00 2.17 O ATOM 0 H TYR A 88 -11.888 7.492 -2.370 1.00 1.63 H new ATOM 0 HA TYR A 88 -14.412 8.931 -2.927 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -13.698 6.836 -1.011 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -14.415 8.230 -0.228 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -15.217 6.864 -3.664 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -16.558 7.448 0.387 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -17.489 6.098 -4.307 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -18.839 6.713 -0.258 1.00 1.97 H new ATOM 0 HH TYR A 88 -20.160 5.955 -1.910 1.00 2.17 H new ATOM 1470 N GLU A 89 -11.906 10.167 -1.265 1.00 1.50 N ATOM 1471 CA GLU A 89 -11.371 11.512 -0.951 1.00 1.46 C ATOM 1472 C GLU A 89 -11.558 12.503 -2.128 1.00 1.53 C ATOM 1473 O GLU A 89 -11.515 13.718 -1.943 1.00 1.55 O ATOM 1474 CB GLU A 89 -9.900 11.469 -0.481 1.00 1.36 C ATOM 1475 CG GLU A 89 -8.874 11.096 -1.565 1.00 1.35 C ATOM 1476 CD GLU A 89 -7.429 11.379 -1.104 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -6.866 10.588 -0.312 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -6.845 12.400 -1.551 1.00 1.29 O ATOM 0 H GLU A 89 -11.219 9.416 -1.193 1.00 1.50 H new ATOM 0 HA GLU A 89 -11.961 11.884 -0.114 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -9.637 12.446 -0.076 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -9.818 10.752 0.336 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -8.976 10.040 -1.815 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -9.083 11.660 -2.474 1.00 1.35 H new ATOM 1485 N ARG A 90 -11.863 11.955 -3.314 1.00 1.61 N ATOM 1486 CA ARG A 90 -12.292 12.744 -4.476 1.00 1.71 C ATOM 1487 C ARG A 90 -13.457 13.707 -4.180 1.00 1.78 C ATOM 1488 O ARG A 90 -13.448 14.815 -4.717 1.00 1.83 O ATOM 1489 CB ARG A 90 -12.613 11.768 -5.625 1.00 1.78 C ATOM 1490 CG ARG A 90 -12.782 12.471 -6.978 1.00 1.89 C ATOM 1491 CD ARG A 90 -12.932 11.440 -8.103 1.00 1.97 C ATOM 1492 NE ARG A 90 -13.052 12.091 -9.421 1.00 2.08 N ATOM 1493 CZ ARG A 90 -12.997 11.501 -10.601 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -12.840 10.213 -10.730 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -13.101 12.202 -11.694 1.00 2.25 N ATOM 0 H ARG A 90 -11.819 10.952 -3.493 1.00 1.61 H new ATOM 0 HA ARG A 90 -11.476 13.406 -4.765 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -11.814 11.031 -5.702 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -13.527 11.224 -5.388 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -13.658 13.119 -6.951 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -11.920 13.109 -7.174 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -12.070 10.772 -8.103 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -13.812 10.824 -7.919 1.00 1.97 H new ATOM 0 HE ARG A 90 -13.192 13.101 -9.421 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -12.755 9.624 -9.902 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -12.802 9.794 -11.659 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -13.226 13.213 -11.642 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -13.058 11.740 -12.602 1.00 2.25 H new ATOM 1509 N PHE A 91 -14.412 13.365 -3.299 1.00 1.78 N ATOM 1510 CA PHE A 91 -15.445 14.330 -2.867 1.00 1.84 C ATOM 1511 C PHE A 91 -14.911 15.379 -1.870 1.00 1.78 C ATOM 1512 O PHE A 91 -15.385 16.514 -1.865 1.00 1.84 O ATOM 1513 CB PHE A 91 -16.722 13.635 -2.347 1.00 1.89 C ATOM 1514 CG PHE A 91 -16.648 12.903 -1.012 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -16.563 13.617 0.203 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -16.717 11.496 -0.974 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -16.447 12.928 1.424 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -16.589 10.811 0.244 1.00 1.76 C ATOM 1519 CZ PHE A 91 -16.422 11.526 1.437 1.00 1.70 C ATOM 0 H PHE A 91 -14.493 12.441 -2.875 1.00 1.78 H new ATOM 0 HA PHE A 91 -15.728 14.880 -3.765 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -17.505 14.390 -2.271 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -17.043 12.918 -3.103 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -16.587 14.697 0.195 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -16.869 10.941 -1.888 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -16.377 13.478 2.351 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -16.619 9.732 0.262 1.00 1.76 H new ATOM 0 HZ PHE A 91 -16.274 10.997 2.367 1.00 1.70 H new ATOM 1529 N ILE A 92 -13.890 15.040 -1.071 1.00 1.67 N ATOM 1530 CA ILE A 92 -13.301 15.983 -0.098 1.00 1.62 C ATOM 1531 C ILE A 92 -12.440 17.017 -0.837 1.00 1.64 C ATOM 1532 O ILE A 92 -12.502 18.214 -0.564 1.00 1.69 O ATOM 1533 CB ILE A 92 -12.456 15.224 0.962 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -13.278 14.104 1.642 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -11.913 16.207 2.017 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -12.493 13.221 2.618 1.00 1.43 C ATOM 0 H ILE A 92 -13.451 14.119 -1.076 1.00 1.67 H new ATOM 0 HA ILE A 92 -14.106 16.500 0.424 1.00 1.62 H new ATOM 0 HB ILE A 92 -11.616 14.756 0.448 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -14.110 14.560 2.178 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -13.708 13.469 0.867 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -11.323 15.661 2.753 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -11.285 16.953 1.530 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -12.746 16.703 2.515 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -13.157 12.467 3.042 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -11.677 12.729 2.088 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -12.086 13.837 3.419 1.00 1.43 H new ATOM 1548 N LYS A 93 -11.683 16.546 -1.829 1.00 1.63 N ATOM 1549 CA LYS A 93 -10.689 17.361 -2.541 1.00 1.66 C ATOM 1550 C LYS A 93 -11.246 18.021 -3.811 1.00 1.78 C ATOM 1551 O LYS A 93 -10.557 18.815 -4.452 1.00 1.82 O ATOM 1552 CB LYS A 93 -9.509 16.420 -2.822 1.00 1.58 C ATOM 1553 CG LYS A 93 -8.186 17.146 -3.092 1.00 1.58 C ATOM 1554 CD LYS A 93 -7.005 16.190 -2.888 1.00 1.49 C ATOM 1555 CE LYS A 93 -7.015 15.029 -3.889 1.00 1.50 C ATOM 1556 NZ LYS A 93 -5.936 14.064 -3.585 1.00 1.41 N ATOM 0 H LYS A 93 -11.740 15.585 -2.165 1.00 1.63 H new ATOM 0 HA LYS A 93 -10.377 18.212 -1.935 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -9.379 15.752 -1.970 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -9.752 15.796 -3.682 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -8.177 17.534 -4.111 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -8.090 18.002 -2.424 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -6.071 16.744 -2.987 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -7.034 15.792 -1.874 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -7.980 14.524 -3.857 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -6.890 15.414 -4.901 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -5.817 13.412 -4.387 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -5.047 14.578 -3.421 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -6.185 13.522 -2.733 1.00 1.41 H new ATOM 1570 N GLY A 94 -12.505 17.713 -4.138 1.00 1.84 N ATOM 1571 CA GLY A 94 -13.191 18.272 -5.307 1.00 1.97 C ATOM 1572 C GLY A 94 -14.461 19.060 -4.969 1.00 2.05 C ATOM 1573 O GLY A 94 -14.896 19.862 -5.792 1.00 2.15 O ATOM 0 H GLY A 94 -13.079 17.066 -3.597 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -12.502 18.926 -5.841 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -13.450 17.460 -5.986 1.00 1.97 H new ATOM 1577 N GLU A 95 -15.041 18.883 -3.771 1.00 2.00 N ATOM 1578 CA GLU A 95 -16.311 19.524 -3.367 1.00 2.08 C ATOM 1579 C GLU A 95 -16.356 19.975 -1.889 1.00 2.02 C ATOM 1580 O GLU A 95 -17.431 20.163 -1.315 1.00 2.07 O ATOM 1581 CB GLU A 95 -17.514 18.615 -3.712 1.00 2.13 C ATOM 1582 CG GLU A 95 -17.645 18.250 -5.197 1.00 2.21 C ATOM 1583 CD GLU A 95 -18.947 17.476 -5.463 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -19.995 18.112 -5.746 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -18.938 16.221 -5.407 1.00 2.26 O ATOM 0 H GLU A 95 -14.641 18.287 -3.047 1.00 2.00 H new ATOM 0 HA GLU A 95 -16.377 20.444 -3.947 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -17.433 17.695 -3.133 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -18.430 19.113 -3.393 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -17.628 19.157 -5.801 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -16.790 17.647 -5.503 1.00 2.21 H new ATOM 1592 N GLU A 96 -15.191 20.192 -1.265 1.00 1.94 N ATOM 1593 CA GLU A 96 -15.086 20.743 0.100 1.00 1.90 C ATOM 1594 C GLU A 96 -13.786 21.531 0.379 1.00 1.87 C ATOM 1595 O GLU A 96 -13.848 22.638 0.916 1.00 1.92 O ATOM 1596 CB GLU A 96 -15.269 19.613 1.137 1.00 1.82 C ATOM 1597 CG GLU A 96 -15.459 20.157 2.559 1.00 1.81 C ATOM 1598 CD GLU A 96 -15.794 19.024 3.549 