USER MOD reduce.3.24.130724 H: found=0, std=0, add=1241, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1243 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 THR OG1 : rot 53:sc= -0.844 USER MOD Set 1.2: C 21 DT C7 :methyl -30:sc= -6.77! (180deg=-8.53!) USER MOD Set 1.3: C 22 DT C7 :methyl -30:sc= -7.49! (180deg=-6.14!) USER MOD Set 2.1: A 76 CYS SG : rot 113:sc= -2.29! USER MOD Set 2.2: B 6 DT C7 :methyl -30:sc= -7.1! (180deg=-5.04!) USER MOD Set 3.1: A 58 LYS NZ :NH3+ -150:sc= -0.231 (180deg=-2.14!) USER MOD Set 3.2: A 75 THR OG1 : rot 180:sc= 0.252 USER MOD Set 4.1: A 72 SER OG : rot 164:sc= 0.848 USER MOD Set 4.2: B 8 DT C7 :methyl -30:sc= -3.76! (180deg=-5.11!) USER MOD Set 5.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 16 LYS NZ :NH3+ 168:sc= 1.27 (180deg=1.16) USER MOD Single : A 1 ARG N :NH3+ -165:sc= 1.12 (180deg=0.508) USER MOD Single : A 5 GLN : amide:sc= 1.23 K(o=1.2,f=-7.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.02 USER MOD Single : A 15 MET CE :methyl 173:sc= -0.746 (180deg=-1.02) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 69:sc= 0.189 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 158:sc= -0.0814 (180deg=-0.523) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 167:sc= -2.27! (180deg=-2.85!) USER MOD Single : A 40 GLN : amide:sc= 0.397 X(o=0.4,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD Single : A 44 LYS NZ :NH3+ -150:sc= 0.136 (180deg=-0.34) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.551 USER MOD Single : A 52 THR OG1 : rot 79:sc= 0.617 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 59 HIS : no HD1:sc=-0.00897 X(o=-0.009,f=0) USER MOD Single : A 61 TYR OH : rot 62:sc= 0.333 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 44:sc= -1.03 USER MOD Single : A 80 HIS :FLIP+bothHN:sc= -4.04! C(o=-7.3!,f=-4!) USER MOD Single : A 81 TYR OH : rot 23:sc= 1.29 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1) USER MOD Single : A 98 LYS NZ :NH3+ -167:sc= -0.0385 (180deg=-0.237) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 13 DT C7 :methyl -30:sc= -3.75! (180deg=-5.11!) USER MOD Single : B 15 DG O3' : rot 180:sc= 0 USER MOD Single : C 24 DT C7 :methyl -30:sc= -3.8! (180deg=-5.04!) USER MOD Single : C 26 DT C7 :methyl -30:sc= -3.81! (180deg=-5.08!) USER MOD Single : C 27 DT C7 :methyl -30:sc= -4.17! (180deg=-5.09!) USER MOD Single : C 29 DT C7 :methyl -30:sc= -3.75! (180deg=-5.08!) USER MOD Single : C 29 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -12.339 10.399 14.762 1.00 1.75 N ATOM 2 CA ARG A 1 -12.548 8.927 14.843 1.00 1.74 C ATOM 3 C ARG A 1 -13.927 8.485 14.343 1.00 1.77 C ATOM 4 O ARG A 1 -14.039 7.703 13.390 1.00 1.74 O ATOM 5 CB ARG A 1 -12.215 8.405 16.262 1.00 1.77 C ATOM 6 CG ARG A 1 -12.208 6.869 16.396 1.00 1.77 C ATOM 7 CD ARG A 1 -13.529 6.314 16.951 1.00 1.83 C ATOM 8 NE ARG A 1 -13.532 4.844 16.952 1.00 1.84 N ATOM 9 CZ ARG A 1 -13.122 4.016 17.889 1.00 1.86 C ATOM 10 NH1 ARG A 1 -12.619 4.419 19.021 1.00 1.89 N ATOM 11 NH2 ARG A 1 -13.223 2.740 17.675 1.00 1.87 N ATOM 0 H1 ARG A 1 -11.326 10.612 14.867 1.00 1.75 H new ATOM 0 H2 ARG A 1 -12.672 10.747 13.840 1.00 1.75 H new ATOM 0 H3 ARG A 1 -12.872 10.868 15.522 1.00 1.75 H new ATOM 0 HA ARG A 1 -11.846 8.459 14.153 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -11.237 8.787 16.555 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -12.940 8.815 16.965 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -12.014 6.425 15.420 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -11.390 6.570 17.051 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -13.682 6.681 17.966 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -14.361 6.681 16.350 1.00 1.83 H new ATOM 0 HE ARG A 1 -13.903 4.405 16.110 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -12.529 5.417 19.213 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -12.315 3.737 19.716 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -13.613 2.400 16.796 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -12.912 2.078 18.386 1.00 1.87 H new ATOM 27 N ALA A 2 -14.989 8.946 15.010 1.00 1.84 N ATOM 28 CA ALA A 2 -16.342 8.427 14.784 1.00 1.89 C ATOM 29 C ALA A 2 -16.885 8.716 13.374 1.00 1.88 C ATOM 30 O ALA A 2 -17.533 7.861 12.777 1.00 1.89 O ATOM 31 CB ALA A 2 -17.267 8.991 15.868 1.00 1.97 C ATOM 0 H ALA A 2 -14.937 9.682 15.715 1.00 1.84 H new ATOM 0 HA ALA A 2 -16.301 7.340 14.850 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -18.279 8.615 15.715 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -16.909 8.680 16.850 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -17.272 10.080 15.812 1.00 1.97 H new ATOM 37 N ASP A 3 -16.576 9.889 12.818 1.00 1.87 N ATOM 38 CA ASP A 3 -17.010 10.256 11.464 1.00 1.88 C ATOM 39 C ASP A 3 -16.240 9.506 10.362 1.00 1.81 C ATOM 40 O ASP A 3 -16.832 9.176 9.336 1.00 1.82 O ATOM 41 CB ASP A 3 -16.852 11.773 11.297 1.00 1.90 C ATOM 42 CG ASP A 3 -17.479 12.282 9.988 1.00 1.92 C ATOM 43 OD1 ASP A 3 -18.725 12.218 9.851 1.00 1.98 O ATOM 44 OD2 ASP A 3 -16.737 12.792 9.116 1.00 1.89 O ATOM 0 H ASP A 3 -16.023 10.607 13.286 1.00 1.87 H new ATOM 0 HA ASP A 3 -18.054 9.964 11.351 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -17.317 12.280 12.142 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -15.793 12.030 11.315 1.00 1.90 H new ATOM 49 N GLU A 4 -14.966 9.155 10.599 1.00 1.74 N ATOM 50 CA GLU A 4 -14.209 8.320 9.655 1.00 1.68 C ATOM 51 C GLU A 4 -14.802 6.913 9.644 1.00 1.69 C ATOM 52 O GLU A 4 -15.098 6.367 8.582 1.00 1.68 O ATOM 53 CB GLU A 4 -12.725 8.247 10.042 1.00 1.62 C ATOM 54 CG GLU A 4 -12.019 9.610 10.109 1.00 1.61 C ATOM 55 CD GLU A 4 -11.978 10.148 11.549 1.00 1.65 C ATOM 56 OE1 GLU A 4 -13.020 10.593 12.087 1.00 1.71 O ATOM 57 OE2 GLU A 4 -10.911 10.080 12.200 1.00 1.62 O ATOM 0 H GLU A 4 -14.443 9.434 11.429 1.00 1.74 H new ATOM 0 HA GLU A 4 -14.280 8.768 8.664 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -12.639 7.759 11.013 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -12.204 7.617 9.321 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -11.003 9.515 9.725 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -12.537 10.322 9.467 1.00 1.61 H new ATOM 64 N GLN A 5 -15.073 6.354 10.832 1.00 1.72 N ATOM 65 CA GLN A 5 -15.737 5.054 10.916 1.00 1.75 C ATOM 66 C GLN A 5 -17.129 5.070 10.260 1.00 1.81 C ATOM 67 O GLN A 5 -17.413 4.210 9.428 1.00 1.81 O ATOM 68 CB GLN A 5 -15.782 4.523 12.355 1.00 1.78 C ATOM 69 CG GLN A 5 -14.384 4.092 12.843 1.00 1.73 C ATOM 70 CD GLN A 5 -14.449 2.882 13.771 1.00 1.77 C ATOM 71 OE1 GLN A 5 -14.323 2.978 14.985 1.00 1.80 O ATOM 72 NE2 GLN A 5 -14.652 1.695 13.242 1.00 1.77 N ATOM 0 H GLN A 5 -14.845 6.777 11.732 1.00 1.72 H new ATOM 0 HA GLN A 5 -15.130 4.354 10.342 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -16.177 5.294 13.016 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -16.465 3.675 12.410 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -13.757 3.856 11.983 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -13.910 4.924 13.364 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -14.759 1.598 12.232 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -14.702 0.871 13.842 1.00 1.77 H new ATOM 81 N ALA A 6 -17.961 6.079 10.528 1.00 1.86 N ATOM 82 CA ALA A 6 -19.254 6.239 9.860 1.00 1.92 C ATOM 83 C ALA A 6 -19.114 6.312 8.327 1.00 1.90 C ATOM 84 O ALA A 6 -19.777 5.553 7.609 1.00 1.92 O ATOM 85 CB ALA A 6 -19.956 7.479 10.428 1.00 1.98 C ATOM 0 H ALA A 6 -17.758 6.807 11.213 1.00 1.86 H new ATOM 0 HA ALA A 6 -19.864 5.358 10.059 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -20.921 7.608 9.937 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -20.108 7.352 11.500 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -19.339 8.360 10.251 1.00 1.98 H new ATOM 91 N PHE A 7 -18.201 7.141 7.804 1.00 1.85 N ATOM 92 CA PHE A 7 -17.991 7.246 6.359 1.00 1.83 C ATOM 93 C PHE A 7 -17.236 6.050 5.753 1.00 1.77 C ATOM 94 O PHE A 7 -17.352 5.834 4.541 1.00 1.78 O ATOM 95 CB PHE A 7 -17.448 8.635 5.963 1.00 1.82 C ATOM 96 CG PHE A 7 -15.952 8.932 5.991 1.00 1.75 C ATOM 97 CD1 PHE A 7 -15.068 8.270 5.113 1.00 1.69 C ATOM 98 CD2 PHE A 7 -15.467 10.024 6.742 1.00 1.75 C ATOM 99 CE1 PHE A 7 -13.726 8.669 5.016 1.00 1.63 C ATOM 100 CE2 PHE A 7 -14.118 10.413 6.659 1.00 1.69 C ATOM 101 CZ PHE A 7 -13.243 9.731 5.799 1.00 1.63 C ATOM 0 H PHE A 7 -17.598 7.747 8.361 1.00 1.85 H new ATOM 0 HA PHE A 7 -18.971 7.174 5.887 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -17.794 8.836 4.949 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -17.930 9.364 6.615 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -15.427 7.449 4.510 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -16.140 10.568 7.388 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -13.061 8.157 4.336 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -13.755 11.236 7.257 1.00 1.69 H new ATOM 0 HZ PHE A 7 -12.204 10.021 5.739 1.00 1.63 H new ATOM 111 N LEU A 8 -16.588 5.195 6.568 1.00 1.73 N ATOM 112 CA LEU A 8 -16.033 3.954 6.004 1.00 1.69 C ATOM 113 C LEU A 8 -17.020 2.785 6.135 1.00 1.75 C ATOM 114 O LEU A 8 -16.871 1.794 5.427 1.00 1.73 O ATOM 115 CB LEU A 8 -14.674 3.637 6.660 1.00 1.63 C ATOM 116 CG LEU A 8 -13.478 3.666 5.696 1.00 1.56 C ATOM 117 CD1 LEU A 8 -13.474 2.418 4.822 1.00 1.55 C ATOM 118 CD2 LEU A 8 -13.390 4.928 4.832 1.00 1.55 C ATOM 0 H LEU A 8 -16.441 5.330 7.568 1.00 1.73 H new ATOM 0 HA LEU A 8 -15.868 4.102 4.937 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -14.496 4.354 7.461 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -14.729 2.651 7.121 1.00 1.63 H new ATOM 0 HG LEU A 8 -12.589 3.684 6.327 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -12.621 2.452 4.144 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -13.401 1.532 5.453 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -14.397 2.376 4.243 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -12.517 4.864 4.182 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -14.290 5.016 4.223 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -13.300 5.804 5.475 1.00 1.55 H new ATOM 130 N VAL A 9 -18.057 2.899 6.979 1.00 1.81 N ATOM 131 CA VAL A 9 -19.195 1.958 6.956 1.00 1.87 C ATOM 132 C VAL A 9 -20.083 2.268 5.742 1.00 1.92 C ATOM 133 O VAL A 9 -20.535 1.352 5.046 1.00 1.94 O ATOM 134 CB VAL A 9 -19.985 2.001 8.281 1.00 1.93 C ATOM 135 CG1 VAL A 9 -21.335 1.271 8.208 1.00 2.01 C ATOM 136 CG2 VAL A 9 -19.174 1.325 9.396 1.00 1.91 C ATOM 0 H VAL A 9 -18.134 3.631 7.686 1.00 1.81 H new ATOM 0 HA VAL A 9 -18.820 0.939 6.858 1.00 1.87 H new ATOM 0 HB VAL A 9 -20.166 3.057 8.482 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -21.838 1.340 9.172 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -21.957 1.732 7.440 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -21.169 0.223 7.959 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -19.738 1.359 10.328 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -18.981 0.287 9.127 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -18.227 1.849 9.526 1.00 1.91 H new ATOM 146 N ALA A 10 -20.258 3.552 5.417 1.00 1.93 N ATOM 147 CA ALA A 10 -20.894 3.962 4.165 1.00 1.97 C ATOM 148 C ALA A 10 -20.092 3.506 2.931 1.00 1.92 C ATOM 149 O ALA A 10 -20.679 2.923 2.009 1.00 1.96 O ATOM 150 CB