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -16.997 18.714 3.736 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -14.863 18.452 4.164 1.00 1.68 O ATOM 0 H GLU A 96 -14.287 19.990 -1.692 1.00 1.94 H new ATOM 0 HA GLU A 96 -15.888 21.476 0.190 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -16.133 19.007 0.863 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -14.399 18.957 1.114 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -14.551 20.668 2.880 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -16.260 20.897 2.564 1.00 1.81 H new ATOM 1607 N ASP A 97 -12.641 20.982 -0.003 1.00 1.80 N ATOM 1608 CA ASP A 97 -11.367 21.649 0.243 1.00 1.78 C ATOM 1609 C ASP A 97 -10.935 22.525 -0.933 1.00 1.87 C ATOM 1610 O ASP A 97 -11.472 23.615 -1.136 1.00 2.33 O ATOM 1611 CB ASP A 97 -10.281 20.620 0.567 1.00 1.78 C ATOM 1612 CG ASP A 97 -10.386 20.093 1.985 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -11.403 19.443 2.301 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -9.454 20.334 2.780 1.00 2.20 O ATOM 0 H ASP A 97 -12.566 20.084 -0.481 1.00 1.80 H new ATOM 0 HA ASP A 97 -11.507 22.306 1.101 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -10.353 19.788 -0.133 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -9.300 21.074 0.423 1.00 1.78 H new ATOM 1619 N LYS A 98 -9.966 22.038 -1.703 1.00 1.90 N ATOM 1620 CA LYS A 98 -9.440 22.777 -2.845 1.00 2.13 C ATOM 1621 C LYS A 98 -10.288 22.548 -4.094 1.00 2.94 C ATOM 1622 O LYS A 98 -10.883 21.489 -4.263 1.00 3.42 O ATOM 1623 CB LYS A 98 -7.992 22.351 -3.115 1.00 2.05 C ATOM 1624 CG LYS A 98 -7.078 22.483 -1.905 1.00 2.30 C ATOM 1625 CD LYS A 98 -5.739 21.792 -2.127 1.00 2.83 C ATOM 1626 CE LYS A 98 -4.885 22.532 -3.144 1.00 3.09 C ATOM 1627 NZ LYS A 98 -3.570 21.866 -3.358 1.00 3.68 N ATOM 0 H LYS A 98 -9.527 21.129 -1.555 1.00 1.90 H new ATOM 0 HA LYS A 98 -9.472 23.840 -2.605 1.00 2.13 H new ATOM 0 HB2 LYS A 98 -7.985 21.315 -3.453 1.00 2.05 H new ATOM 0 HB3 LYS A 98 -7.591 22.955 -3.929 1.00 2.05 H new ATOM 0 HG2 LYS A 98 -6.911 23.538 -1.690 1.00 2.30 H new ATOM 0 HG3 LYS A 98 -7.568 22.053 -1.031 1.00 2.30 H new ATOM 0 HD2 LYS A 98 -5.202 21.726 -1.181 1.00 2.83 H new ATOM 0 HD3 LYS A 98 -5.909 20.771 -2.469 1.00 2.83 H new ATOM 0 HE2 LYS A 98 -5.420 22.591 -4.092 1.00 3.09 H new ATOM 0 HE3 LYS A 98 -4.722 23.555 -2.805 1.00 3.09 H new ATOM 0 HZ1 LYS A 98 -3.019 22.402 -4.058 1.00 3.68 H new ATOM 0 HZ2 LYS A 98 -3.048 21.832 -2.459 1.00 3.68 H new ATOM 0 HZ3 LYS A 98 -3.724 20.898 -3.706 1.00 3.68 H new ATOM 1641 N PRO A 99 -10.367 23.559 -4.978 1.00 3.57 N ATOM 1642 CA PRO A 99 -11.127 23.461 -6.229 1.00 4.60 C ATOM 1643 C PRO A 99 -10.355 22.709 -7.318 1.00 4.87 C ATOM 1644 O PRO A 99 -10.865 22.487 -8.418 1.00 5.78 O ATOM 1645 CB PRO A 99 -11.326 24.926 -6.615 1.00 5.30 C ATOM 1646 CG PRO A 99 -10.120 25.618 -6.078 1.00 4.88 C ATOM 1647 CD PRO A 99 -9.744 24.888 -4.814 1.00 3.76 C ATOM 0 HA PRO A 99 -12.057 22.904 -6.114 1.00 4.60 H new ATOM 0 HB2 PRO A 99 -11.404 25.045 -7.696 1.00 5.30 H new ATOM 0 HB3 PRO A 99 -12.241 25.330 -6.183 1.00 5.30 H new ATOM 0 HG2 PRO A 99 -9.303 25.593 -6.799 1.00 4.88 H new ATOM 0 HG3 PRO A 99 -10.332 26.667 -5.873 1.00 4.88 H new ATOM 0 HD2 PRO A 99 -8.662 24.812 -4.702 1.00 3.76 H new ATOM 0 HD3 PRO A 99 -10.121 25.400 -3.929 1.00 3.76 H new ATOM 1655 N LEU A 100 -9.119 22.321 -6.995 1.00 4.16 N ATOM 1656 CA LEU A 100 -8.260 21.592 -7.923 1.00 4.45 C ATOM 1657 C LEU A 100 -8.569 20.097 -7.895 1.00 4.49 C ATOM 1658 O LEU A 100 -8.787 19.521 -6.828 1.00 4.18 O ATOM 1659 CB LEU A 100 -6.787 21.818 -7.573 1.00 4.19 C ATOM 1660 CG LEU A 100 -6.242 23.210 -7.890 1.00 4.60 C ATOM 1661 CD1 LEU A 100 -6.460 24.161 -6.722 1.00 4.86 C ATOM 1662 CD2 LEU A 100 -4.768 23.123 -8.248 1.00 4.95 C ATOM 0 H LEU A 100 -8.690 22.503 -6.088 1.00 4.16 H new ATOM 0 HA LEU A 100 -8.455 21.970 -8.927 1.00 4.45 H new ATOM 0 HB2 LEU A 100 -6.651 21.627 -6.508 1.00 4.19 H new ATOM 0 HB3 LEU A 100 -6.187 21.082 -8.108 1.00 4.19 H new ATOM 0 HG LEU A 100 -6.787 23.608 -8.746 1.00 4.60 H new ATOM 0 HD11 LEU A 100 -6.063 25.144 -6.974 1.00 4.86 H new ATOM 0 HD12 LEU A 100 -7.527 24.243 -6.514 1.00 4.86 H new ATOM 0 HD13 LEU A 100 -5.947 23.778 -5.840 1.00 4.86 H new ATOM 0 HD21 LEU A 100 -4.389 24.120 -8.472 1.00 4.95 H new ATOM 0 HD22 LEU A 100 -4.214 22.704 -7.408 1.00 4.95 H new ATOM 0 HD23 LEU A 100 -4.643 22.482 -9.121 1.00 4.95 H new ATOM 1674 N PRO A 101 -8.580 19.447 -9.074 1.00 5.19 N ATOM 1675 CA PRO A 101 -8.869 18.012 -9.188 1.00 5.67 C ATOM 1676 C PRO A 101 -7.731 17.136 -8.653 1.00 5.64 C ATOM 1677 O PRO A 101 -6.589 17.588 -8.544 1.00 5.32 O ATOM 1678 CB PRO A 101 -9.049 17.814 -10.695 1.00 6.54 C ATOM 1679 CG PRO A 101 -8.218 18.881 -11.316 1.00 6.50 C ATOM 1680 CD PRO A 101 -8.303 20.061 -10.388 1.00 5.81 C ATOM 0 HA PRO A 101 -9.738 17.720 -8.598 1.00 5.67 H new ATOM 0 HB2 PRO A 101 -8.719 16.823 -11.007 1.00 6.54 H new ATOM 0 HB3 PRO A 101 -10.096 17.908 -10.985 1.00 6.54 H new ATOM 0 HG2 PRO A 101 -7.186 18.552 -11.436 1.00 6.50 H new ATOM 0 HG3 PRO A 101 -8.589 19.137 -12.309 1.00 6.50 H new ATOM 0 HD2 PRO A 101 -7.374 20.631 -10.377 1.00 5.81 H new ATOM 0 HD3 PRO A 101 -9.095 20.749 -10.685 1.00 5.81 H new ATOM 1688 N PRO A 102 -8.035 15.868 -8.297 1.00 6.15 N ATOM 1689 CA PRO A 102 -7.039 14.924 -7.763 1.00 6.45 C ATOM 1690 C PRO A 102 -6.041 14.408 -8.805 1.00 6.96 C ATOM 1691 O PRO A 102 -5.132 13.647 -8.466 1.00 7.31 O ATOM 1692 CB PRO A 102 -7.894 13.768 -7.240 1.00 7.14 C ATOM 1693 CG PRO A 102 -9.133 13.811 -8.064 1.00 7.42 C ATOM 1694 CD PRO A 102 -9.383 15.265 -8.361 1.00 6.66 C ATOM 0 HA PRO A 102 -6.414 15.407 -7.012 1.00 6.45 H new ATOM 0 HB2 PRO A 102 -7.379 12.814 -7.349 1.00 7.14 H new ATOM 0 HB3 PRO A 102 -8.119 13.890 -6.180 1.00 7.14 H new ATOM 0 HG2 PRO A 102 -9.010 13.240 -8.984 1.00 7.42 H new ATOM 0 HG3 PRO A 102 -9.974 13.372 -7.527 1.00 7.42 H new ATOM 0 HD2 PRO A 102 -9.837 15.402 -9.342 1.00 6.66 H new ATOM 0 HD3 PRO A 102 -10.058 15.713 -7.632 1.00 6.66 H new ATOM 1702 N ILE A 103 -6.201 14.815 -10.066 1.00 7.14 N ATOM 1703 CA ILE A 103 -5.290 14.374 -11.123 1.00 7.71 C ATOM 1704 C ILE A 103 -3.955 15.121 -11.048 1.00 7.31 C ATOM 1705 O ILE A 103 -3.882 16.330 -11.282 1.00 7.64 O ATOM 1706 CB ILE A 103 -5.917 14.530 -12.535 1.00 8.28 C ATOM 1707 CG1 ILE A 103 -4.902 14.145 -13.620 1.00 9.04 C ATOM 1708 CG2 ILE A 103 -6.432 15.946 -12.761 1.00 8.23 C ATOM 1709 CD1 ILE A 103 -5.480 14.140 -15.020 1.00 9.66 C ATOM 0 H ILE A 103 -6.943 15.441 -10.377 1.00 7.14 H new ATOM 0 HA ILE A 103 -5.105 13.312 -10.958 1.00 7.71 H new ATOM 0 HB ILE A 103 -6.769 13.853 -12.598 1.00 8.28 H new ATOM 0 HG12 ILE A 103 -4.064 14.841 -13.585 1.00 9.04 H new ATOM 0 HG13 ILE A 103 -4.503 13.155 -13.397 1.00 9.04 H new ATOM 0 HG21 ILE A 103 -6.864 16.021 -13.759 1.00 8.23 H new ATOM 0 HG22 ILE A 103 -7.194 16.179 -12.017 1.00 8.23 H new ATOM 0 HG23 ILE A 103 -5.607 16.652 -12.669 1.00 8.23 H new ATOM 0 HD11 ILE A 103 -4.705 13.859 -15.733 1.00 9.66 H new ATOM 0 HD12 ILE A 103 -6.299 13.423 -15.073 1.00 9.66 H new ATOM 0 HD13 ILE A 103 -5.853 15.135 -15.263 1.00 9.66 H new ATOM 1721 N LYS A 104 -2.901 14.386 -10.695 1.00 6.73 N ATOM 1722 CA LYS A 104 -1.565 14.959 -10.582 1.00 6.37 C ATOM 1723 C LYS A 104 -0.506 13.860 -10.499 1.00 5.89 C ATOM 1724 O LYS A 104 -0.248 13.313 -9.424 1.00 5.68 O ATOM 1725 CB LYS A 104 -1.470 15.867 -9.351 1.00 6.44 C ATOM 1726 CG LYS A 104 -0.137 16.591 -9.227 1.00 6.74 C ATOM 1727 CD LYS A 104 -0.090 17.478 -7.992 1.00 7.08 C ATOM 1728 CE LYS A 104 -1.032 18.666 -8.119 1.00 7.57 C ATOM 1729 NZ LYS A 104 -0.980 19.546 -6.920 1.00 8.00 N ATOM 0 H LYS A 104 -2.949 13.390 -10.482 1.00 6.73 H new ATOM 0 HA LYS A 104 -1.380 15.554 -11.476 1.00 6.37 H new ATOM 0 HB2 LYS A 104 -2.272 16.604 -9.392 1.00 6.44 H new ATOM 0 HB3 LYS A 104 -1.633 15.268 -8.455 1.00 6.44 H new ATOM 0 HG2 LYS A 104 0.671 15.861 -9.181 1.00 6.74 H new ATOM 0 HG3 LYS A 104 0.032 17.197 -10.117 1.00 6.74 H new ATOM 0 HD2 LYS A 104 -0.358 16.893 -7.113 1.00 7.08 H new ATOM 0 HD3 LYS A 104 0.928 17.835 -7.839 1.00 7.08 H new ATOM 0 HE2 LYS A 104 -0.770 19.244 -9.005 1.00 7.57 H new ATOM 0 HE3 LYS A 104 -2.051 18.307 -8.262 1.00 7.57 H new ATOM 0 HZ1 LYS A 104 -1.623 20.352 -7.053 1.00 8.00 H new ATOM 0 HZ2 LYS A 104 -1.271 19.006 -6.080 1.00 8.00 H new ATOM 0 HZ3 LYS A 104 -0.009 19.895 -6.788 1.00 8.00 H new ATOM 1743 N PRO A 105 0.109 13.506 -11.642 1.00 5.95 N ATOM 1744 CA PRO A 105 1.154 12.481 -11.688 1.00 5.79 C ATOM 1745 C PRO A 105 2.491 12.998 -11.156 1.00 5.46 C ATOM 1746 O PRO A 105 3.200 12.292 -10.439 1.00 5.28 O ATOM 1747 CB PRO A 105 1.256 12.143 -13.176 1.00 6.33 C ATOM 1748 CG PRO A 105 0.796 13.373 -13.889 1.00 6.61 C ATOM 1749 CD PRO A 105 -0.188 14.062 -12.978 1.00 6.47 C ATOM 0 HA PRO A 105 0.914 11.621 -11.063 1.00 5.79 H new ATOM 0 HB2 PRO A 105 2.279 11.887 -13.452 1.00 6.33 H new ATOM 0 HB3 PRO A 105 0.633 11.285 -13.429 1.00 6.33 H new ATOM 0 HG2 PRO A 105 1.638 14.027 -14.114 1.00 6.61 H new ATOM 0 HG3 PRO A 105 0.329 13.117 -14.840 1.00 6.61 H new ATOM 0 HD2 PRO A 105 -0.059 15.144 -12.997 1.00 6.47 H new ATOM 0 HD3 PRO A 105 -1.217 13.858 -13.275 1.00 6.47 H new ATOM 1757 N ARG A 106 2.820 14.239 -11.513 1.00 5.56 N ATOM 1758 CA ARG A 106 4.060 14.875 -11.078 1.00 5.43 C ATOM 1759 C ARG A 106 3.813 16.336 -10.720 1.00 5.72 C ATOM 1760 O ARG A 106 3.898 16.723 -9.554 1.00 6.01 O ATOM 1761 CB ARG A 106 5.125 14.783 -12.178 1.00 5.69 C ATOM 1762 CG ARG A 106 5.887 13.464 -12.200 1.00 6.20 C ATOM 1763 CD ARG A 106 6.901 13.376 -11.068 1.00 6.57 C ATOM 1764 NE ARG A 106 6.287 12.973 -9.803 1.00 6.84 N ATOM 1765 CZ ARG A 106 6.976 12.721 -8.692 1.00 7.39 C ATOM 1766 NH1 ARG A 106 8.297 12.850 -8.678 1.00 7.71 N ATOM 1767 NH2 ARG A 106 6.342 12.344 -7.591 1.00 7.84 N ATOM 0 H ARG A 106 2.237 14.828 -12.108 1.00 5.56 H new ATOM 0 HA ARG A 106 4.420 14.350 -10.193 1.00 5.43 H new ATOM 0 HB2 ARG A 106 4.645 14.929 -13.146 1.00 5.69 H new ATOM 0 HB3 ARG A 106 5.836 15.599 -12.049 1.00 5.69 H new ATOM 0 HG2 ARG A 106 5.182 12.636 -12.121 1.00 6.20 H new ATOM 0 HG3 ARG A 106 6.400 13.357 -13.156 1.00 6.20 H new ATOM 0 HD2 ARG A 106 7.680 12.662 -11.335 1.00 6.57 H new ATOM 0 HD3 ARG A 106 7.386 14.344 -10.942 1.00 6.57 H new ATOM 0 HE ARG A 106 5.272 12.880 -9.770 1.00 6.84 H new ATOM 0 HH11 ARG A 106 8.790 13.144 -9.521 1.00 7.71 H new ATOM 0 HH12 ARG A 106 8.819 12.656 -7.824 1.00 7.71 H new ATOM 0 HH21 ARG A 106 5.327 12.247 -7.595 1.00 7.84 H new ATOM 0 HH22 ARG A 106 6.869 12.151 -6.740 1.00 7.84 H new ATOM 1781 N LYS A 107 3.507 17.142 -11.735 1.00 5.92 N ATOM 1782 CA LYS A 107 3.245 18.564 -11.539 1.00 6.42 C ATOM 1783 C LYS A 107 1.853 18.934 -12.043 1.00 6.87 C ATOM 1784 O LYS A 107 0.947 19.106 -11.201 1.00 7.06 O ATOM 1785 CB LYS A 107 4.302 19.403 -12.259 1.00 6.74 C ATOM 1786 CG LYS A 107 5.691 19.281 -11.650 1.00 7.12 C ATOM 1787 CD LYS A 107 6.751 19.925 -12.531 1.00 7.73 C ATOM 1788 CE LYS A 107 7.051 19.077 -13.759 1.00 8.18 C ATOM 1789 NZ LYS A 107 7.579 17.734 -13.394 1.00 8.47 N ATOM 1790 OXT LYS A 107 1.679 19.042 -13.275 1.00 7.27 O ATOM 0 H LYS A 107 3.435 16.832 -12.704 1.00 5.92 H new ATOM 0 HA LYS A 107 3.293 18.774 -10.470 1.00 6.42 H new ATOM 0 HB2 LYS A 107 4.345 19.100 -13.305 1.00 6.74 H new ATOM 0 HB3 LYS A 107 3.997 20.449 -12.243 1.00 6.74 H new ATOM 0 HG2 LYS A 107 5.700 19.752 -10.667 1.00 7.12 H new ATOM 0 HG3 LYS A 107 5.932 18.228 -11.501 1.00 7.12 H new ATOM 0 HD2 LYS A 107 6.413 20.913 -12.844 1.00 7.73 H new ATOM 0 HD3 LYS A 107 7.665 20.068 -11.955 1.00 7.73 H new ATOM 0 HE2 LYS A 107 6.143 18.961 -14.350 1.00 8.18 H new ATOM 0 HE3 LYS A 107 7.777 19.593 -14.388 1.00 8.18 H new ATOM 0 HZ1 LYS A 107 8.446 17.543 -13.936 1.00 8.47 H new ATOM 0 HZ2 LYS A 107 7.794 17.710 -12.377 1.00 8.47 H new ATOM 0 HZ3 LYS A 107 6.866 17.009 -13.614 1.00 8.47 H new TER 1804 LYS A 107 ATOM 1805 OP3 DT B 1 -6.722 -25.966 -6.008 1.00 2.61 O ATOM 1806 P DT B 1 -6.870 -26.466 -7.514 1.00 2.20 P ATOM 1807 OP1 DT B 1 -5.550 -26.321 -8.179 1.00 2.80 O ATOM 1808 OP2 DT B 1 -7.543 -27.791 -7.500 1.00 2.56 O ATOM 1809 O5' DT B 1 -7.874 -25.398 -8.144 1.00 2.08 O ATOM 1810 C5' DT B 1 -8.771 -25.770 -9.192 1.00 2.25 C ATOM 1811 C4' DT B 1 -9.309 -24.545 -9.895 1.00 2.22 C ATOM 1812 O4' DT B 1 -10.269 -23.905 -9.007 1.00 2.06 O ATOM 1813 C3' DT B 1 -8.213 -23.496 -10.132 1.00 2.18 C ATOM 1814 O3' DT B 1 -8.495 -22.564 -11.199 1.00 2.29 O ATOM 1815 C2' DT B 1 -8.227 -22.709 -8.834 1.00 1.96 C ATOM 1816 C1' DT B 1 -9.701 -22.714 -8.484 1.00 1.91 C ATOM 1817 N1 DT B 1 -10.024 -22.554 -7.047 1.00 1.72 N ATOM 1818 C2 DT B 1 -10.706 -21.393 -6.744 1.00 1.61 C ATOM 1819 O2 DT B 1 -11.106 -20.615 -7.595 1.00 1.71 O ATOM 1820 N3 DT B 1 -10.910 -21.171 -5.412 1.00 1.49 N ATOM 1821 C4 DT B 1 -10.532 -21.973 -4.366 1.00 1.49 C ATOM 1822 O4 DT B 1 -10.689 -21.564 -3.209 1.00 1.48 O ATOM 1823 C5 DT B 1 -9.862 -23.212 -4.747 1.00 1.64 C ATOM 1824 C7 DT B 1 -9.433 -24.163 -3.675 1.00 1.78 C ATOM 1825 C6 DT B 1 -9.643 -23.443 -6.058 1.00 1.74 C ATOM 0 H5' DT B 1 -9.596 -26.352 -8.782 1.00 2.25 H new ATOM 0 H5'' DT B 1 -8.256 -26.410 -9.909 1.00 2.25 H new ATOM 0 H4' DT B 1 -9.733 -24.868 -10.846 1.00 2.22 H new ATOM 0 H3' DT B 1 -7.279 -23.985 -10.408 1.00 2.18 H new ATOM 0 H2' DT B 1 -7.622 -23.184 -8.062 1.00 1.96 H new ATOM 0 H2'' DT B 1 -7.841 -21.698 -8.965 1.00 1.96 H new ATOM 0 H1' DT B 1 -10.135 -21.823 -8.938 1.00 1.91 H new ATOM 0 H3 DT B 1 -11.399 -20.310 -5.167 1.00 1.49 H new ATOM 0 H71 DT B 1 -9.458 -25.182 -4.061 1.00 1.78 H new ATOM 0 H72 DT B 1 -8.419 -23.920 -3.357 1.00 1.78 H new ATOM 0 H73 DT B 1 -10.109 -24.081 -2.824 1.00 1.78 H new ATOM 0 H6 DT B 1 -9.150 -24.359 -6.347 1.00 1.74 H new ATOM 1839 P DA B 2 -7.445 -21.339 -11.467 1.00 2.27 P ATOM 1840 OP1 DA B 2 -7.463 -20.780 -12.835 1.00 2.47 O ATOM 1841 OP2 DA B 2 -6.141 -21.864 -10.995 1.00 2.19 O ATOM 1842 O5' DA B 2 -7.988 -20.259 -10.428 1.00 2.12 O ATOM 1843 C5' DA B 2 -9.393 -19.902 -10.461 1.00 2.18 C ATOM 1844 C4' DA B 2 -9.559 -18.443 -10.102 1.00 2.16 C ATOM 1845 O4' DA B 2 -9.510 -18.312 -8.645 1.00 1.98 O ATOM 1846 C3' DA B 2 -8.473 -17.493 -10.601 1.00 2.19 C ATOM 1847 O3' DA B 2 -8.939 -16.150 -10.705 1.00 2.28 O ATOM 1848 C2' DA B 2 -7.421 -17.575 -9.507 1.00 1.97 C ATOM 1849 C1' DA B 2 -8.277 -17.740 -8.257 1.00 1.86 C ATOM 1850 N9 DA B 2 -7.667 -18.627 -7.227 1.00 1.69 N ATOM 1851 C8 DA B 2 -6.940 -19.770 -7.416 1.00 1.68 C ATOM 1852 N7 DA B 2 -6.548 -20.326 -6.310 1.00 1.57 N ATOM 1853 C5 DA B 2 -7.038 -19.486 -5.326 1.00 1.48 C ATOM 1854 C6 DA B 2 -6.962 -19.525 -3.918 1.00 1.40 C ATOM 1855 N6 DA B 2 -6.319 -20.492 -3.244 1.00 1.38 N ATOM 1856 N1 DA B 2 -7.569 -18.539 -3.239 1.00 1.40 N ATOM 1857 C2 DA B 2 -8.202 -17.586 -3.917 1.00 1.49 C ATOM 1858 N3 DA B 2 -8.350 -17.441 -5.216 1.00 1.58 N ATOM 1859 C4 DA B 2 -7.734 -18.445 -5.870 1.00 1.56 C ATOM 0 H5' DA B 2 -9.952 -20.524 -9.762 1.00 2.18 H new ATOM 0 H5'' DA B 2 -9.802 -20.091 -11.453 1.00 2.18 H new ATOM 0 H4' DA B 2 -10.500 -18.164 -10.577 1.00 2.16 H new ATOM 0 H3' DA B 2 -8.119 -17.765 -11.596 1.00 2.19 H new ATOM 0 H2' DA B 2 -6.745 -18.418 -9.653 1.00 1.97 H new ATOM 0 H2'' DA B 2 -6.805 -16.676 -9.464 1.00 1.97 H new ATOM 0 H1' DA B 2 -8.387 -16.752 -7.810 1.00 1.86 H new ATOM 0 H8 DA B 2 -6.713 -20.172 -8.392 1.00 1.68 H new ATOM 0 H61 DA B 2 -6.294 -20.473 -2.224 1.00 1.38 H new ATOM 0 H62 DA B 2 -5.855 -21.246 -3.752 1.00 1.38 H new ATOM 0 H2 DA B 2 -8.662 -16.818 -3.312 1.00 1.49 H new ATOM 1871 P DC B 3 -7.892 -14.950 -10.616 1.00 2.25 P ATOM 1872 OP1 DC B 3 -8.357 -13.821 -11.445 1.00 2.46 O ATOM 1873 OP2 DC B 3 -6.535 -15.462 -10.919 1.00 2.18 O ATOM 1874 O5' DC B 3 -7.981 -14.566 -9.070 1.00 2.07 O ATOM 1875 C5' DC B 3 -9.288 -14.417 -8.463 1.00 2.12 C ATOM 1876 C4' DC B 3 -9.243 -13.337 -7.408 1.00 2.08 C ATOM 1877 O4' DC B 3 -8.681 -13.902 -6.182 1.00 1.87 O ATOM 1878 C3' DC B 3 -8.352 -12.132 -7.710 1.00 2.12 C ATOM 1879 O3' DC B 3 -8.755 -10.972 -6.988 1.00 2.20 O ATOM 1880 C2' DC B 3 -6.991 -12.586 -7.208 1.00 1.90 C ATOM 1881 C1' DC B 3 -7.362 -13.429 -5.995 1.00 1.76 C ATOM 1882 N1 DC B 3 -6.480 -14.609 -5.792 1.00 1.58 N ATOM 1883 C2 DC B 3 -6.151 -14.959 -4.485 1.00 1.43 C ATOM 1884 O2 DC B 3 -6.597 -14.278 -3.552 1.00 1.46 O ATOM 1885 N3 DC B 3 -5.346 -16.032 -4.280 1.00 1.31 N ATOM 1886 C4 DC B 3 -4.878 -16.747 -5.309 1.00 1.34 C ATOM 1887 N4 DC B 3 -4.100 -17.786 -5.051 1.00 1.29 N ATOM 1888 C5 DC B 3 -5.197 -16.405 -6.661 1.00 1.50 C ATOM 1889 C6 DC B 3 -6.009 -15.326 -6.844 1.00 1.61 C ATOM 0 H5' DC B 3 -9.601 -15.361 -8.017 1.00 2.12 H new ATOM 0 H5'' DC B 3 -10.026 -14.164 -9.224 1.00 2.12 H new ATOM 0 H4' DC B 3 -10.275 -12.992 -7.345 1.00 2.08 H new ATOM 0 H3' DC B 3 -8.382 -11.854 -8.764 1.00 2.12 H new ATOM 0 H2' DC B 3 -6.453 -13.166 -7.958 1.00 1.90 H new ATOM 0 H2'' DC B 3 -6.354 -11.743 -6.939 1.00 1.90 H new ATOM 0 H1' DC B 3 -7.255 -12.792 -5.117 1.00 1.76 H new ATOM 0 H41 DC B 3 -3.730 -18.348 -5.817 1.00 1.29 H new ATOM 0 H42 DC B 3 -3.871 -18.024 -4.086 1.00 1.29 H new ATOM 0 H5 DC B 3 -4.813 -16.974 -7.495 1.00 1.50 H new ATOM 0 H6 DC B 3 -6.284 -15.035 -7.847 1.00 1.61 H new ATOM 1901 P DA B 4 -7.684 -9.833 -6.677 1.00 2.17 P ATOM 1902 OP1 DA B 4 -8.349 -8.515 -6.648 1.00 2.39 O ATOM 1903 OP2 DA B 4 -6.544 -9.963 -7.618 1.00 2.13 O ATOM 1904 O5' DA B 4 -7.206 -10.237 -5.210 1.00 1.97 O ATOM 1905 C5' DA B 4 -8.209 -10.562 -4.216 1.00 2.00 C ATOM 1906 C4' DA B 4 -7.743 -10.110 -2.851 1.00 1.94 C ATOM 1907 O4' DA B 4 -6.817 -11.110 -2.318 1.00 1.72 O ATOM 1908 C3' DA B 4 -6.952 -8.803 -2.804 1.00 1.99 C ATOM 1909 O3' DA B 4 -7.018 -8.181 -1.523 1.00 2.06 O ATOM 1910 C2' DA B 4 -5.527 -9.260 -3.068 1.00 1.77 C ATOM 1911 C1' DA B 4 -5.493 -10.616 -2.371 1.00 1.61 C ATOM 1912 N9 DA B 4 -4.658 -11.628 -3.071 