ALA A 10 -21.089 5.483 4.187 1.00 1.99 C ATOM 0 H ALA A 10 -19.965 4.329 6.009 1.00 1.93 H new ATOM 0 HA ALA A 10 -21.866 3.474 4.084 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -21.563 5.803 3.259 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -21.723 5.756 5.031 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -20.120 5.973 4.287 1.00 1.99 H new ATOM 156 N LEU A 11 -18.755 3.682 2.929 1.00 1.84 N ATOM 157 CA LEU A 11 -17.922 3.066 1.889 1.00 1.80 C ATOM 158 C LEU A 11 -18.038 1.545 1.902 1.00 1.80 C ATOM 159 O LEU A 11 -18.169 0.980 0.829 1.00 1.82 O ATOM 160 CB LEU A 11 -16.442 3.469 1.971 1.00 1.71 C ATOM 161 CG LEU A 11 -15.587 2.812 0.856 1.00 1.67 C ATOM 162 CD1 LEU A 11 -15.987 3.217 -0.564 1.00 1.71 C ATOM 163 CD2 LEU A 11 -14.125 3.198 1.026 1.00 1.59 C ATOM 0 H LEU A 11 -18.244 4.232 3.619 1.00 1.84 H new ATOM 0 HA LEU A 11 -18.313 3.451 0.947 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -16.359 4.553 1.897 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -16.044 3.184 2.945 1.00 1.71 H new ATOM 0 HG LEU A 11 -15.755 1.741 0.967 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -15.340 2.713 -1.282 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -17.023 2.931 -0.746 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -15.884 4.296 -0.677 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -13.532 2.732 0.239 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -14.025 4.282 0.963 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -13.769 2.857 1.998 1.00 1.59 H new ATOM 175 N TYR A 12 -18.020 0.867 3.053 1.00 1.80 N ATOM 176 CA TYR A 12 -18.153 -0.594 3.114 1.00 1.81 C ATOM 177 C TYR A 12 -19.406 -1.078 2.378 1.00 1.89 C ATOM 178 O TYR A 12 -19.303 -1.992 1.556 1.00 1.89 O ATOM 179 CB TYR A 12 -18.134 -1.093 4.566 1.00 1.82 C ATOM 180 CG TYR A 12 -18.588 -2.532 4.742 1.00 1.86 C ATOM 181 CD1 TYR A 12 -17.919 -3.576 4.074 1.00 1.84 C ATOM 182 CD2 TYR A 12 -19.727 -2.817 5.525 1.00 1.94 C ATOM 183 CE1 TYR A 12 -18.390 -4.900 4.177 1.00 1.89 C ATOM 184 CE2 TYR A 12 -20.194 -4.139 5.638 1.00 1.99 C ATOM 185 CZ TYR A 12 -19.530 -5.186 4.961 1.00 1.96 C ATOM 186 OH TYR A 12 -19.989 -6.464 5.054 1.00 2.02 O ATOM 0 H TYR A 12 -17.913 1.311 3.965 1.00 1.80 H new ATOM 0 HA TYR A 12 -17.290 -1.021 2.603 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -17.122 -0.994 4.958 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -18.774 -0.447 5.168 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.042 -3.361 3.481 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -20.241 -2.018 6.039 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -17.879 -5.697 3.656 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -21.062 -4.354 6.244 1.00 1.99 H new ATOM 0 HH TYR A 12 -20.780 -6.486 5.633 1.00 2.02 H new ATOM 196 N LYS A 13 -20.556 -0.423 2.590 1.00 1.95 N ATOM 197 CA LYS A 13 -21.762 -0.702 1.799 1.00 2.03 C ATOM 198 C LYS A 13 -21.537 -0.425 0.311 1.00 2.02 C ATOM 199 O LYS A 13 -21.695 -1.353 -0.489 1.00 2.05 O ATOM 200 CB LYS A 13 -22.960 0.059 2.391 1.00 2.10 C ATOM 201 CG LYS A 13 -24.282 -0.329 1.708 1.00 2.18 C ATOM 202 CD LYS A 13 -25.503 0.401 2.293 1.00 2.25 C ATOM 203 CE LYS A 13 -25.790 -0.011 3.744 1.00 2.27 C ATOM 204 NZ LYS A 13 -27.023 0.640 4.262 1.00 2.34 N ATOM 0 H LYS A 13 -20.676 0.300 3.299 1.00 1.95 H new ATOM 0 HA LYS A 13 -21.994 -1.765 1.859 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.029 -0.148 3.459 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -22.797 1.131 2.284 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.211 -0.109 0.643 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -24.430 -1.405 1.802 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -25.335 1.477 2.250 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -26.378 0.190 1.678 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -25.898 -1.094 3.801 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -24.943 0.259 4.374 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -27.188 0.340 5.244 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -26.910 1.673 4.230 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -27.835 0.362 3.675 1.00 2.34 H new ATOM 218 N TYR A 14 -21.114 0.784 -0.083 1.00 2.00 N ATOM 219 CA TYR A 14 -20.851 1.048 -1.504 1.00 2.00 C ATOM 220 C TYR A 14 -19.832 0.112 -2.180 1.00 1.95 C ATOM 221 O TYR A 14 -20.062 -0.324 -3.306 1.00 1.99 O ATOM 222 CB TYR A 14 -20.412 2.514 -1.635 1.00 1.98 C ATOM 223 CG TYR A 14 -20.381 3.026 -3.062 1.00 2.01 C ATOM 224 CD1 TYR A 14 -21.582 3.415 -3.686 1.00 2.10 C ATOM 225 CD2 TYR A 14 -19.163 3.106 -3.767 1.00 1.96 C ATOM 226 CE1 TYR A 14 -21.572 3.880 -5.014 1.00 2.14 C ATOM 227 CE2 TYR A 14 -19.151 3.562 -5.101 1.00 1.99 C ATOM 228 CZ TYR A 14 -20.356 3.949 -5.727 1.00 2.09 C ATOM 229 OH TYR A 14 -20.343 4.357 -7.026 1.00 2.13 O ATOM 0 H TYR A 14 -20.950 1.574 0.541 1.00 2.00 H new ATOM 0 HA TYR A 14 -21.779 0.846 -2.039 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -21.088 3.138 -1.051 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -19.419 2.625 -1.199 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -22.514 3.356 -3.143 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -18.240 2.818 -3.286 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -22.494 4.184 -5.487 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -18.219 3.615 -5.645 1.00 1.99 H new ATOM 0 HH TYR A 14 -19.423 4.346 -7.363 1.00 2.13 H new ATOM 239 N MET A 15 -18.731 -0.244 -1.511 1.00 1.88 N ATOM 240 CA MET A 15 -17.691 -1.098 -2.080 1.00 1.83 C ATOM 241 C MET A 15 -18.117 -2.573 -2.116 1.00 1.86 C ATOM 242 O MET A 15 -17.770 -3.279 -3.063 1.00 1.86 O ATOM 243 CB MET A 15 -16.323 -0.839 -1.442 1.00 1.74 C ATOM 244 CG MET A 15 -16.126 -1.406 -0.036 1.00 1.72 C ATOM 245 SD MET A 15 -14.648 -0.803 0.834 1.00 1.62 S ATOM 246 CE MET A 15 -13.345 -1.054 -0.406 1.00 1.57 C ATOM 0 H MET A 15 -18.538 0.055 -0.555 1.00 1.88 H new ATOM 0 HA MET A 15 -17.563 -0.821 -3.126 1.00 1.83 H new ATOM 0 HB2 MET A 15 -15.555 -1.257 -2.093 1.00 1.74 H new ATOM 0 HB3 MET A 15 -16.158 0.238 -1.405 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.005 -1.167 0.563 1.00 1.72 H new ATOM 0 HG3 MET A 15 -16.072 -2.493 -0.103 1.00 1.72 H new ATOM 0 HE1 MET A 15 -12.414 -0.613 -0.050 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.201 -2.122 -0.571 1.00 1.57 H new ATOM 0 HE3 MET A 15 -13.637 -0.578 -1.342 1.00 1.57 H new ATOM 256 N LYS A 16 -18.954 -3.038 -1.169 1.00 1.90 N ATOM 257 CA LYS A 16 -19.607 -4.353 -1.279 1.00 1.96 C ATOM 258 C LYS A 16 -20.569 -4.398 -2.475 1.00 2.03 C ATOM 259 O LYS A 16 -20.567 -5.372 -3.225 1.00 2.05 O ATOM 260 CB LYS A 16 -20.288 -4.693 0.057 1.00 1.99 C ATOM 261 CG LYS A 16 -20.855 -6.118 0.075 1.00 2.05 C ATOM 262 CD LYS A 16 -21.048 -6.611 1.516 1.00 2.07 C ATOM 263 CE LYS A 16 -21.662 -8.014 1.518 1.00 2.13 C ATOM 264 NZ LYS A 16 -21.543 -8.648 2.853 1.00 2.15 N ATOM 0 H LYS A 16 -19.192 -2.523 -0.322 1.00 1.90 H new ATOM 0 HA LYS A 16 -18.859 -5.121 -1.476 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -19.569 -4.580 0.868 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.093 -3.982 0.244 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -21.808 -6.141 -0.453 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -20.180 -6.789 -0.456 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.089 -6.625 2.035 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -21.695 -5.922 2.060 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -22.712 -7.955 1.233 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.163 -8.633 0.772 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.137 -9.501 2.887 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -20.551 -8.910 3.026 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -21.857 -7.979 3.584 1.00 2.15 H new ATOM 278 N GLU A 17 -21.279 -3.298 -2.735 1.00 2.07 N ATOM 279 CA GLU A 17 -22.065 -3.123 -3.977 1.00 2.13 C ATOM 280 C GLU A 17 -21.188 -2.905 -5.244 1.00 2.10 C ATOM 281 O GLU A 17 -21.712 -2.770 -6.353 1.00 2.16 O ATOM 282 CB GLU A 17 -23.065 -1.971 -3.751 1.00 2.18 C ATOM 283 CG GLU A 17 -24.279 -2.002 -4.689 1.00 2.27 C ATOM 284 CD GLU A 17 -25.326 -0.950 -4.275 1.00 2.33 C ATOM 285 OE1 GLU A 17 -25.257 0.206 -4.758 1.00 2.34 O ATOM 286 OE2 GLU A 17 -26.237 -1.276 -3.475 1.00 2.37 O ATOM 0 H GLU A 17 -21.331 -2.502 -2.099 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.602 -4.049 -4.183 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -23.415 -2.006 -2.719 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -22.544 -1.022 -3.879 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -23.956 -1.815 -5.713 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -24.730 -2.994 -4.673 1.00 2.27 H new ATOM 293 N ARG A 18 -19.853 -2.892 -5.093 1.00 2.02 N ATOM 294 CA ARG A 18 -18.900 -2.819 -6.228 1.00 1.99 C ATOM 295 C ARG A 18 -17.972 -4.048 -6.296 1.00 1.95 C ATOM 296 O ARG A 18 -16.911 -3.998 -6.921 1.00 1.90 O ATOM 297 CB ARG A 18 -18.154 -1.459 -6.223 1.00 1.94 C ATOM 298 CG ARG A 18 -18.859 -0.371 -7.054 1.00 2.01 C ATOM 299 CD ARG A 18 -20.064 0.277 -6.363 1.00 2.06 C ATOM 300 NE ARG A 18 -20.839 1.105 -7.307 1.00 2.13 N ATOM 301 CZ ARG A 18 -21.872 0.722 -8.039 1.00 2.22 C ATOM 302 NH1 ARG A 18 -22.355 -0.490 -8.007 1.00 2.24 N ATOM 303 NH2 ARG A 18 -22.445 1.569 -8.843 1.00 2.28 N ATOM 0 H ARG A 18 -19.397 -2.932 -4.181 1.00 2.02 H new ATOM 0 HA ARG A 18 -19.466 -2.858 -7.158 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -18.054 -1.112 -5.195 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -17.146 -1.605 -6.610 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -18.136 0.407 -7.299 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -19.189 -0.808 -7.996 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -20.706 -0.498 -5.943 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -19.722 0.893 -5.531 1.00 2.06 H new ATOM 0 HE ARG A 18 -20.547 2.077 -7.406 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -21.934 -1.191 -7.398 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -23.154 -0.736 -8.591 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -22.098 2.526 -8.908 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -23.242 1.276 -9.409 1.00 2.28 H new ATOM 317 N LYS A 19 -18.373 -5.170 -5.673 1.00 1.97 N ATOM 318 CA LYS A 19 -17.691 -6.485 -5.674 1.00 1.95 C ATOM 319 C LYS A 19 -16.306 -6.421 -5.018 1.00 1.86 C ATOM 320 O LYS A 19 -15.446 -7.277 -5.251 1.00 1.84 O ATOM 321 CB LYS A 19 -17.677 -7.105 -7.091 1.00 1.99 C ATOM 322 CG LYS A 19 -19.083 -7.226 -7.705 1.00 2.09 C ATOM 323 CD LYS A 19 -19.024 -7.868 -9.098 1.00 2.13 C ATOM 324 CE LYS A 19 -20.431 -7.941 -9.704 1.00 2.22 C ATOM 325 NZ LYS A 19 -20.410 -8.534 -11.069 1.00 2.27 N ATOM 0 H LYS A 19 -19.231 -5.189 -5.122 1.00 1.97 H new ATOM 0 HA LYS A 19 -18.271 -7.163 -5.048 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -17.052 -6.495 -7.743 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -17.220 -8.093 -7.045 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -19.718 -7.824 -7.052 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -19.539 -6.238 -7.775 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -18.369 -7.287 -9.748 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -18.597 -8.869 -9.028 