1.00 1.44 N ATOM 1913 C8 DA B 4 -4.511 -11.822 -4.417 1.00 1.47 C ATOM 1914 N7 DA B 4 -3.708 -12.799 -4.719 1.00 1.33 N ATOM 1915 C5 DA B 4 -3.288 -13.271 -3.489 1.00 1.19 C ATOM 1916 C6 DA B 4 -2.415 -14.316 -3.119 1.00 1.06 C ATOM 1917 N6 DA B 4 -1.782 -15.093 -4.013 1.00 1.05 N ATOM 1918 N1 DA B 4 -2.223 -14.525 -1.808 1.00 1.02 N ATOM 1919 C2 DA B 4 -2.855 -13.750 -0.932 1.00 1.11 C ATOM 1920 N3 DA B 4 -3.691 -12.757 -1.146 1.00 1.24 N ATOM 1921 C4 DA B 4 -3.865 -12.571 -2.468 1.00 1.26 C ATOM 0 H5' DA B 4 -8.393 -11.636 -4.210 1.00 2.00 H new ATOM 0 H5'' DA B 4 -9.153 -10.078 -4.467 1.00 2.00 H new ATOM 0 H4' DA B 4 -8.669 -9.970 -2.292 1.00 1.94 H new ATOM 0 H3' DA B 4 -7.334 -8.068 -3.513 1.00 1.99 H new ATOM 0 H2' DA B 4 -5.317 -9.344 -4.134 1.00 1.77 H new ATOM 0 H2'' DA B 4 -4.794 -8.569 -2.652 1.00 1.77 H new ATOM 0 H1' DA B 4 -5.054 -10.460 -1.386 1.00 1.61 H new ATOM 0 H8 DA B 4 -5.015 -11.220 -5.159 1.00 1.47 H new ATOM 0 H61 DA B 4 -1.161 -15.836 -3.693 1.00 1.05 H new ATOM 0 H62 DA B 4 -1.923 -14.940 -5.012 1.00 1.05 H new ATOM 0 H2 DA B 4 -2.653 -13.967 0.106 1.00 1.11 H new ATOM 1933 P DA B 5 -5.847 -7.196 -1.073 1.00 2.04 P ATOM 1934 OP1 DA B 5 -6.392 -6.145 -0.189 1.00 2.25 O ATOM 1935 OP2 DA B 5 -5.117 -6.721 -2.272 1.00 2.01 O ATOM 1936 O5' DA B 5 -4.908 -8.180 -0.236 1.00 1.83 O ATOM 1937 C5' DA B 5 -5.516 -9.060 0.740 1.00 1.84 C ATOM 1938 C4' DA B 5 -4.580 -9.248 1.912 1.00 1.79 C ATOM 1939 O4' DA B 5 -3.579 -10.255 1.554 1.00 1.56 O ATOM 1940 C3' DA B 5 -3.757 -8.029 2.324 1.00 1.85 C ATOM 1941 O3' DA B 5 -3.338 -8.099 3.685 1.00 1.93 O ATOM 1942 C2' DA B 5 -2.539 -8.123 1.420 1.00 1.64 C ATOM 1943 C1' DA B 5 -2.334 -9.629 1.314 1.00 1.47 C ATOM 1944 N9 DA B 5 -1.850 -10.076 -0.018 1.00 1.29 N ATOM 1945 C8 DA B 5 -2.192 -9.592 -1.251 1.00 1.33 C ATOM 1946 N7 DA B 5 -1.597 -10.201 -2.234 1.00 1.20 N ATOM 1947 C5 DA B 5 -0.797 -11.137 -1.606 1.00 1.03 C ATOM 1948 C6 DA B 5 0.094 -12.112 -2.102 1.00 0.89 C ATOM 1949 N6 DA B 5 0.334 -12.288 -3.411 1.00 0.91 N ATOM 1950 N1 DA B 5 0.721 -12.890 -1.205 1.00 0.84 N ATOM 1951 C2 DA B 5 0.474 -12.706 0.090 1.00 0.93 C ATOM 1952 N3 DA B 5 -0.330 -11.845 0.672 1.00 1.07 N ATOM 1953 C4 DA B 5 -0.944 -11.083 -0.250 1.00 1.10 C ATOM 0 H5' DA B 5 -5.741 -10.024 0.284 1.00 1.84 H new ATOM 0 H5'' DA B 5 -6.462 -8.641 1.082 1.00 1.84 H new ATOM 0 H4' DA B 5 -5.244 -9.506 2.737 1.00 1.79 H new ATOM 0 H3' DA B 5 -4.324 -7.103 2.232 1.00 1.85 H new ATOM 0 H2' DA B 5 -2.718 -7.667 0.446 1.00 1.64 H new ATOM 0 H2'' DA B 5 -1.672 -7.623 1.852 1.00 1.64 H new ATOM 0 H1' DA B 5 -1.570 -9.901 2.042 1.00 1.47 H new ATOM 0 H8 DA B 5 -2.890 -8.781 -1.395 1.00 1.33 H new ATOM 0 H61 DA B 5 0.988 -13.008 -3.717 1.00 0.91 H new ATOM 0 H62 DA B 5 -0.138 -11.702 -4.099 1.00 0.91 H new ATOM 0 H2 DA B 5 1.013 -13.360 0.760 1.00 0.93 H new ATOM 1965 P DT B 6 -2.034 -7.302 4.143 1.00 1.92 P ATOM 1966 OP1 DT B 6 -2.181 -6.872 5.549 1.00 2.14 O ATOM 1967 OP2 DT B 6 -1.747 -6.229 3.162 1.00 1.89 O ATOM 1968 O5' DT B 6 -0.916 -8.434 4.033 1.00 1.71 O ATOM 1969 C5' DT B 6 -1.189 -9.742 4.597 1.00 1.72 C ATOM 1970 C4' DT B 6 0.087 -10.337 5.146 1.00 1.68 C ATOM 1971 O4' DT B 6 0.845 -10.919 4.038 1.00 1.45 O ATOM 1972 C3' DT B 6 1.065 -9.364 5.800 1.00 1.76 C ATOM 1973 O3' DT B 6 1.929 -10.011 6.731 1.00 1.86 O ATOM 1974 C2' DT B 6 1.884 -8.862 4.622 1.00 1.55 C ATOM 1975 C1' DT B 6 1.960 -10.100 3.738 1.00 1.36 C ATOM 1976 N1 DT B 6 1.924 -9.800 2.282 1.00 1.16 N ATOM 1977 C2 DT B 6 2.722 -10.571 1.459 1.00 0.98 C ATOM 1978 O2 DT B 6 3.432 -11.465 1.880 1.00 0.99 O ATOM 1979 N3 DT B 6 2.657 -10.259 0.117 1.00 0.85 N ATOM 1980 C4 DT B 6 1.892 -9.272 -0.461 1.00 0.93 C ATOM 1981 O4 DT B 6 1.918 -9.084 -1.684 1.00 0.91 O ATOM 1982 C5 DT B 6 1.096 -8.515 0.475 1.00 1.14 C ATOM 1983 C7 DT B 6 0.240 -7.433 -0.112 1.00 1.31 C ATOM 1984 C6 DT B 6 1.129 -8.795 1.793 1.00 1.23 C ATOM 0 H5' DT B 6 -1.608 -10.397 3.834 1.00 1.72 H new ATOM 0 H5'' DT B 6 -1.933 -9.659 5.389 1.00 1.72 H new ATOM 0 H4' DT B 6 -0.259 -11.035 5.909 1.00 1.68 H new ATOM 0 H3' DT B 6 0.549 -8.586 6.363 1.00 1.76 H new ATOM 0 H2' DT B 6 1.400 -8.028 4.115 1.00 1.55 H new ATOM 0 H2'' DT B 6 2.872 -8.519 4.929 1.00 1.55 H new ATOM 0 H1' DT B 6 2.915 -10.583 3.945 1.00 1.36 H new ATOM 0 H3 DT B 6 3.235 -10.817 -0.511 1.00 0.85 H new ATOM 0 H71 DT B 6 0.715 -7.041 -1.011 1.00 1.31 H new ATOM 0 H72 DT B 6 -0.738 -7.841 -0.367 1.00 1.31 H new ATOM 0 H73 DT B 6 0.120 -6.630 0.615 1.00 1.31 H new ATOM 0 H6 DT B 6 0.520 -8.219 2.474 1.00 1.23 H new ATOM 1997 P DA B 7 3.349 -9.367 7.059 1.00 1.87 P ATOM 1998 OP1 DA B 7 3.724 -9.671 8.454 1.00 2.11 O ATOM 1999 OP2 DA B 7 3.330 -7.929 6.692 1.00 1.84 O ATOM 2000 O5' DA B 7 4.299 -10.158 6.053 1.00 1.65 O ATOM 2001 C5' DA B 7 4.173 -11.600 5.965 1.00 1.65 C ATOM 2002 C4' DA B 7 5.527 -12.215 5.700 1.00 1.62 C ATOM 2003 O4' DA B 7 5.819 -12.104 4.270 1.00 1.37 O ATOM 2004 C3' DA B 7 6.721 -11.550 6.381 1.00 1.73 C ATOM 2005 O3' DA B 7 7.822 -12.441 6.536 1.00 1.83 O ATOM 2006 C2' DA B 7 7.102 -10.452 5.401 1.00 1.51 C ATOM 2007 C1' DA B 7 6.800 -11.106 4.058 1.00 1.30 C ATOM 2008 N9 DA B 7 6.274 -10.162 3.036 1.00 1.09 N ATOM 2009 C8 DA B 7 5.416 -9.110 3.214 1.00 1.14 C ATOM 2010 N7 DA B 7 5.137 -8.474 2.116 1.00 0.99 N ATOM 2011 C5 DA B 7 5.872 -9.141 1.152 1.00 0.80 C ATOM 2012 C6 DA B 7 6.008 -8.951 -0.238 1.00 0.64 C ATOM 2013 N6 DA B 7 5.381 -7.973 -0.911 1.00 0.69 N ATOM 2014 N1 DA B 7 6.809 -9.799 -0.902 1.00 0.57 N ATOM 2015 C2 DA B 7 7.427 -10.763 -0.225 1.00 0.68 C ATOM 2016 N3 DA B 7 7.378 -11.047 1.058 1.00 0.84 N ATOM 2017 C4 DA B 7 6.568 -10.182 1.696 1.00 0.88 C ATOM 0 H5' DA B 7 3.480 -11.866 5.167 1.00 1.65 H new ATOM 0 H5'' DA B 7 3.759 -11.996 6.892 1.00 1.65 H new ATOM 0 H4' DA B 7 5.433 -13.228 6.092 1.00 1.62 H new ATOM 0 H3' DA B 7 6.474 -11.204 7.385 1.00 1.73 H new ATOM 0 H2' DA B 7 6.515 -9.546 5.555 1.00 1.51 H new ATOM 0 H2'' DA B 7 8.151 -10.171 5.491 1.00 1.51 H new ATOM 0 H1' DA B 7 7.741 -11.504 3.677 1.00 1.30 H new ATOM 0 H8 DA B 7 5.010 -8.835 4.176 1.00 1.14 H new ATOM 0 H61 DA B 7 5.515 -7.880 -1.918 1.00 0.69 H new ATOM 0 H62 DA B 7 4.771 -7.323 -0.415 1.00 0.69 H new ATOM 0 H2 DA B 7 8.062 -11.407 -0.816 1.00 0.68 H new ATOM 2029 P DT B 8 9.299 -11.853 6.647 1.00 1.86 P ATOM 2030 OP1 DT B 8 10.121 -12.727 7.505 1.00 2.10 O ATOM 2031 OP2 DT B 8 9.225 -10.428 7.053 1.00 1.84 O ATOM 2032 O5' DT B 8 9.794 -11.948 5.134 1.00 1.63 O ATOM 2033 C5' DT B 8 9.572 -13.181 4.404 1.00 1.61 C ATOM 2034 C4' DT B 8 10.713 -13.420 3.444 1.00 1.57 C ATOM 2035 O4' DT B 8 10.493 -12.612 2.246 1.00 1.32 O ATOM 2036 C3' DT B 8 12.102 -13.007 3.928 1.00 1.70 C ATOM 2037 O3' DT B 8 13.140 -13.717 3.257 1.00 1.78 O ATOM 2038 C2' DT B 8 12.174 -11.539 3.540 1.00 1.49 C ATOM 2039 C1' DT B 8 11.389 -11.515 2.236 1.00 1.26 C ATOM 2040 N1 DT B 8 10.588 -10.277 2.039 1.00 1.06 N ATOM 2041 C2 DT B 8 10.515 -9.769 0.758 1.00 0.85 C ATOM 2042 O2 DT B 8 11.071 -10.292 -0.191 1.00 0.85 O ATOM 2043 N3 DT B 8 9.759 -8.621 0.622 1.00 0.71 N ATOM 2044 C4 DT B 8 9.094 -7.952 1.624 1.00 0.82 C ATOM 2045 O4 DT B 8 8.448 -6.928 1.380 1.00 0.80 O ATOM 2046 C5 DT B 8 9.232 -8.553 2.928 1.00 1.04 C ATOM 2047 C7 DT B 8 8.516 -7.860 4.049 1.00 1.22 C ATOM 2048 C6 DT B 8 9.955 -9.676 3.099 1.00 1.14 C ATOM 0 H5' DT B 8 8.630 -13.126 3.858 1.00 1.61 H new ATOM 0 H5'' DT B 8 9.489 -14.016 5.099 1.00 1.61 H new ATOM 0 H4' DT B 8 10.710 -14.500 3.298 1.00 1.57 H new ATOM 0 H3' DT B 8 12.238 -13.208 4.991 1.00 1.70 H new ATOM 0 H2' DT B 8 11.727 -10.895 4.297 1.00 1.49 H new ATOM 0 H2'' DT B 8 13.202 -11.203 3.403 1.00 1.49 H new ATOM 0 H1' DT B 8 12.116 -11.562 1.425 1.00 1.26 H new ATOM 0 H3 DT B 8 9.686 -8.229 -0.317 1.00 0.71 H new ATOM 0 H71 DT B 8 8.457 -6.792 3.838 1.00 1.22 H new ATOM 0 H72 DT B 8 7.509 -8.267 4.144 1.00 1.22 H new ATOM 0 H73 DT B 8 9.060 -8.017 4.980 1.00 1.22 H new ATOM 0 H6 DT B 8 10.038 -10.110 4.084 1.00 1.14 H new ATOM 2061 P DA B 9 14.590 -13.067 3.148 1.00 1.82 P ATOM 2062 OP1 DA B 9 15.616 -14.132 3.146 1.00 2.06 O ATOM 2063 OP2 DA B 9 14.740 -12.025 4.191 1.00 1.83 O ATOM 2064 O5' DA B 9 14.521 -12.374 1.713 1.00 1.59 O ATOM 2065 C5' DA B 9 13.995 -13.135 0.597 1.00 1.55 C ATOM 2066 C4' DA B 9 14.716 -12.744 -0.674 1.00 1.52 C ATOM 2067 O4' DA B 9 14.133 -11.501 -1.179 1.00 1.27 O ATOM 2068 C3' DA B 9 16.206 -12.434 -0.540 1.00 1.65 C ATOM 2069 O3' DA B 9 16.904 -12.607 -1.769 1.00 1.73 O ATOM 2070 C2' DA B 9 16.212 -10.962 -0.162 1.00 1.46 C ATOM 2071 C1' DA B 9 15.023 -10.427 -0.951 1.00 1.23 C ATOM 2072 N9 DA B 9 14.269 -9.356 -0.244 1.00 1.04 N ATOM 2073 C8 DA B 9 13.992 -9.254 1.093 1.00 1.11 C ATOM 2074 N7 DA B 9 13.302 -8.197 1.402 1.00 0.98 N ATOM 2075 C5 DA B 9 13.125 -7.551 0.191 1.00 0.79 C ATOM 2076 C6 DA B 9 12.466 -6.356 -0.162 1.00 0.64 C ATOM 2077 N6 DA B 9 11.847 -5.567 0.734 1.00 0.71 N ATOM 2078 N1 DA B 9 12.469 -6.007 -1.457 1.00 0.57 N