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -21.076 -8.537 -9.058 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -20.861 -6.940 -9.748 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -21.378 -8.568 -11.448 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -19.815 -7.951 -11.692 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -20.023 -9.498 -11.023 1.00 2.27 H new ATOM 339 N THR A 20 -16.118 -5.410 -4.166 1.00 1.82 N ATOM 340 CA THR A 20 -14.835 -5.148 -3.513 1.00 1.73 C ATOM 341 C THR A 20 -15.036 -4.829 -2.018 1.00 1.72 C ATOM 342 O THR A 20 -14.642 -3.754 -1.571 1.00 1.68 O ATOM 343 CB THR A 20 -14.041 -4.045 -4.259 1.00 1.69 C ATOM 344 OG1 THR A 20 -14.053 -4.257 -5.657 1.00 1.72 O ATOM 345 CG2 THR A 20 -12.558 -4.009 -3.878 1.00 1.61 C ATOM 0 H THR A 20 -16.852 -4.750 -3.910 1.00 1.82 H new ATOM 0 HA THR A 20 -14.229 -6.053 -3.565 1.00 1.73 H new ATOM 0 HB THR A 20 -14.537 -3.117 -3.973 1.00 1.69 H new ATOM 0 HG1 THR A 20 -14.957 -4.103 -6.004 1.00 1.72 H new ATOM 0 HG21 THR A 20 -12.059 -3.216 -4.434 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.461 -3.819 -2.809 1.00 1.61 H new ATOM 0 HG23 THR A 20 -12.097 -4.967 -4.119 1.00 1.61 H new ATOM 353 N PRO A 21 -15.698 -5.696 -1.225 1.00 1.76 N ATOM 354 CA PRO A 21 -15.947 -5.444 0.200 1.00 1.76 C ATOM 355 C PRO A 21 -14.655 -5.429 1.036 1.00 1.69 C ATOM 356 O PRO A 21 -13.655 -6.044 0.669 1.00 1.66 O ATOM 357 CB PRO A 21 -16.875 -6.582 0.644 1.00 1.84 C ATOM 358 CG PRO A 21 -16.491 -7.735 -0.279 1.00 1.85 C ATOM 359 CD PRO A 21 -16.198 -7.016 -1.592 1.00 1.82 C ATOM 0 HA PRO A 21 -16.388 -4.458 0.350 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -16.722 -6.839 1.692 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -17.925 -6.311 0.532 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -15.621 -8.279 0.090 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.299 -8.459 -0.383 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.461 -7.563 -2.180 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -17.098 -6.937 -2.202 1.00 1.82 H new ATOM 367 N ILE A 22 -14.704 -4.821 2.227 1.00 1.68 N ATOM 368 CA ILE A 22 -13.610 -4.942 3.227 1.00 1.64 C ATOM 369 C ILE A 22 -13.390 -6.423 3.636 1.00 1.67 C ATOM 370 O ILE A 22 -12.297 -6.825 4.021 1.00 1.64 O ATOM 371 CB ILE A 22 -13.892 -3.987 4.419 1.00 1.64 C ATOM 372 CG1 ILE A 22 -13.862 -2.529 3.916 1.00 1.61 C ATOM 373 CG2 ILE A 22 -12.890 -4.180 5.573 1.00 1.61 C ATOM 374 CD1 ILE A 22 -14.204 -1.468 4.967 1.00 1.62 C ATOM 0 H ILE A 22 -15.484 -4.239 2.532 1.00 1.68 H new ATOM 0 HA ILE A 22 -12.663 -4.627 2.789 1.00 1.64 H new ATOM 0 HB ILE A 22 -14.878 -4.224 4.818 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -12.868 -2.318 3.521 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -14.562 -2.434 3.086 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -13.129 -3.490 6.382 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -12.951 -5.204 5.940 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -11.880 -3.982 5.215 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -14.155 -0.478 4.514 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -15.210 -1.644 5.347 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -13.490 -1.527 5.789 1.00 1.62 H new ATOM 386 N GLU A 23 -14.429 -7.243 3.442 1.00 1.74 N ATOM 387 CA GLU A 23 -14.327 -8.714 3.537 1.00 1.78 C ATOM 388 C GLU A 23 -13.235 -9.364 2.639 1.00 1.75 C ATOM 389 O GLU A 23 -12.887 -10.525 2.873 1.00 1.78 O ATOM 390 CB GLU A 23 -15.694 -9.368 3.279 1.00 1.87 C ATOM 391 CG GLU A 23 -16.761 -8.940 4.293 1.00 1.91 C ATOM 392 CD GLU A 23 -18.066 -9.728 4.082 1.00 2.00 C ATOM 393 OE1 GLU A 23 -18.887 -9.324 3.224 1.00 2.02 O ATOM 394 OE2 GLU A 23 -18.284 -10.754 4.772 1.00 2.06 O ATOM 0 H GLU A 23 -15.366 -6.911 3.215 1.00 1.74 H new ATOM 0 HA GLU A 23 -14.003 -8.907 4.560 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.030 -9.111 2.275 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -15.584 -10.452 3.310 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -16.392 -9.103 5.306 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -16.956 -7.872 4.193 1.00 1.91 H new ATOM 401 N ARG A 24 -12.641 -8.640 1.666 1.00 1.69 N ATOM 402 CA ARG A 24 -11.455 -9.069 0.879 1.00 1.65 C ATOM 403 C ARG A 24 -10.184 -8.234 1.144 1.00 1.57 C ATOM 404 O ARG A 24 -9.196 -8.360 0.419 1.00 1.53 O ATOM 405 CB ARG A 24 -11.816 -9.211 -0.620 1.00 1.67 C ATOM 406 CG ARG A 24 -11.717 -7.926 -1.469 1.00 1.62 C ATOM 407 CD ARG A 24 -12.370 -8.084 -2.851 1.00 1.67 C ATOM 408 NE ARG A 24 -11.675 -9.070 -3.700 1.00 1.67 N ATOM 409 CZ ARG A 24 -12.038 -9.476 -4.908 1.00 1.72 C ATOM 410 NH1 ARG A 24 -13.108 -9.040 -5.515 1.00 1.77 N ATOM 411 NH2 ARG A 24 -11.311 -10.348 -5.544 1.00 1.72 N ATOM 0 H ARG A 24 -12.979 -7.716 1.396 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.176 -10.060 1.238 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -11.162 -9.964 -1.060 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -12.835 -9.592 -0.693 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -12.195 -7.104 -0.936 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -10.668 -7.657 -1.595 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -13.409 -8.388 -2.725 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.380 -7.118 -3.356 1.00 1.67 H new ATOM 0 HE ARG A 24 -10.825 -9.483 -3.317 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.709 -8.354 -5.059 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -13.343 -9.385 -6.446 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -10.464 -10.717 -5.113 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -11.588 -10.662 -6.474 1.00 1.72 H new ATOM 425 N ILE A 25 -10.191 -7.410 2.196 1.00 1.55 N ATOM 426 CA ILE A 25 -9.122 -6.483 2.611 1.00 1.48 C ATOM 427 C ILE A 25 -8.817 -6.724 4.111 1.00 1.49 C ATOM 428 O ILE A 25 -9.259 -5.963 4.977 1.00 1.50 O ATOM 429 CB ILE A 25 -9.501 -5.008 2.299 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.099 -4.807 0.885 1.00 1.46 C ATOM 431 CG2 ILE A 25 -8.233 -4.145 2.455 1.00 1.37 C ATOM 432 CD1 ILE A 25 -10.567 -3.374 0.602 1.00 1.45 C ATOM 0 H ILE A 25 -10.993 -7.366 2.824 1.00 1.55 H new ATOM 0 HA ILE A 25 -8.214 -6.677 2.040 1.00 1.48 H new ATOM 0 HB ILE A 25 -10.281 -4.711 3.000 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.352 -5.087 0.143 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -10.943 -5.485 0.759 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -8.473 -3.104 2.241 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -7.859 -4.229 3.475 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -7.469 -4.492 1.759 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -10.973 -3.317 -0.408 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -11.339 -3.095 1.319 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -9.723 -2.691 0.693 1.00 1.45 H new ATOM 444 N PRO A 26 -8.222 -7.891 4.417 1.00 1.53 N ATOM 445 CA PRO A 26 -8.000 -8.345 5.798 1.00 1.57 C ATOM 446 C PRO A 26 -7.222 -7.405 6.713 1.00 1.52 C ATOM 447 O PRO A 26 -7.784 -6.867 7.671 1.00 1.50 O ATOM 448 CB PRO A 26 -7.265 -9.689 5.629 1.00 1.62 C ATOM 449 CG PRO A 26 -6.720 -9.667 4.244 1.00 1.59 C ATOM 450 CD PRO A 26 -7.694 -8.862 3.436 1.00 1.55 C ATOM 0 HA PRO A 26 -8.959 -8.406 6.313 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -6.467 -9.796 6.364 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -7.944 -10.529 5.771 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -5.727 -9.218 4.221 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -6.622 -10.677 3.846 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -7.207 -8.364 2.598 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -8.485 -9.486 3.020 1.00 1.55 H new ATOM 458 N TYR A 27 -5.947 -7.203 6.424 1.00 1.52 N ATOM 459 CA TYR A 27 -5.105 -6.390 7.285 1.00 1.49 C ATOM 460 C TYR A 27 -4.320 -5.307 6.548 1.00 1.38 C ATOM 461 O TYR A 27 -4.580 -4.963 5.397 1.00 1.34 O ATOM 462 CB TYR A 27 -4.077 -7.328 7.939 1.00 1.61 C ATOM 463 CG TYR A 27 -4.598 -8.221 9.039 1.00 1.65 C ATOM 464 CD1 TYR A 27 -4.702 -7.745 10.334 1.00 1.91 C ATOM 465 CD2 TYR A 27 -4.952 -9.547 8.793 1.00 1.76 C ATOM 466 CE1 TYR A 27 -5.142 -8.554 11.357 1.00 2.21 C ATOM 467 CE2 TYR A 27 -5.401 -10.363 9.813 1.00 2.09 C ATOM 468 CZ TYR A 27 -5.492 -9.863 11.094 1.00 2.29 C ATOM 469 OH TYR A 27 -5.924 -10.672 12.117 1.00 2.75 O ATOM 0 H TYR A 27 -5.475 -7.588 5.606 1.00 1.52 H new ATOM 0 HA TYR A 27 -5.763 -5.888 7.994 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -3.644 -7.958 7.162 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -3.268 -6.721 8.344 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -4.433 -6.721 10.546 1.00 1.91 H new ATOM 0 HD2 TYR A 27 -4.874 -9.942 7.791 1.00 1.76 H new ATOM 0 HE1 TYR A 27 -5.213 -8.166 12.362 1.00 2.21 H new ATOM 0 HE2 TYR A 27 -5.679 -11.386 9.608 1.00 2.09 H new ATOM 0 HH TYR A 27 -6.132 -11.562 11.764 1.00 2.75 H new ATOM 479 N LEU A 28 -3.354 -4.803 7.306 1.00 1.39 N ATOM 480 CA LEU A 28 -2.343 -3.837 6.899 1.00 1.35 C ATOM 481 C LEU A 28 -1.020 -4.561 7.175 1.00 1.35 C ATOM 482 O LEU A 28 -1.056 -5.585 7.846 1.00 1.38 O ATOM 483 CB LEU A 28 -2.463 -2.532 7.706 1.00 1.42 C ATOM 484 CG LEU A 28 -1.416 -1.454 7.412 1.00 1.37 C ATOM 485 CD1 LEU A 28 -1.902 -0.540 6.299 1.00 1.58 C ATOM 486 CD2 LEU A 28 -1.106 -0.657 8.674 1.00 1.77 C ATOM 0 H LEU A 28 -3.250 -5.076 8.283 1.00 1.39 H new ATOM 0 HA LEU A 28 -2.439 -3.532 5.857 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -3.451 -2.108 7.526 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -2.411 -2.779 8.766 1.00 1.42 H new ATOM 0 HG LEU A 28 -0.496 -1.937 7.081 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -1.149 0.222 6.099 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -2.074 -1.126 5.396 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -2.832 -0.060 6.603 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -0.360 0.105 8.449 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -2.016 -0.179 9.035 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -0.719 -1.327 9.442 1.00 1.77 H new ATOM 498 N GLY A 29 0.121 -4.100 6.669 1.00 1.36 N ATOM 499 CA GLY A 29 1.370 -4.852 6.894 1.00 1.41 C ATOM 500 C GLY A 29 1.587 -5.329 8.326 1.00 1.47 C ATOM 501 O GLY A 29 1.761 -6.525 8.546 1.00 1.53 O ATOM 0 H GLY A 29 0.216 -3.245 6.121 1.00 1.36 H new ATOM 0 HA2 GLY A 29 1.378 -5.719 6.233 1.00 1.41 H new ATOM 0 HA3 GLY A 29 2.212 -4.223 6.605 1.00 1.41 H new ATOM 505 N PHE A 30 1.560 -4.434 9.302 1.00 1.52 N ATOM 506 CA PHE A 30 1.734 -4.856 10.700 1.00 1.61 C ATOM 507 C PHE A 30 0.405 -4.936 11.450 1.00 1.61 C ATOM 508 O PHE A 30 0.091 -5.935 12.097 1.00 1.66 O ATOM 509 CB PHE A 30 2.704 -3.941 11.449 1.00 1.76 C ATOM 510 CG PHE A 30 4.150 -4.293 11.233 1.00 1.83 C ATOM 511 CD1 PHE A 30 4.703 -4.272 9.960 1.00 2.24 C ATOM 512 CD2 PHE A 30 4.957 -4.645 12.302 1.00 2.34 C ATOM 513 CE1 PHE A 30 6.032 -4.595 9.760 1.00 2.87 C ATOM 514 CE2 PHE A 30 6.285 -4.969 12.109 1.00 2.75 C ATOM 515 CZ PHE A 30 6.823 -4.942 10.828 1.00 2.93 C ATOM 0 H PHE A 30 1.423 -3.432 9.167 1.00 1.52 H new ATOM 0 HA PHE A 30 2.160 -5.859 10.664 1.00 1.61 H new ATOM 0 HB2 PHE A 30 2.538 -2.911 11.132 1.00 1.76 H new ATOM 0 HB3 PHE A 30 2.483 -3.986 12.515 1.00 1.76 H new ATOM 0 HD1 PHE A 30 4.087 -4.000 