ATOM 2079 C2 DA B 9 13.085 -6.795 -2.333 1.00 0.66 C ATOM 2080 N3 DA B 9 13.725 -7.926 -2.134 1.00 0.79 N ATOM 2081 C4 DA B 9 13.704 -8.251 -0.829 1.00 0.84 C ATOM 0 H5' DA B 9 12.926 -12.951 0.491 1.00 1.55 H new ATOM 0 H5'' DA B 9 14.118 -14.202 0.782 1.00 1.55 H new ATOM 0 H4' DA B 9 14.606 -13.618 -1.316 1.00 1.52 H new ATOM 0 H3' DA B 9 16.697 -13.092 0.177 1.00 1.65 H new ATOM 0 H2' DA B 9 16.089 -10.816 0.911 1.00 1.46 H new ATOM 0 H2'' DA B 9 17.143 -10.472 -0.445 1.00 1.46 H new ATOM 0 H1' DA B 9 15.417 -9.994 -1.871 1.00 1.23 H new ATOM 0 H8 DA B 9 14.316 -9.983 1.821 1.00 1.11 H new ATOM 0 H61 DA B 9 11.384 -4.712 0.427 1.00 0.71 H new ATOM 0 H62 DA B 9 11.840 -5.824 1.721 1.00 0.71 H new ATOM 0 H2 DA B 9 13.055 -6.456 -3.358 1.00 0.66 H new ATOM 2093 P DA B 10 18.258 -11.801 -2.019 1.00 1.78 P ATOM 2094 OP1 DA B 10 19.161 -12.598 -2.874 1.00 2.00 O ATOM 2095 OP2 DA B 10 18.814 -11.364 -0.717 1.00 1.80 O ATOM 2096 O5' DA B 10 17.727 -10.530 -2.822 1.00 1.56 O ATOM 2097 C5' DA B 10 16.804 -10.733 -3.922 1.00 1.52 C ATOM 2098 C4' DA B 10 17.056 -9.703 -4.998 1.00 1.50 C ATOM 2099 O4' DA B 10 16.398 -8.454 -4.613 1.00 1.26 O ATOM 2100 C3' DA B 10 18.511 -9.305 -5.229 1.00 1.63 C ATOM 2101 O3' DA B 10 18.727 -8.785 -6.539 1.00 1.72 O ATOM 2102 C2' DA B 10 18.726 -8.196 -4.212 1.00 1.46 C ATOM 2103 C1' DA B 10 17.367 -7.512 -4.198 1.00 1.24 C ATOM 2104 N9 DA B 10 16.963 -7.006 -2.859 1.00 1.07 N ATOM 2105 C8 DA B 10 17.175 -7.581 -1.635 1.00 1.12 C ATOM 2106 N7 DA B 10 16.694 -6.893 -0.644 1.00 1.02 N ATOM 2107 C5 DA B 10 16.140 -5.781 -1.253 1.00 0.85 C ATOM 2108 C6 DA B 10 15.461 -4.657 -0.741 1.00 0.74 C ATOM 2109 N6 DA B 10 15.235 -4.470 0.572 1.00 0.81 N ATOM 2110 N1 DA B 10 15.027 -3.742 -1.621 1.00 0.69 N ATOM 2111 C2 DA B 10 15.256 -3.937 -2.917 1.00 0.76 C ATOM 2112 N3 DA B 10 15.867 -4.935 -3.515 1.00 0.86 N ATOM 2113 C4 DA B 10 16.285 -5.837 -2.609 1.00 0.89 C ATOM 0 H5' DA B 10 15.777 -10.656 -3.566 1.00 1.52 H new ATOM 0 H5'' DA B 10 16.926 -11.736 -4.330 1.00 1.52 H new ATOM 0 H4' DA B 10 16.685 -10.179 -5.905 1.00 1.50 H new ATOM 0 H3' DA B 10 19.185 -10.156 -5.129 1.00 1.63 H new ATOM 0 H2' DA B 10 18.995 -8.588 -3.231 1.00 1.46 H new ATOM 0 H2'' DA B 10 19.522 -7.515 -4.513 1.00 1.46 H new ATOM 0 H1' DA B 10 17.438 -6.650 -4.862 1.00 1.24 H new ATOM 0 H8 DA B 10 17.694 -8.519 -1.505 1.00 1.12 H new ATOM 0 H61 DA B 10 14.738 -3.638 0.891 1.00 0.81 H new ATOM 0 H62 DA B 10 15.561 -5.160 1.249 1.00 0.81 H new ATOM 0 H2 DA B 10 14.886 -3.163 -3.573 1.00 0.76 H new ATOM 2125 P DC B 11 19.948 -7.792 -6.797 1.00 1.78 P ATOM 2126 OP1 DC B 11 20.453 -7.970 -8.173 1.00 2.00 O ATOM 2127 OP2 DC B 11 20.946 -7.954 -5.714 1.00 1.79 O ATOM 2128 O5' DC B 11 19.235 -6.373 -6.655 1.00 1.58 O ATOM 2129 C5' DC B 11 17.978 -6.151 -7.339 1.00 1.55 C ATOM 2130 C4' DC B 11 17.891 -4.711 -7.794 1.00 1.54 C ATOM 2131 O4' DC B 11 17.474 -3.888 -6.659 1.00 1.33 O ATOM 2132 C3' DC B 11 19.193 -4.070 -8.266 1.00 1.68 C ATOM 2133 O3' DC B 11 18.964 -2.971 -9.147 1.00 1.78 O ATOM 2134 C2' DC B 11 19.806 -3.555 -6.976 1.00 1.51 C ATOM 2135 C1' DC B 11 18.575 -3.137 -6.184 1.00 1.31 C ATOM 2136 N1 DC B 11 18.691 -3.379 -4.720 1.00 1.14 N ATOM 2137 C2 DC B 11 18.137 -2.435 -3.858 1.00 1.00 C ATOM 2138 O2 DC B 11 17.581 -1.439 -4.338 1.00 1.03 O ATOM 2139 N3 DC B 11 18.234 -2.637 -2.520 1.00 0.91 N ATOM 2140 C4 DC B 11 18.845 -3.723 -2.033 1.00 0.98 C ATOM 2141 N4 DC B 11 18.907 -3.874 -0.720 1.00 1.00 N ATOM 2142 C5 DC B 11 19.424 -4.705 -2.897 1.00 1.14 C ATOM 2143 C6 DC B 11 19.312 -4.483 -4.234 1.00 1.20 C ATOM 0 H5' DC B 11 17.146 -6.383 -6.675 1.00 1.55 H new ATOM 0 H5'' DC B 11 17.897 -6.819 -8.197 1.00 1.55 H new ATOM 0 H4' DC B 11 17.203 -4.745 -8.638 1.00 1.54 H new ATOM 0 H3' DC B 11 19.816 -4.774 -8.819 1.00 1.68 H new ATOM 0 H2' DC B 11 20.380 -4.326 -6.461 1.00 1.51 H new ATOM 0 H2'' DC B 11 20.482 -2.718 -7.151 1.00 1.51 H new ATOM 0 H1' DC B 11 18.455 -2.063 -6.326 1.00 1.31 H new ATOM 0 H41 DC B 11 19.367 -4.693 -0.322 1.00 1.00 H new ATOM 0 H42 DC B 11 18.495 -3.172 -0.106 1.00 1.00 H new ATOM 0 H5 DC B 11 19.925 -5.579 -2.507 1.00 1.14 H new ATOM 0 H6 DC B 11 19.727 -5.202 -4.925 1.00 1.20 H new ATOM 2155 P DG B 12 20.066 -1.827 -9.275 1.00 1.84 P ATOM 2156 OP1 DG B 12 20.051 -1.269 -10.642 1.00 2.07 O ATOM 2157 OP2 DG B 12 21.371 -2.351 -8.804 1.00 1.85 O ATOM 2158 O5' DG B 12 19.523 -0.746 -8.236 1.00 1.66 O ATOM 2159 C5' DG B 12 18.119 -0.390 -8.270 1.00 1.64 C ATOM 2160 C4' DG B 12 17.953 1.068 -7.910 1.00 1.65 C ATOM 2161 O4' DG B 12 18.002 1.200 -6.454 1.00 1.44 O ATOM 2162 C3' DG B 12 19.039 2.020 -8.409 1.00 1.78 C ATOM 2163 O3' DG B 12 18.574 3.362 -8.513 1.00 1.89 O ATOM 2164 C2' DG B 12 20.091 1.937 -7.315 1.00 1.62 C ATOM 2165 C1' DG B 12 19.236 1.772 -6.065 1.00 1.43 C ATOM 2166 N9 DG B 12 19.844 0.887 -5.036 1.00 1.27 N ATOM 2167 C8 DG B 12 20.579 -0.269 -5.202 1.00 1.29 C ATOM 2168 N7 DG B 12 20.976 -0.816 -4.081 1.00 1.20 N ATOM 2169 C5 DG B 12 20.468 0.032 -3.094 1.00 1.09 C ATOM 2170 C6 DG B 12 20.569 -0.045 -1.686 1.00 1.04 C ATOM 2171 O6 DG B 12 21.137 -0.889 -0.994 1.00 1.08 O ATOM 2172 N1 DG B 12 19.906 1.029 -1.064 1.00 1.03 N ATOM 2173 C2 DG B 12 19.241 2.040 -1.728 1.00 1.08 C ATOM 2174 N2 DG B 12 18.676 2.976 -0.959 1.00 1.16 N ATOM 2175 N3 DG B 12 19.139 2.108 -3.054 1.00 1.15 N ATOM 2176 C4 DG B 12 19.772 1.076 -3.673 1.00 1.14 C ATOM 0 H5' DG B 12 17.559 -1.013 -7.572 1.00 1.64 H new ATOM 0 H5'' DG B 12 17.710 -0.578 -9.263 1.00 1.64 H new ATOM 0 H4' DG B 12 17.012 1.345 -8.384 1.00 1.65 H new ATOM 0 H3' DG B 12 19.392 1.749 -9.404 1.00 1.78 H new ATOM 0 H2' DG B 12 20.766 1.094 -7.462 1.00 1.62 H new ATOM 0 H2'' DG B 12 20.707 2.835 -7.272 1.00 1.62 H new ATOM 0 H1' DG B 12 19.128 2.760 -5.618 1.00 1.43 H new ATOM 0 H8 DG B 12 20.807 -0.686 -6.172 1.00 1.29 H new ATOM 0 H1 DG B 12 19.918 1.063 -0.045 1.00 1.03 H new ATOM 0 H21 DG B 12 18.169 3.751 -1.388 1.00 1.16 H new ATOM 0 H22 DG B 12 18.751 2.916 0.056 1.00 1.16 H new ATOM 2188 P DT B 13 19.620 4.563 -8.424 1.00 1.95 P ATOM 2189 OP1 DT B 13 19.155 5.691 -9.253 1.00 2.17 O ATOM 2190 OP2 DT B 13 20.978 4.051 -8.728 1.00 1.96 O ATOM 2191 O5' DT B 13 19.530 4.946 -6.878 1.00 1.78 O ATOM 2192 C5' DT B 13 18.223 5.093 -6.270 1.00 1.75 C ATOM 2193 C4' DT B 13 18.269 6.175 -5.216 1.00 1.76 C ATOM 2194 O4' DT B 13 18.831 5.610 -3.990 1.00 1.57 O ATOM 2195 C3' DT B 13 19.159 7.379 -5.518 1.00 1.89 C ATOM 2196 O3' DT B 13 18.758 8.540 -4.796 1.00 1.99 O ATOM 2197 C2' DT B 13 20.522 6.926 -5.016 1.00 1.75 C ATOM 2198 C1' DT B 13 20.151 6.083 -3.803 1.00 1.57 C ATOM 2199 N1 DT B 13 21.033 4.904 -3.600 1.00 1.42 N ATOM 2200 C2 DT B 13 21.351 4.569 -2.301 1.00 1.32 C ATOM 2201 O2 DT B 13 20.940 5.196 -1.340 1.00 1.35 O ATOM 2202 N3 DT B 13 22.170 3.466 -2.159 1.00 1.25 N ATOM 2203 C4 DT B 13 22.688 2.693 -3.172 1.00 1.28 C ATOM 2204 O4 DT B 13 23.416 1.726 -2.921 1.00 1.28 O ATOM 2205 C5 DT B 13 22.308 3.120 -4.496 1.00 1.39 C ATOM 2206 C7 DT B 13 22.843 2.302 -5.632 1.00 1.50 C ATOM 2207 C6 DT B 13 21.503 4.187 -4.673 1.00 1.45 C ATOM 0 H5' DT B 13 17.912 4.149 -5.822 1.00 1.75 H new ATOM 0 H5'' DT B 13 17.484 5.344 -7.031 1.00 1.75 H new ATOM 0 H4' DT B 13 17.237 6.521 -5.153 1.00 1.76 H new ATOM 0 H3' DT B 13 19.127 7.655 -6.572 1.00 1.89 H new ATOM 0 H2' DT B 13 21.061 6.347 -5.766 1.00 1.75 H new ATOM 0 H2'' DT B 13 21.158 7.769 -4.747 1.00 1.75 H new ATOM 0 H1' DT B 13 20.258 6.720 -2.925 1.00 1.57 H new ATOM 0 H3 DT B 13 22.416 3.197 -1.206 1.00 1.25 H new ATOM 0 H71 DT B 13 23.805 1.874 -5.350 1.00 1.50 H new ATOM 0 H72 DT B 13 22.143 1.500 -5.864 1.00 1.50 H new ATOM 0 H73 DT B 13 22.971 2.937 -6.509 1.00 1.50 H new ATOM 0 H6 DT B 13 21.224 4.482 -5.674 1.00 1.45 H new ATOM 2220 P DC B 14 19.829 9.679 -4.485 1.00 2.06 P ATOM 2221 OP1 DC B 14 19.162 10.997 -4.456 1.00 2.27 O ATOM 2222 OP2 DC B 14 20.968 9.550 -5.427 1.00 2.07 O ATOM 2223 O5' DC B 14 20.305 9.276 -3.018 1.00 1.90 O ATOM 2224 C5' DC B 14 19.302 8.950 -2.025 1.00 1.87 C ATOM 2225 C4' DC B 14 19.770 9.402 -0.660 1.00 1.89 C ATOM 2226 O4' DC B 14 20.694 8.402 -0.126 1.00 1.72 O ATOM 2227 C3' DC B 14 20.559 10.710 -0.612 1.00 2.02 C ATOM 2228 O3' DC B 14 20.495 11.331 0.668 1.00 2.12 O ATOM 2229 C2' DC B 14 21.986 10.252 -0.875 1.00 1.90 C ATOM 2230 C1' DC B 14 22.017 8.898 -0.179 1.00 1.74 C ATOM 2231 N1 DC B 14 22.855 7.885 -0.878 1.00 1.60 N ATOM 2232 C2 DC B 14 23.600 7.005 -0.098 1.00 1.52 C ATOM 2233 O2 DC B 14 23.543 7.103 1.134 1.00 1.56 O ATOM 2234 N3 DC B 14 24.370 6.077 -0.716 1.00 1.45 N ATOM 2235 C4 DC B 14 24.408 5.997 -2.053 1.00 1.46 C ATOM 2236 N4 DC B 14 25.174 5.068 -2.604 1.00 1.45 N ATOM 2237 C5 DC B 14 23.656 6.892 -2.876 1.00 1.55 C ATOM 2238 C6 DC B 14 22.889 7.812 -2.234 1.00 1.62 C ATOM 0 H5' DC B 14 19.118 7.876 -2.019 1.00 1.87 H new ATOM 0 H5'' DC B 14 18.358 9.434 -2.275 1.00 1.87 H new ATOM 0 H4' DC B 14 18.845 9.542 -0.101 1.00 1.89 H new ATOM 0 H3' DC B 14 20.175 11.445 -1.320 1.00 2.02 H new ATOM 0 H2' DC B 14 22.198 10.168 -1.941 1.00 1.90 H new ATOM 0 H2'' DC B 14 22.719 10.942 -0.458 1.00 1.90 H new ATOM 0 H1' DC B 14 22.453 9.055 0.807 1.00 1.74 H new ATOM 0 H41 DC B 14 25.223 4.983 -3.619 1.00 1.45 H new ATOM 0 H42 DC B 14 25.715 4.437 -2.013 1.00 1.45 H new ATOM 0 H5 DC B 14 23.695 6.840 -3.954 1.00 1.55 H new ATOM 0 H6 DC B 14 22.293 8.500 -2.815 1.00 1.62 H new ATOM 2250 P DG B 15 21.665 12.316 1.121 1.00 2.21 P ATOM 2251 OP1 DG B 15 21.120 13.366 2.003 1.00 2.40 O ATOM 2252 OP2 DG B 15 22.394 12.792 -0.080 1.00 2.21 O ATOM 2253 O5' DG B 15 22.603 11.333 1.955 1.00 2.07 O ATOM 2254 C5' DG B 15 21.995 10.452 2.933 1.00 2.04 C ATOM 2255 C4' DG B 15 22.932 10.264 4.103 1.00 2.08 C ATOM 2256 O4' DG B 15 23.933 9.258 3.746 1.00 1.93 O ATOM 2257 C3' DG B 15 23.755 11.482 4.516 1.00 2.21 C ATOM 2258 O3' DG B 15 24.175 11.414 5.876 1.00 2.32 O ATOM 2259 C2' DG B 15 24.973 11.390 3.612 1.00 2.10 C ATOM 2260 C1' DG B 15 25.178 9.884 3.505 1.00 1.95 C ATOM 2261 N9 DG B 15 25.663 9.437 2.175 1.00 1.82 N ATOM 2262 C8 DG B 15 25.331 9.907 0.919 1.00 1.80 C ATOM 2263 N7 DG B 15 25.942 9.294 -0.060 1.00 1.72 N ATOM 2264 C5 DG B 15 26.737 8.343 0.581 1.00 1.67 C ATOM 2265 C6 DG B 15 27.623 7.381 0.044 1.00 1.63 C ATOM 2266 O6 DG B 15 27.901 7.155 -1.134 1.00 1.62 O ATOM 2267 N1 DG B 15 28.230 6.618 1.055 1.00 1.65 N ATOM 2268 C2 DG B 15 28.009 6.778 2.408 1.00 1.72 C ATOM 2269 N2 DG B 15 28.687 5.956 3.218 1.00 1.80 N ATOM 2270 N3 DG B 15 27.170 7.678 2.914 1.00 1.77 N ATOM 2271 C4 DG B 15 26.570 8.424 1.951 1.00 1.73 C ATOM 0 H5' DG B 15 21.769 9.488 2.477 1.00 2.04 H new ATOM 0 H5'' DG B 15 21.049 10.872 3.276 1.00 2.04 H new ATOM 0 H4' DG B 15 22.268 10.005 4.927 1.00 2.08 H new ATOM 0 H3' DG B 15 23.186 12.407 4.425 1.00 2.21 H new ATOM 0 H2' DG B 15 24.794 11.847 2.639 1.00 2.10 H new ATOM 0 H2'' DG B 15 25.840 11.890 4.044 1.00 2.10 H new ATOM 0 HO3' DG B 15 24.699 12.212 6.097 1.00 2.32 H new ATOM 0 H1' DG B 15 25.942 9.612 4.233 1.00 1.95 H new ATOM 0 H8 DG B 15 24.628 10.711 0.760 1.00 1.80 H new ATOM 0 H1 DG B 15 28.884 5.890 0.767 1.00 1.65 H new ATOM 0 H21 DG B 15 28.568 6.023 4.229 1.00 1.80 H new ATOM 0 H22 DG B 15 29.323 5.262 2.824 1.00 1.80 H new TER 2284 DG B 15 ATOM 2285 OP3 DC C 16 35.736 2.830 -2.227 1.00 2.40 O ATOM 2286 P DC C 16 35.255 1.328 -2.002 1.00 2.45 P ATOM 2287 OP1 DC C 16 36.457 0.463 -1.895 1.00 2.66 O ATOM 2288 OP2 DC C 16 34.213 1.016 -3.013 1.00 2.37 O ATOM 2289 O5' DC C 16 34.561 1.393 -0.566 1.00 2.36 O ATOM 2290 C5' DC C 16 35.282 1.877 0.596 1.00 2.43 C ATOM 2291 C4' DC C 16 34.472 1.613 1.843 1.00 2.41 C ATOM 2292 O4' DC C 16 33.459 2.663 1.975 1.00 2.24 O ATOM 2293 C3' DC C 16 33.671 0.314 1.873 1.00 2.43 C ATOM 2294 O3' DC C 16 33.392 -0.119 3.203 1.00 2.51 O ATOM 2295 C2' DC C 16 32.369 0.701 1.191 1.00 2.22 C ATOM 2296 C1' DC C 16 32.185 2.140 1.655 1.00 2.12 C ATOM 2297 N1 DC C 16 31.575 3.028 0.628 1.00 1.96 N ATOM 2298 C2 DC C 16 30.671 3.996 1.058 1.00 1.85 C ATOM 2299 O2 DC C 16 30.408 4.075 2.265 1.00 1.89 O ATOM 2300 N3 DC C 16 30.104 4.812 0.136 1.00 1.75 N ATOM 2301 C4 DC C 16 30.409 4.700 -1.162 1.00 1.76 C ATOM 2302 N4 DC C 16 29.827 5.527 -2.018 1.00 1.72 N ATOM 2303 C5 DC C 16 31.330 3.711 -1.629 1.00 1.88 C ATOM 2304 C6 DC C 16 31.890 2.904 -0.687 1.00 1.97 C ATOM 0 H5' DC C 16 35.477 2.945 0.496 1.00 2.43 H new ATOM 0 H5'' DC C 16 36.250 1.382 0.668 1.00 2.43 H new ATOM 0 H4' DC C 16 35.222 1.568 2.633 1.00 2.41 H new ATOM 0 H3' DC C 16 34.210 -0.506 1.399 1.00 2.43 H new ATOM 0 H2' DC C 16 32.439 0.628 0.106 1.00 2.22 H new ATOM 0 H2'' DC C 16 31.541 0.063 1.500 1.00 2.22 H new ATOM 0 H1' DC C 16 31.506 2.116 2.507 1.00 2.12 H new ATOM 0 H41 DC C 16 30.041 5.464 -3.013 1.00 1.72 H new ATOM 0 H42 DC C 16 29.165 6.226 -1.682 1.00 1.72 H new ATOM 0 H5 DC C 16 31.569 3.609 -2.677 1.00 1.88 H new ATOM 0 H6 DC C 16 32.600 2.149 -0.992 1.00 1.97 H new ATOM 2317 P DG C 17 32.129 -1.050 3.475 1.00 2.47 P ATOM 2318 OP1 DG C 17 32.410 -1.954 4.609 1.00 2.67 O ATOM 2319 OP2 DG C 17 31.724 -1.706 2.208 1.00 2.40 O ATOM 2320 O5' DG C 17 31.026 0.023 3.893 1.00 2.30 O ATOM 2321 C5' DG C 17 31.379 1.046 4.858 1.00 2.35 C ATOM 2322 C4' DG C 17 30.178 1.381 5.710 1.00 2.31 C ATOM 2323 O4' DG C 17 29.321 2.306 4.968 1.00 2.11 O ATOM 2324 C3' DG C 17 29.254 0.219 6.067 1.00 2.34 C ATOM 2325 O3' DG C 17 28.501 0.474 7.250 1.00 2.42 O ATOM 2326 C2' DG C 17 28.310 0.159 4.877 1.00 2.12 C ATOM 2327 C1' DG C 17 28.167 1.630 4.509 1.00 1.99 C ATOM 2328 N9 DG C 17 28.049 1.875 3.047 1.00 1.83 N ATOM 2329 C8 DG C 17 28.684 1.236 2.001 1.00 1.83 C ATOM 2330 N7 DG C 17 28.355 1.692 0.820 1.00 1.71 N ATOM 2331 C5 DG C 17 27.438 2.710 1.092 1.00 1.61 C ATOM 2332 C6 DG C 17 26.740 3.569 0.215 1.00 1.50 C ATOM 2333 O6 DG C 17 26.778 3.618 -1.015 1.00 1.48 O ATOM 2334 N1 DG C 17 25.907 4.457 0.918 1.00 1.48 N ATOM 2335 C2 DG C 17 25.771 4.496 2.291 1.00 1.57 C ATOM 2336 N2 DG C 17 24.925 5.410 2.773 1.00 1.60 N ATOM 2337 N3 DG C 17 26.435 3.693 3.118 1.00 1.67 N ATOM 2338 C4 DG C 17 27.248 2.826 2.459 1.00 1.68 C ATOM 0 H5' DG C 17 31.731 1.939 4.342 1.00 2.35 H new ATOM 0 H5'' DG C 17 32.198 0.698 5.488 1.00 2.35 H new ATOM 0 H4' DG C 17 30.613 1.767 6.632 1.00 2.31 H new ATOM 0 H3' DG C 17 29.809 -0.700 6.257 1.00 2.34 H new ATOM 0 H2' DG C 17 28.724 -0.428 4.057 1.00 2.12 H new ATOM 0 H2'' DG C 17 27.352 -0.291 5.139 1.00 2.12 H new ATOM 0 H1' DG C 17 27.247 1.988 4.971 1.00 1.99 H new ATOM 0 H8 DG C 17 29.390 0.431 2.145 1.00 1.83 H new ATOM 0 H1 DG C 17 25.361 5.123 0.372 1.00 1.48 H new ATOM 0 H21 DG C 17 24.780 5.490 3.779 1.00 1.60 H new ATOM 0 H22 DG C 17 24.424 6.028 2.135 1.00 1.60 H new ATOM 2350 P DA C 18 27.109 -0.273 7.467 1.00 2.38 P ATOM 2351 OP1 DA C 18 26.883 -0.496 8.909 1.00 2.59 O ATOM 2352 OP2 DA C 18 27.063 -1.482 6.610 1.00 2.33 O ATOM 2353 O5' DA C 18 26.078 0.809 6.915 1.00 2.18 O ATOM 2354 C5' DA C 18 26.221 2.189 7.338 1.00 2.21 C ATOM 2355 C4' DA C 18 24.859 2.833 7.450 1.00 2.15 C ATOM 2356 O4' DA C 18 24.421 3.236 6.114 1.00 1.93 O ATOM 2357 C3' DA C 18 23.728 1.945 7.965 1.00 2.19 C ATOM 2358 O3' DA C 18 22.666 2.702 8.540 1.00 2.25 O ATOM 2359 C2' DA C 18 23.229 1.265 6.699 1.00 1.97 C ATOM 2360 C1' DA C 18 23.405 2.363 5.659 1.00 1.82 C ATOM 2361 N9 DA C 18 23.807 1.859 4.316 1.00 1.66 N ATOM 2362 C8 DA C 18 24.659 0.830 4.020 1.00 1.69 C ATOM 2363 N7 DA C 18 24.812 0.634 2.743 1.00 1.57 N ATOM 2364 C5 DA C 18 23.996 1.590 2.163 1.00 1.44 C ATOM 2365 C6 DA C 18 23.716 1.910 0.818 1.00 1.32 C ATOM 2366 N6 DA C 18 24.254 1.251 -0.222 1.00 1.32 N ATOM 2367 N1 DA C 18 22.869 2.923 0.589 1.00 1.27 N ATOM 2368 C2 DA C 18 22.340 3.570 1.623 1.00 1.35 C ATOM 2369 N3 DA C 18 22.525 3.374 2.912 1.00 1.46 N ATOM 2370 C4 DA C 18 23.381 2.354 3.110 1.00 1.49 C ATOM 0 H5' DA C 18 26.835 2.737 6.623 1.00 2.21 H new ATOM 0 H5'' DA C 18 26.735 2.233 8.298 1.00 2.21 H new ATOM 0 H4' DA C 18 25.012 3.640 8.167 1.00 2.15 H new ATOM 0 H3' DA C 18 24.068 1.266 8.747 1.00 2.19 H new ATOM 0 H2' DA C 18 23.812 0.376 6.457 1.00 1.97 H new ATOM 0 H2'' DA C 18 22.189 0.950 6.788 1.00 1.97 H new ATOM 0 H1' DA C 18 22.438 2.853 5.545 1.00 1.82 H new ATOM 0 H8 DA C 18 25.156 0.238 4.774 1.00 1.69 H new ATOM 0 H61 DA C 18 24.017 1.524 -1.176 1.00 1.32 H new ATOM 0 H62 DA C 18 24.899 0.478 -0.057 1.00 1.32 H new ATOM 0 H2 DA C 18 21.661 4.371 1.370 1.00 1.35 H new ATOM 2382 P DC C 19 21.198 2.083 8.581 1.00 2.21 P ATOM 2383 OP1 DC C 19 20.482 2.576 9.775 1.00 2.41 O ATOM 2384 OP2 DC C 19 21.282 0.610 8.438 1.00 2.18 O ATOM 2385 O5' DC C 19 20.553 2.706 7.264 1.00 2.00 O ATOM 2386 C5' DC C 19 20.724 4.123 7.004 1.00 2.01 C ATOM 2387 C4' DC C 19 19.495 4.669 6.317 1.00 1.95 C ATOM 2388 O4' DC C 19 19.577 4.349 4.891 1.00 1.73 O ATOM 2389 C3' DC C 19 18.154 4.085 6.759 1.00 1.99 C ATOM 2390 O3' DC C 19 17.067 4.969 6.494 1.00 2.05 O ATOM 2391 C2' DC C 19 18.017 2.852 5.878 1.00 1.78 C ATOM 2392 C1' DC C 19 18.664 3.313 4.579 1.00 1.62 C ATOM 2393 N1 DC C 19 19.418 2.244 3.871 1.00 1.46 N ATOM 2394 C2 DC C 19 19.361 2.219 2.480 1.00 1.30 C ATOM 2395 O2 DC C 19 18.690 3.076 1.893 1.00 1.30 O ATOM 2396 N3 DC C 19 20.039 1.250 1.816 1.00 1.20 N ATOM 2397 C4 DC C 19 20.756 0.337 2.480 1.00 1.28 C ATOM 2398 N4 DC C 19 21.404 -0.584 1.782 1.00 1.26 N ATOM 2399 C5 DC C 19 20.827 0.338 3.909 1.00 1.46 C ATOM 2400 C6 DC C 19 20.141 1.319 4.554 1.00 1.54 C ATOM 0 H5' DC C 19 21.603 4.284 6.379 1.00 2.01 H new ATOM 0 H5'' DC C 19 20.896 4.656 7.939 1.00 2.01 H new ATOM 0 H4' DC C 19 19.504 5.729 6.570 1.00 1.95 H new ATOM 0 H3' DC C 19 18.128 3.890 7.831 1.00 1.99 H new ATOM 0 H2' DC C 19 18.528 1.988 6.304 1.00 1.78 H new ATOM 0 H2'' DC C 19 16.975 2.567 5.735 1.00 1.78 H new ATOM 0 H1' DC C 19 17.859 3.634 3.917 1.00 1.62 H new ATOM 0 H41 DC C 19 21.958 -1.292 2.263 1.00 1.26 H new ATOM 0 H42 DC C 19 21.348 -0.585 0.764 1.00 1.26 H new ATOM 0 H5 DC C 19 21.397 -0.404 4.449 1.00 1.46 H new ATOM 0 H6 DC C 19 20.172 1.364 5.633 1.00 1.54 H new ATOM 2412 P DG C 20 15.601 4.374 6.307 1.00 2.03 P ATOM 2413 OP1 DG C 20 14.602 5.347 6.792 1.00 2.23 O ATOM 2414 OP2 DG C 20 15.540 3.024 6.917 1.00 2.01 O ATOM 2415 O5' DG C 20 15.511 4.246 4.721 1.00 1.81 O ATOM 2416 C5' DG C 20 15.937 5.364 3.904 1.00 1.82 C ATOM 2417 C4' DG C 20 15.083 5.442 2.660 1.00 1.77 C ATOM 2418 O4' DG C 20 15.588 4.476 1.685 1.00 1.54 O ATOM 2419 C3' DG C 20 13.610 5.078 2.824 1.00 1.83 C ATOM 2420 O3' DG C 20 12.793 5.666 1.816 1.00 1.90 O ATOM 2421 C2' DG C 20 13.613 3.567 2.647 1.00 1.62 C ATOM 2422 C1' DG C 20 14.706 3.372 1.602 1.00 1.45 C ATOM 2423 N9 DG C 20 15.508 2.135 1.795 1.00 1.28 N ATOM 2424 C8 DG C 20 15.932 1.544 2.968 1.00 1.33 C ATOM 2425 N7 DG C 20 16.625 0.448 2.793 1.00 1.22 N ATOM 2426 C5 DG C 20 16.670 0.294 1.405 1.00 1.05 C ATOM 2427 C6 DG C 20 17.282 -0.705 0.618 1.00 0.94 C ATOM 2428 O6 DG C 20 17.928 -1.689 0.978 1.00 0.97 O ATOM 2429 N1 DG C 20 17.080 -0.474 -0.755 1.00 0.87 N ATOM 2430 C2 DG C 20 16.371 0.584 -1.284 1.00 0.95 C ATOM 2431 N2 DG C 20 16.284 0.629 -2.616 1.00 0.99 N ATOM 2432 N3 DG C 20 15.802 1.531 -0.542 1.00 1.07 N ATOM 2433 C4 DG C 20 15.987 1.329 0.789 1.00 1.10 C ATOM 0 H5' DG C 20 16.986 5.248 3.630 1.00 1.82 H new ATOM 0 H5'' DG C 20 15.857 6.292 4.470 1.00 1.82 H new ATOM 0 H4' DG C 20 15.143 6.491 2.369 1.00 1.77 H new ATOM 0 H3' DG C 20 13.208 5.427 3.775 1.00 1.83 H new ATOM 0 H2' DG C 20 13.841 3.048 3.578 1.00 1.62 H new ATOM 0 H2'' DG C 20 12.648 3.195 2.303 1.00 1.62 H new ATOM 0 H1' DG C 20 14.212 3.288 0.634 1.00 1.45 H new ATOM 0 H8 DG C 20 15.711 1.950 3.944 1.00 1.33 H new ATOM 0 H1 DG C 20 17.490 -1.140 -1.410 1.00 0.87 H new ATOM 0 H21 DG C 20 15.773 1.387 -3.068 1.00 0.99 H new ATOM 0 H22 DG C 20 16.729 -0.095 -3.181 1.00 0.99 H new ATOM 2445 P DT C 21 11.406 4.980 1.431 1.00 1.90 P ATOM 2446 OP1 DT C 21 10.436 6.013 1.016 1.00 2.12 O ATOM 2447 OP2 DT C 21 10.977 4.094 2.540 1.00 1.88 O ATOM 2448 O5' DT C 21 11.828 4.091 0.177 1.00 1.69 O ATOM 2449 C5' DT C 21 12.638 4.694 -0.864 1.00 1.70 C ATOM 2450 C4' DT C 21 12.259 4.115 -2.207 1.00 1.66 C ATOM 2451 O4' DT C 21 12.929 2.822 -2.365 1.00 1.42 O ATOM 2452 C3' DT C 21 10.780 3.797 -2.416 1.00 1.74 C ATOM 2453 O3' DT C 21 10.423 3.779 -3.797 1.00 1.83 O ATOM 2454 C2' DT C 21 10.649 2.394 -1.848 1.00 1.53 C ATOM 2455 C1' DT C 21 11.989 1.774 -2.220 1.00 1.33 C ATOM 2456 N1 DT C 21 12.518 0.828 -1.199 1.00 1.14 N ATOM 2457 C2 DT C 21 13.168 -0.297 -1.658 1.00 0.96 C ATOM 2458 O2 DT C 21 13.319 -0.534 -2.844 1.00 0.97 O ATOM 2459 N3 DT C 21 13.643 -1.144 -0.677 1.00 0.84 N ATOM 2460 C4 DT C 21 13.524 -0.974 0.683 1.00 0.94 C ATOM 2461 O4 DT C 21 13.991 -1.808 1.469 1.00 0.94 O ATOM 2462 C5 DT C 21 12.825 0.228 1.069 1.00 1.13 C ATOM 2463 C7 DT C 21 12.681 0.459 2.544 1.00 1.30 C ATOM 2464 C6 DT C 21 12.355 1.082 0.139 1.00 1.22 C ATOM 0 H5' DT C 21 13.695 4.514 -0.665 1.00 1.70 H new ATOM 0 H5'' DT C 21 12.494 5.774 -0.870 1.00 1.70 H new ATOM 0 H4' DT C 21 12.545 4.893 -2.915 1.00 1.66 H new ATOM 0 H3' DT C 21 10.134 4.541 -1.949 1.00 1.74 H new ATOM 0 H2' DT C 21 10.490 2.404 -0.770 1.00 1.53 H new ATOM 0 H2'' DT C 21 9.812 1.852 -2.289 1.00 1.53 H new ATOM 0 H1' DT C 21 11.834 1.206 -3.137 1.00 1.33 H new ATOM 0 H3 DT C 21 14.132 -1.982 -0.993 1.00 0.84 H new ATOM 0 H71 DT C 21 12.653 1.530 2.743 1.00 1.30 H new ATOM 0 H72 DT C 21 11.757 -0.000 2.896 1.00 1.30 H new ATOM 0 H73 DT C 21 13.528 0.015 3.066 1.00 1.30 H new ATOM 0 H6 DT C 21 11.842 1.980 0.452 1.00 1.22 H new ATOM 2477 P DT C 22 9.164 2.922 -4.269 1.00 1.85 P ATOM 2478 OP1 DT C 22 8.525 3.571 -5.429 1.00 2.09 O ATOM 2479 OP2 DT C 22 8.285 2.665 -3.104 1.00 1.83 O ATOM 2480 O5' DT C 22 9.859 1.559 -4.719 1.00 1.63 O ATOM 2481 C5' DT C 22 11.036 1.621 -5.563 1.00 1.63 C ATOM 2482 C4' DT C 22 11.050 0.443 -6.509 1.00 1.59 C ATOM 2483 O4' DT C 22 11.564 -0.725 -5.794 1.00 1.34 O ATOM 2484 C3' DT C 22 9.694 -0.010 -7.046 1.00 1.69 C ATOM 2485 O3' DT C 22 9.812 -0.715 -8.279 1.00 1.79 O ATOM 2486 C2' DT C 22 9.207 -0.967 -5.971 1.00 1.48 C ATOM 2487 C1' DT C 22 10.504 -1.618 -5.511 1.00 1.26 C ATOM 2488 N1 DT C 22 10.542 -1.920 -4.055 1.00 1.06 N ATOM 2489 C2 DT C 22 11.157 -3.092 -3.667 1.00 0.86 C ATOM 2490 O2 DT C 22 11.659 -3.866 -4.464 1.00 0.87 O ATOM 2491 N3 DT C 22 11.169 -3.330 -2.309 1.00 0.72 N ATOM 2492 C4 DT C 22 10.633 -2.527 -1.327 1.00 0.82 C ATOM 2493 O4 DT C 22 10.705 -2.847 -0.136 1.00 0.82 O ATOM 2494 C5 DT C 22 10.005 -1.326 -1.825 1.00 1.04 C ATOM 2495 C7 DT C 22 9.414 -0.416 -0.791 1.00 1.21 C ATOM 2496 C6 DT C 22 9.980 -1.057 -3.145 1.00 1.13 C ATOM 0 H5' DT C 22 11.936 1.616 -4.948 1.00 1.63 H new ATOM 0 H5'' DT C 22 11.041 2.553 -6.128 1.00 1.63 H new ATOM 0 H4' DT C 22 11.651 0.790 -7.349 1.00 1.59 H new ATOM 0 H3' DT C 22 9.032 0.833 -7.244 1.00 1.69 H new ATOM 0 H2' DT C 22 8.703 -0.444 -5.158 1.00 1.48 H new ATOM 0 H2'' DT C 22 8.502 -1.698 -6.366 1.00 1.48 H new ATOM 0 H1' DT C 22 10.590 -2.567 -6.040 1.00 1.26 H new ATOM 0 H3 DT C 22 11.622 -4.190 -2.000 1.00 0.72 H new ATOM 0 H71 DT C 22 9.082 -1.004 0.065 1.00 1.21 H new ATOM 0 H72 DT C 22 10.166 0.304 -0.467 1.00 1.21 H new ATOM 0 H73 DT C 22 8.563 0.115 -1.218 1.00 1.21 H new ATOM 0 H6 DT C 22 9.511 -0.149 -3.493 1.00 1.13 H new ATOM 2509 P DA C 23 8.680 -1.758 -8.697 1.00 1.82 P ATOM 2510 OP1 DA C 23 8.549 -1.788 -10.167 1.00 2.06 O ATOM 2511 OP2 DA C 23 7.441 -1.461 -7.940 1.00 1.81 O ATOM 2512 O5' DA C 23 9.305 -3.130 -8.176 1.00 1.58 O ATOM 2513 C5' DA C 23 10.692 -3.423 -8.479 1.00 1.56 C ATOM 2514 C4' DA C 23 10.865 -4.910 -8.684 1.00 1.53 C ATOM 2515 O4' DA C 23 10.963 -5.556 -7.375 1.00 1.27 O ATOM 2516 C3' DA C 23 9.717 -5.638 -9.379 1.00 1.64 C ATOM 2517 O3' DA C 23 10.144 -6.845 -10.005 1.00 1.73 O ATOM 2518 C2' DA C 23 8.784 -5.975 -8.227 1.00 1.44 C ATOM 2519 C1' DA C 23 9.763 -6.253 -7.095 1.00 1.21 C ATOM 2520 N9 DA C 23 9.280 -5.806 -5.760 1.00 1.01 N ATOM 2521 C8 DA C 23 8.558 -4.685 -5.451 1.00 1.06 C ATOM 2522 N7 DA C 23 8.291 -4.572 -4.184 1.00 0.92 N ATOM 2523 C5 DA C 23 8.863 -5.700 -3.623 1.00 0.72 C ATOM 2524 C6 DA C 23 8.931 -6.170 -2.295 1.00 0.57 C ATOM 2525 N6 DA C 23 8.377 -5.521 -1.257 1.00 0.64 N ATOM 2526 N1 DA C 23 9.584 -7.322 -2.082 1.00 0.51 N ATOM 2527 C2 DA C 23 10.127 -7.956 -3.116 1.00 0.61 C ATOM 2528 N3 DA C 23 10.139 -7.622 -4.388 1.00 0.75 N ATOM 2529 C4 DA C 23 9.480 -6.463 -4.573 1.00 0.79 C ATOM 0 H5' DA C 23 11.332 -3.081 -7.666 1.00 1.56 H new ATOM 0 H5'' DA C 23 11.000 -2.884 -9.375 1.00 1.56 H new ATOM 0 H4' DA C 23 11.748 -4.983 -9.319 1.00 1.53 H new ATOM 0 H3' DA C 23 9.270 -5.034 -10.169 1.00 1.64 H new ATOM 0 H2' DA C 23 8.112 -5.149 -7.992 1.00 1.44 H new ATOM 0 H2'' DA C 23 8.160 -6.841 -8.448 1.00 1.44 H new ATOM 0 H1' DA C 23 9.896 -7.334 -7.046 1.00 1.21 H new ATOM 0 H8 DA C 23 8.241 -3.963 -6.189 1.00 1.06 H new ATOM 0 H61 DA C 23 8.455 -5.905 -0.315 1.00 0.64 H new ATOM 0 H62 DA C 23 7.878 -4.645 -1.411 1.00 0.64 H new ATOM 0 H2 DA C 23 10.632 -8.880 -2.877 1.00 0.61 H new ATOM 2541 P DT C 24 9.089 -8.017 -10.246 1.00 1.76 P ATOM 2542 OP1 DT C 24 9.445 -8.763 -11.470 1.00 2.00 O ATOM 2543 OP2 DT C 24 7.719 -7.455 -10.206 1.00 1.77 O ATOM 2544 O5' DT C 24 9.327 -8.929 -8.959 1.00 1.53 O ATOM 2545 C5' DT C 24 10.687 -9.258 -8.580 1.00 1.51 C ATOM 2546 C4' DT C 24 10.727 -10.650 -7.987 1.00 1.48 C ATOM 2547 O4' DT C 24 10.305 -10.570 -6.588 1.00 1.23 O ATOM 2548 C3' DT C 24 9.789 -11.680 -8.609 1.00 1.60 C ATOM 2549 O3' DT C 24 10.240 -13.015 -8.396 1.00 1.69 O ATOM 2550 C2' DT C 24 8.493 -11.464 -7.843 1.00 1.40 C ATOM 2551 C1' DT C 24 9.001 -11.106 -6.452 1.00 1.18 C ATOM 2552 N1 DT C 24 8.167 -10.094 -5.751 1.00 0.99 N ATOM 2553 C2 DT C 24 7.989 -10.254 -4.393 1.00 0.79 C ATOM 2554 O2 DT C 24 8.483 -11.176 -3.767 1.00 0.82 O ATOM 2555 N3 DT C 24 7.209 -9.291 -3.782 1.00 0.67 N ATOM 2556 C4 DT C 24 6.605 -8.216 -4.391 1.00 0.77 C ATOM 2557 O4 DT C 24 5.925 -7.416 -3.737 1.00 0.78 O ATOM 2558 C5 DT C 24 6.842 -8.132 -5.813 1.00 0.99 C ATOM 2559 C7 DT C 24 6.210 -6.970 -6.517 1.00 1.18 C ATOM 2560 C6 DT C 24 7.604 -9.049 -6.442 1.00 1.07 C ATOM 0 H5' DT C 24 11.059 -8.533 -7.856 1.00 1.51 H new ATOM 0 H5'' DT C 24 11.341 -9.204 -9.450 1.00 1.51 H new ATOM 0 H4' DT C 24 11.752 -10.980 -8.159 1.00 1.48 H new ATOM 0 H3' DT C 24 9.708 -11.558 -9.689 1.00 1.60 H new ATOM 0 H2' DT C 24 7.892 -10.664 -8.276 1.00 1.40 H new ATOM 0 H2'' DT C 24 7.872 -12.360 -7.832 1.00 1.40 H new ATOM 0 H1' DT C 24 8.972 -12.019 -5.857 1.00 1.18 H new ATOM 0 H3 DT C 24 7.067 -9.387 -2.777 1.00 0.67 H new ATOM 0 H71 DT C 24 5.290 -6.690 -6.004 1.00 1.18 H new ATOM 0 H72 DT C 24 6.898 -6.125 -6.515 1.00 1.18 H new ATOM 0 H73 DT C 24 5.981 -7.248 -7.546 1.00 1.18 H new ATOM 0 H6 DT C 24 7.774 -8.961 -7.505 1.00 1.07 H new ATOM 2573 P DA C 25 9.184 -14.209 -8.409 1.00 1.73 P ATOM 2574 OP1 DA C 25 9.824 -15.438 -8.922 1.00 1.96 O ATOM 2575 OP2 DA C 25 7.959 -13.773 -9.120 1.00 1.74 O ATOM 2576 O5' DA C 25 8.867 -14.369 -6.854 1.00 1.52 O ATOM 2577 C5' DA C 25 9.971 -14.403 -5.915 1.00 1.50 C ATOM 2578 C4' DA C 25 9.636 -15.323 -4.765 1.00 1.49 C ATOM 2579 O4' DA C 25 8.789 -14.600 -3.817 1.00 1.26 O ATOM 2580 C3' DA C 25 8.831 -16.575 -5.110 1.00 1.62 C ATOM 2581 O3' DA C 25 9.013 -17.614 -4.152 1.00 1.72 O ATOM 2582 C2' DA C 25 7.394 -16.081 -5.045 1.00 1.43 C ATOM 2583 C1' DA C 25 7.458 -15.067 -3.911 1.00 1.22 C ATOM 2584 N9 DA C 25 6.575 -13.887 -4.111 1.00 1.02 N ATOM 2585 C8 DA C 25 6.296 -13.224 -5.276 1.00 1.06 C ATOM 2586 N7 DA C 25 5.486 -12.220 -5.123 1.00 0.94 N ATOM 2587 C5 DA C 25 5.200 -12.229 -3.768 1.00 0.78 C ATOM 2588 C6 DA C 25 4.391 -11.403 -2.962 1.00 0.68 C ATOM 2589 N6 DA C 25 3.684 -10.368 -3.449 1.00 0.74 N ATOM 2590 N1 DA C 25 4.336 -11.680 -1.652 1.00 0.65 N ATOM 2591 C2 DA C 25 5.040 -12.707 -1.181 1.00 0.74 C ATOM 2592 N3 DA C 25 5.829 -13.542 -1.821 1.00 0.84 N ATOM 2593 C4 DA C 25 5.865 -13.237 -3.132 1.00 0.85 C ATOM 0 H5' DA C 25 10.174 -13.399 -5.542 1.00 1.50 H new ATOM 0 H5'' DA C 25 10.876 -14.747 -6.416 1.00 1.50 H new ATOM 0 H4' DA C 25 10.611 -15.636 -4.391 1.00 1.49 H new ATOM 0 H3' DA C 25 9.127 -16.998 -6.070 1.00 1.62 H new ATOM 0 H2' DA C 25 7.077 -15.625 -5.983 1.00 1.43 H new ATOM 0 H2'' DA C 25 6.694 -16.889 -4.831 1.00 1.43 H new ATOM 0 H1' DA C 25 7.118 -15.575 -3.009 1.00 1.22 H new ATOM 0 H8 DA C 25 6.710 -13.509 -6.232 1.00 1.06 H new ATOM 0 H61 DA C 25 3.113 -9.800 -2.822 1.00 0.74 H new ATOM 0 H62 DA C 25 3.719 -10.150 -4.445 1.00 0.74 H new ATOM 0 H2 DA C 25 4.950 -12.880 -0.119 1.00 0.74 H new ATOM 2605 P DT C 26 7.877 -18.717 -3.967 1.00 1.77 P ATOM 2606 OP1 DT C 26 8.487 -20.004 -3.581 1.00 2.01 O ATOM 2607 OP2 DT C 26 7.019 -18.743 -5.179 1.00 1.77 O ATOM 2608 O5' DT C 26 7.046 -18.117 -2.746 1.00 1.58 O ATOM 2609 C5' DT C 26 7.767 -17.634 -1.584 1.00 1.57 C ATOM 2610 C4' DT C 26 6.958 -17.897 -0.334 1.00 1.58 C ATOM 2611 O4' DT C 26 5.946 -16.848 -0.204 1.00 1.35 O ATOM 2612 C3' DT C 26 6.158 -19.197 -0.306 1.00 1.70 C ATOM 2613 O3' DT C 26 5.880 -19.630 1.024 1.00 1.82 O ATOM 2614 C2' DT C 26 4.856 -18.810 -0.987 1.00 1.52 C ATOM 2615 C1' DT C 26 4.670 -17.370 -0.524 1.00 1.32 C ATOM 2616 N1 DT C 26 4.061 -16.483 -1.552 1.00 1.13 N ATOM 2617 C2 DT C 26 3.166 -15.529 -1.110 1.00 0.98 C ATOM 2618 O2 DT C 26 2.869 -15.397 0.062 1.00 1.02 O ATOM 2619 N3 DT C 26 2.627 -14.729 -2.097 1.00 0.87 N ATOM 2620 C4 DT C 26 2.893 -14.795 -3.446 1.00 0.92 C ATOM 2621 O4 DT C 26 2.343 -14.020 -4.238 1.00 0.93 O ATOM 2622 C5 DT C 26 3.834 -15.824 -3.813 1.00 1.08 C ATOM 2623 C7 DT C 26 4.160 -15.929 -5.273 1.00 1.23 C ATOM 2624 C6 DT C 26 4.386 -16.620 -2.878 1.00 1.17 C ATOM 0 H5' DT C 26 7.963 -16.566 -1.684 1.00 1.57 H new ATOM 0 H5'' DT C 26 8.735 -18.130 -1.513 1.00 1.57 H new ATOM 0 H4' DT C 26 7.706 -17.940 0.457 1.00 1.58 H new ATOM 0 H3' DT C 26 6.697 -20.016 -0.782 1.00 1.70 H new ATOM 0 H2' DT C 26 4.926 -18.883 -2.072 1.00 1.52 H new ATOM 0 H2'' DT C 26 4.028 -19.448 -0.677 1.00 1.52 H new ATOM 0 H1' DT C 26 3.990 -17.392 0.327 1.00 1.32 H new ATOM 0 H3 DT C 26 1.963 -14.015 -1.796 1.00 0.87 H new ATOM 0 H71 DT C 26 3.300 -15.610 -5.862 1.00 1.23 H new ATOM 0 H72 DT C 26 5.014 -15.291 -5.502 1.00 1.23 H new ATOM 0 H73 DT C 26 4.404 -16.963 -5.518 1.00 1.23 H new ATOM 0 H6 DT C 26 5.095 -17.378 -3.176 1.00 1.17 H new ATOM 2637 P DT C 27 4.615 -20.561 1.298 1.00 1.88 P ATOM 2638 OP1 DT C 27 4.896 -21.465 2.429 1.00 2.12 O ATOM 2639 OP2 DT C 27 4.209 -21.216 0.030 1.00 1.87 O ATOM 2640 O5' DT C 27 3.512 -19.487 1.714 1.00 1.69 O ATOM 2641 C5' DT C 27 3.867 -18.464 2.679 1.00 1.68 C ATOM 2642 C4' DT C 27 2.664 -18.130 3.531 1.00 1.69 C ATOM 2643 O4' DT C 27 1.809 -17.204 2.789 1.00 1.47 O ATOM 2644 C3' DT C 27 1.740 -19.291 3.889 1.00 1.82 C ATOM 2645 O3' DT C 27 0.986 -19.037 5.071 1.00 1.93 O ATOM 2646 C2' DT C 27 0.796 -19.351 2.698 1.00 1.65 C ATOM 2647 C1' DT C 27 0.654 -17.880 2.330 1.00 1.45 C ATOM 2648 N1 DT C 27 0.536 -17.637 0.867 1.00 1.27 N ATOM 2649 C2 DT C 27 -0.325 -16.638 0.461 1.00 1.14 C ATOM 2650 O2 DT C 27 -0.973 -15.968 1.247 1.00 1.18 O ATOM 2651 N3 DT C 27 -0.402 -16.445 -0.902 1.00 1.03 N ATOM 2652 C4 DT C 27 0.280 -17.144 -1.871 1.00 1.07 C ATOM 2653 O4 DT C 27 0.127 -16.882 -3.069 1.00 1.06 O ATOM 2654 C5 DT C 27 1.152 -18.173 -1.355 1.00 1.21 C ATOM 2655 C7 DT C 27 1.923 -18.954 -2.374 1.00 1.33 C ATOM 2656 C6 DT C 27 1.260 -18.384 -0.027 1.00 1.30 C ATOM 0 H5' DT C 27 4.219 -17.571 2.164 1.00 1.68 H new ATOM 0 H5'' DT C 27 4.686 -18.812 3.309 1.00 1.68 H new ATOM 0 H4' DT C 27 3.099 -17.746 4.454 1.00 1.69 H new ATOM 0 H3' DT C 27 2.296 -20.209 4.081 1.00 1.82 H new ATOM 0 H2' DT C 27 1.210 -19.938 1.878 1.00 1.65 H new ATOM 0 H2'' DT C 27 -0.162 -19.800 2.959 1.00 1.65 H new ATOM 0 H1' DT C 27 -0.265 -17.520 2.792 1.00 1.45 H new ATOM 0 H3 DT C 27 -1.029 -15.708 -1.225 1.00 1.03 H new ATOM 0 H71 DT C 27 1.352 -19.005 -3.301 1.00 1.33 H new ATOM 0 H72 DT C 27 2.878 -18.463 -2.562 1.00 1.33 H new ATOM 0 H73 DT C 27 2.100 -19.963 -2.001 1.00 1.33 H new ATOM 0 H6 DT C 27 1.926 -19.152 0.337 1.00 1.30 H new ATOM 2669 P DG C 28 -0.404 -19.784 5.288 1.00 1.99 P ATOM 2670 OP1 DG C 28 -0.631 -20.007 6.730 1.00 2.23 O ATOM 2671 OP2 DG C 28 -0.452 -20.991 4.431 1.00 1.99 O ATOM 2672 O5' DG C 28 -1.436 -18.701 4.736 1.00 1.81 O ATOM 2673 C5' DG C 28 -1.294 -17.322 5.159 1.00 1.79 C ATOM 2674 C4' DG C 28 -2.655 -16.678 5.271 1.00 1.80 C ATOM 2675 O4' DG C 28 -3.094 -16.274 3.935 1.00 1.60 O ATOM 2676 C3' DG C 28 -3.786 -17.566 5.786 1.00 1.93 C ATOM 2677 O3' DG C 28 -4.848 -16.809 6.361 1.00 2.04 O ATOM 2678 C2' DG C 28 -4.285 -18.245 4.520 1.00 1.78 C ATOM 2679 C1' DG C 28 -4.110 -17.147 3.479 1.00 1.59 C ATOM 2680 N9 DG C 28 -3.707 -17.652 2.138 1.00 1.43 N ATOM 2681 C8 DG C 28 -2.851 -18.683 1.813 1.00 1.44 C ATOM 2682 N7 DG C 28 -2.711 -18.876 0.527 1.00 1.33 N ATOM 2683 C5 DG C 28 -3.528 -17.902 -0.051 1.00 1.24 C ATOM 2684 C6 DG C 28 -3.783 -17.616 -1.412 1.00 1.17 C ATOM 2685 O6 DG C 28 -3.336 -18.167 -2.417 1.00 1.18 O ATOM 2686 N1 DG C 28 -4.681 -16.543 -1.552 1.00 1.19 N ATOM 2687 C2 DG C 28 -5.255 -15.849 -0.506 1.00 1.27 C ATOM 2688 N2 DG C 28 -6.088 -14.861 -0.841 1.00 1.35 N ATOM 2689 N3 DG C 28 -5.009 -16.113 0.775 1.00 1.33 N ATOM 2690 C4 DG C 28 -4.140 -17.147 0.933 1.00 1.31 C ATOM 0 H5' DG C 28 -0.680 -16.774 4.444 1.00 1.79 H new ATOM 0 H5'' DG C 28 -0.781 -17.278 6.120 1.00 1.79 H new ATOM 0 H4' DG C 28 -2.502 -15.871 5.988 1.00 1.80 H new ATOM 0 H3' DG C 28 -3.447 -18.246 6.568 1.00 1.93 H new ATOM 0 H2' DG C 28 -3.702 -19.134 4.277 1.00 1.78 H new ATOM 0 H2'' DG C 28 -5.325 -18.560 4.609 1.00 1.78 H new ATOM 0 H1' DG C 28 -5.077 -16.657 3.363 1.00 1.59 H new ATOM 0 H8 DG C 28 -2.341 -19.279 2.555 1.00 1.44 H new ATOM 0 H1 DG C 28 -4.927 -16.255 -2.499 1.00 1.19 H new ATOM 0 H21 DG C 28 -6.544 -14.310 -0.114 1.00 1.35 H new ATOM 0 H22 DG C 28 -6.268 -14.657 -1.824 1.00 1.35 H new ATOM 2702 P DT C 29 -6.316 -17.428 6.404 1.00 2.11 P ATOM 2703 OP1 DT C 29 -7.031 -16.934 7.597 1.00 2.33 O ATOM 2704 OP2 DT C 29 -6.230 -18.900 6.262 1.00 2.12 O ATOM 2705 O5' DT C 29 -6.960 -16.804 5.085 1.00 1.95 O ATOM 2706 C5' DT C 29 -6.790 -15.388 4.826 1.00 1.92 C ATOM 2707 C4' DT C 29 -8.020 -14.842 4.139 1.00 1.94 C ATOM 2708 O4' DT C 29 -7.938 -15.162 2.713 1.00 1.76 O ATOM 2709 C3' DT C 29 -9.360 -15.426 4.579 1.00 2.08 C ATOM 2710 O3' DT C 29 -10.446 -14.541 4.316 1.00 2.19 O ATOM 2711 C2' DT C 29 -9.497 -16.658 3.699 1.00 1.95 C ATOM 2712 C1' DT C 29 -8.848 -16.198 2.401 1.00 1.77 C ATOM 2713 N1 DT C 29 -8.097 -17.266 1.694 1.00 1.62 N ATOM 2714 C2 DT C 29 -8.163 -17.280 0.314 1.00 1.52 C ATOM 2715 O2 DT C 29 -8.802 -16.461 -0.322 1.00 1.57 O ATOM 2716 N3 DT C 29 -7.447 -18.288 -0.299 1.00 1.43 N ATOM 2717 C4 DT C 29 -6.698 -19.260 0.321 1.00 1.45 C ATOM 2718 O4 DT C 29 -6.099 -20.118 -0.339 1.00 1.42 O ATOM 2719 C5 DT C 29 -6.691 -19.172 1.761 1.00 1.56 C ATOM 2720 C7 DT C 29 -5.878 -20.206 2.479 1.00 1.65 C ATOM 2721 C6 DT C 29 -7.370 -18.196 2.396 1.00 1.64 C ATOM 0 H5' DT C 29 -5.911 -15.226 4.201 1.00 1.92 H new ATOM 0 H5'' DT C 29 -6.618 -14.856 5.762 1.00 1.92 H new ATOM 0 H4' DT C 29 -8.011 -13.782 4.394 1.00 1.94 H new ATOM 0 H3' DT C 29 -9.386 -15.623 5.651 1.00 2.08 H new ATOM 0 H2' DT C 29 -8.987 -17.522 4.125 1.00 1.95 H new ATOM 0 H2'' DT C 29 -10.539 -16.942 3.555 1.00 1.95 H new ATOM 0 HO3' DT C 29 -11.284 -14.955 4.611 1.00 2.19 H new ATOM 0 H1' DT C 29 -9.651 -15.877 1.738 1.00 1.77 H new ATOM 0 H3 DT C 29 -7.477 -18.315 -1.318 1.00 1.43 H new ATOM 0 H71 DT C 29 -5.860 -21.125 1.894 1.00 1.65 H new ATOM 0 H72 DT C 29 -4.860 -19.840 2.612 1.00 1.65 H new ATOM 0 H73 DT C 29 -6.322 -20.405 3.454 1.00 1.65 H new ATOM 0 H6 DT C 29 -7.342 -18.144 3.474 1.00 1.64 H new TER 2735 DT C 29