9.115 1.00 2.24 H new ATOM 0 HD2 PHE A 30 4.542 -4.666 13.299 1.00 2.34 H new ATOM 0 HE1 PHE A 30 6.449 -4.575 8.764 1.00 2.87 H new ATOM 0 HE2 PHE A 30 6.904 -5.243 12.951 1.00 2.75 H new ATOM 0 HZ PHE A 30 7.862 -5.194 10.672 1.00 2.93 H new ATOM 525 N LYS A 31 -0.360 -3.855 11.358 1.00 1.61 N ATOM 526 CA LYS A 31 -1.647 -3.737 12.043 1.00 1.66 C ATOM 527 C LYS A 31 -2.815 -3.970 11.088 1.00 1.60 C ATOM 528 O LYS A 31 -2.634 -4.416 9.964 1.00 1.53 O ATOM 529 CB LYS A 31 -1.769 -2.350 12.689 1.00 1.73 C ATOM 530 CG LYS A 31 -2.209 -2.396 14.144 1.00 1.80 C ATOM 531 CD LYS A 31 -2.426 -1.001 14.701 1.00 2.09 C ATOM 532 CE LYS A 31 -2.603 -1.025 16.211 1.00 2.48 C ATOM 533 NZ LYS A 31 -1.398 -1.559 16.901 1.00 3.02 N ATOM 0 H LYS A 31 -0.108 -3.034 10.807 1.00 1.61 H new ATOM 0 HA LYS A 31 -1.687 -4.506 12.815 1.00 1.66 H new ATOM 0 HB2 LYS A 31 -0.807 -1.842 12.624 1.00 1.73 H new ATOM 0 HB3 LYS A 31 -2.483 -1.754 12.120 1.00 1.73 H new ATOM 0 HG2 LYS A 31 -3.131 -2.971 14.229 1.00 1.80 H new ATOM 0 HG3 LYS A 31 -1.455 -2.913 14.738 1.00 1.80 H new ATOM 0 HD2 LYS A 31 -1.576 -0.369 14.443 1.00 2.09 H new ATOM 0 HD3 LYS A 31 -3.306 -0.556 14.237 1.00 2.09 H new ATOM 0 HE2 LYS A 31 -2.809 -0.016 16.569 1.00 2.48 H new ATOM 0 HE3 LYS A 31 -3.468 -1.637 16.466 1.00 2.48 H new ATOM 0 HZ1 LYS A 31 -1.388 -1.229 17.887 1.00 3.02 H new ATOM 0 HZ2 LYS A 31 -1.421 -2.599 16.884 1.00 3.02 H new ATOM 0 HZ3 LYS A 31 -0.542 -1.223 16.415 1.00 3.02 H new ATOM 547 N GLN A 32 -4.022 -3.713 11.584 1.00 1.67 N ATOM 548 CA GLN A 32 -5.248 -3.841 10.796 1.00 1.66 C ATOM 549 C GLN A 32 -5.303 -2.731 9.743 1.00 1.58 C ATOM 550 O GLN A 32 -4.480 -1.820 9.782 1.00 1.55 O ATOM 551 CB GLN A 32 -6.468 -3.792 11.715 1.00 1.78 C ATOM 552 CG GLN A 32 -6.760 -5.127 12.384 1.00 1.93 C ATOM 553 CD GLN A 32 -6.082 -5.294 13.739 1.00 2.33 C ATOM 554 OE1 GLN A 32 -6.629 -4.898 14.770 1.00 2.95 O ATOM 555 NE2 GLN A 32 -4.899 -5.903 13.750 1.00 2.75 N ATOM 0 H GLN A 32 -4.180 -3.410 12.545 1.00 1.67 H new ATOM 0 HA GLN A 32 -5.252 -4.802 10.282 1.00 1.66 H new ATOM 0 HB2 GLN A 32 -6.308 -3.034 12.482 1.00 1.78 H new ATOM 0 HB3 GLN A 32 -7.339 -3.483 11.138 1.00 1.78 H new ATOM 0 HG2 GLN A 32 -7.837 -5.232 12.511 1.00 1.93 H new ATOM 0 HG3 GLN A 32 -6.437 -5.932 11.724 1.00 1.93 H new ATOM 0 HE21 GLN A 32 -4.479 -6.216 12.875 1.00 2.75 H new ATOM 0 HE22 GLN A 32 -4.413 -6.056 14.633 1.00 2.75 H new ATOM 564 N ILE A 33 -6.280 -2.786 8.823 1.00 1.56 N ATOM 565 CA ILE A 33 -6.370 -1.797 7.735 1.00 1.51 C ATOM 566 C ILE A 33 -6.399 -0.353 8.251 1.00 1.50 C ATOM 567 O ILE A 33 -5.642 0.481 7.757 1.00 1.47 O ATOM 568 CB ILE A 33 -7.612 -2.032 6.826 1.00 1.53 C ATOM 569 CG1 ILE A 33 -8.915 -2.058 7.642 1.00 1.90 C ATOM 570 CG2 ILE A 33 -7.466 -3.317 6.026 1.00 2.04 C ATOM 571 CD1 ILE A 33 -10.172 -1.935 6.799 1.00 2.36 C ATOM 0 H ILE A 33 -7.012 -3.497 8.810 1.00 1.56 H new ATOM 0 HA ILE A 33 -5.464 -1.940 7.146 1.00 1.51 H new ATOM 0 HB ILE A 33 -7.667 -1.193 6.132 1.00 1.53 H new ATOM 0 HG12 ILE A 33 -8.959 -2.988 8.208 1.00 1.90 H new ATOM 0 HG13 ILE A 33 -8.894 -1.244 8.367 1.00 1.90 H new ATOM 0 HG21 ILE A 33 -8.347 -3.458 5.399 1.00 2.04 H new ATOM 0 HG22 ILE A 33 -6.579 -3.255 5.396 1.00 2.04 H new ATOM 0 HG23 ILE A 33 -7.368 -4.161 6.708 1.00 2.04 H new ATOM 0 HD11 ILE A 33 -11.048 -1.961 7.447 1.00 2.36 H new ATOM 0 HD12 ILE A 33 -10.153 -0.992 6.253 1.00 2.36 H new ATOM 0 HD13 ILE A 33 -10.218 -2.763 6.092 1.00 2.36 H new ATOM 583 N ASN A 34 -7.245 -0.083 9.255 1.00 1.56 N ATOM 584 CA ASN A 34 -7.383 1.249 9.867 1.00 1.58 C ATOM 585 C ASN A 34 -7.241 2.380 8.838 1.00 1.57 C ATOM 586 O ASN A 34 -6.193 3.023 8.725 1.00 1.91 O ATOM 587 CB ASN A 34 -6.365 1.378 11.002 1.00 1.60 C ATOM 588 CG ASN A 34 -6.610 0.347 12.089 1.00 1.73 C ATOM 589 OD1 ASN A 34 -7.743 -0.088 12.309 1.00 2.14 O ATOM 590 ND2 ASN A 34 -5.548 -0.054 12.773 1.00 2.10 N ATOM 0 H ASN A 34 -7.857 -0.786 9.669 1.00 1.56 H new ATOM 0 HA ASN A 34 -8.389 1.348 10.274 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -5.358 1.256 10.604 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -6.420 2.379 11.430 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -5.650 -0.748 13.513 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -4.628 0.331 12.559 1.00 2.10 H new ATOM 597 N LEU A 35 -8.322 2.614 8.100 1.00 1.38 N ATOM 598 CA LEU A 35 -8.354 3.615 7.037 1.00 1.34 C ATOM 599 C LEU A 35 -8.064 5.030 7.535 1.00 1.32 C ATOM 600 O LEU A 35 -7.193 5.706 6.992 1.00 1.28 O ATOM 601 CB LEU A 35 -9.724 3.583 6.351 1.00 1.40 C ATOM 602 CG LEU A 35 -9.856 4.412 5.064 1.00 1.43 C ATOM 603 CD1 LEU A 35 -10.125 5.870 5.387 1.00 1.47 C ATOM 604 CD2 LEU A 35 -8.612 4.291 4.194 1.00 1.52 C ATOM 0 H LEU A 35 -9.203 2.114 8.222 1.00 1.38 H new ATOM 0 HA LEU A 35 -7.562 3.360 6.333 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -9.966 2.546 6.117 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -10.472 3.933 7.062 1.00 1.40 H new ATOM 0 HG LEU A 35 -10.702 4.013 4.505 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -10.215 6.437 4.461 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -11.052 5.952 5.954 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -9.301 6.269 5.979 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -8.739 4.890 3.292 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -7.744 4.649 4.748 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -8.461 3.247 3.918 1.00 1.52 H new ATOM 616 N TRP A 36 -8.809 5.471 8.546 1.00 1.37 N ATOM 617 CA TRP A 36 -8.660 6.830 9.094 1.00 1.37 C ATOM 618 C TRP A 36 -7.183 7.199 9.372 1.00 1.32 C ATOM 619 O TRP A 36 -6.784 8.352 9.215 1.00 1.31 O ATOM 620 CB TRP A 36 -9.497 7.002 10.370 1.00 1.45 C ATOM 621 CG TRP A 36 -9.229 5.978 11.430 1.00 1.50 C ATOM 622 CD1 TRP A 36 -9.593 4.663 11.410 1.00 1.55 C ATOM 623 CD2 TRP A 36 -8.553 6.190 12.674 1.00 1.53 C ATOM 624 NE1 TRP A 36 -9.167 4.039 12.554 1.00 1.61 N ATOM 625 CE2 TRP A 36 -8.531 4.956 13.349 1.00 1.60 C ATOM 626 CE3 TRP A 36 -7.961 7.302 13.282 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -7.939 4.802 14.599 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -7.376 7.146 14.524 1.00 1.61 C ATOM 629 CH2 TRP A 36 -7.368 5.904 15.170 1.00 1.66 C ATOM 0 H TRP A 36 -9.525 4.911 9.008 1.00 1.37 H new ATOM 0 HA TRP A 36 -9.029 7.515 8.330 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -9.307 7.993 10.783 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -10.553 6.964 10.105 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -10.137 4.184 10.610 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -9.302 3.053 12.777 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -7.961 8.264 12.790 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -7.931 3.845 15.100 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -6.917 7.997 15.005 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -6.901 5.815 16.140 1.00 1.66 H new ATOM 640 N THR A 37 -6.391 6.205 9.787 1.00 1.32 N ATOM 641 CA THR A 37 -4.959 6.373 10.102 1.00 1.29 C ATOM 642 C THR A 37 -4.093 6.498 8.846 1.00 1.23 C ATOM 643 O THR A 37 -3.319 7.448 8.752 1.00 1.21 O ATOM 644 CB THR A 37 -4.434 5.224 10.978 1.00 1.34 C ATOM 645 OG1 THR A 37 -5.149 5.178 12.194 1.00 1.41 O ATOM 646 CG2 THR A 37 -2.963 5.382 11.367 1.00 1.35 C ATOM 0 H THR A 37 -6.724 5.250 9.917 1.00 1.32 H new ATOM 0 HA THR A 37 -4.883 7.307 10.658 1.00 1.29 H new ATOM 0 HB THR A 37 -4.559 4.323 10.377 1.00 1.34 H new ATOM 0 HG1 THR A 37 -4.810 4.442 12.745 1.00 1.41 H new ATOM 0 HG21 THR A 37 -2.657 4.537 11.984 1.00 1.35 H new ATOM 0 HG22 THR A 37 -2.350 5.414 10.466 1.00 1.35 H new ATOM 0 HG23 THR A 37 -2.832 6.308 11.928 1.00 1.35 H new ATOM 654 N MET A 38 -4.223 5.609 7.849 1.00 1.20 N ATOM 655 CA MET A 38 -3.488 5.785 6.577 1.00 1.15 C ATOM 656 C MET A 38 -3.913 7.066 5.834 1.00 1.13 C ATOM 657 O MET A 38 -3.092 7.692 5.167 1.00 1.11 O ATOM 658 CB MET A 38 -3.563 4.551 5.660 1.00 1.14 C ATOM 659 CG MET A 38 -4.974 4.138 5.236 1.00 1.17 C ATOM 660 SD MET A 38 -5.049 3.212 3.679 1.00 1.17 S ATOM 661 CE MET A 38 -5.895 1.695 4.197 1.00 1.25 C ATOM 0 H MET A 38 -4.814 4.779 7.891 1.00 1.20 H new ATOM 0 HA MET A 38 -2.440 5.899 6.855 1.00 1.15 H new ATOM 0 HB2 MET A 38 -2.975 4.748 4.764 1.00 1.14 H new ATOM 0 HB3 MET A 38 -3.094 3.710 6.171 1.00 1.14 H new ATOM 0 HG2 MET A 38 -5.415 3.531 6.027 1.00 1.17 H new ATOM 0 HG3 MET A 38 -5.588 5.033 5.142 1.00 1.17 H new ATOM 0 HE1 MET A 38 -6.215 1.138 3.316 1.00 1.25 H new ATOM 0 HE2 MET A 38 -5.214 1.082 4.786 1.00 1.25 H new ATOM 0 HE3 MET A 38 -6.766 1.952 4.800 1.00 1.25 H new ATOM 671 N PHE A 39 -5.171 7.486 6.007 1.00 1.17 N ATOM 672 CA PHE A 39 -5.650 8.771 5.503 1.00 1.19 C ATOM 673 C PHE A 39 -4.942 9.953 6.164 1.00 1.20 C ATOM 674 O PHE A 39 -4.265 10.705 5.466 1.00 1.20 O ATOM 675 CB PHE A 39 -7.168 8.884 5.648 1.00 1.25 C ATOM 676 CG PHE A 39 -7.695 10.226 5.169 1.00 1.30 C ATOM 677 CD1 PHE A 39 -7.599 10.569 3.806 1.00 1.30 C ATOM 678 CD2 PHE A 39 -8.233 11.149 6.085 1.00 1.36 C ATOM 679 CE1 PHE A 39 -8.054 11.820 3.356 1.00 1.37 C ATOM 680 CE2 PHE A 39 -8.675 12.408 5.637 1.00 1.43 C ATOM 681 CZ PHE A 39 -8.581 12.743 4.275 1.00 1.44 C ATOM 0 H PHE A 39 -5.881 6.944 6.499 1.00 1.17 H new ATOM 0 HA PHE A 39 -5.405 8.810 4.442 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -7.645 8.085 5.080 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -7.443 8.740 6.693 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -7.174 9.867 3.104 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -8.307 10.891 7.131 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -7.999 12.071 2.307 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -9.087 13.117 6.340 1.00 1.43 H new ATOM 0 HZ PHE A 39 -8.915 13.712 3.934 1.00 1.44 H new ATOM 691 N GLN A 40 -5.028 10.122 7.491 1.00 1.24 N ATOM 692 CA GLN A 40 -4.348 11.261 8.136 1.00 1.27 C ATOM 693 C GLN A 40 -2.814 11.211 7.974 1.00 1.25 C ATOM 694 O GLN A 40 -2.176 12.261 7.889 1.00 1.28 O ATOM 695 CB GLN A 40 -4.791 11.400 9.603 1.00 1.33 C ATOM 696 CG GLN A 40 -4.201 10.323 10.523 1.00 1.33 C ATOM 697 CD GLN A 40 -4.950 10.214 11.845 1.00 1.39 C ATOM 698 OE1 GLN A 40 -4.535 10.713 12.881 1.00 1.44 O ATOM 699 NE2 GLN A 40 -6.077 9.537 11.852 1.00 1.40 N ATOM 0 H GLN A 40 -5.543 9.509 8.123 1.00 1.24 H new ATOM 0 HA GLN A 40 -4.659 12.166 7.615 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -4.497 12.383 9.972 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -5.879 11.353 9.652 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -4.227 9.360 10.013 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -3.154 10.551 10.720 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -6.426 9.119 10.990 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -6.602 9.430 12.720 1.00 1.40 H new ATOM 708 N ALA A 41 -2.224 10.015 7.842 1.00 1.21 N ATOM 709 CA ALA A 41 -0.825 9.848 7.461 1.00 1.20 C ATOM 710 C ALA A 41 -0.550 10.393 6.050 1.00 1.18 C ATOM 711 O ALA A 41 0.310 11.256 5.889 1.00 1.21 O ATOM 712 CB ALA A 41 -0.441 8.369 7.580 1.00 1.18 C ATOM 0 H ALA A 41 -2.712 9.133 7.999 1.00 1.21 H new ATOM 0 HA ALA A 41 -0.204 10.431 8.141 1.00 1.20 H new ATOM 0 HB1 ALA A 41 0.603 8.240 7.296 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -0.581 8.038 8.609 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -1.072 7.775 6.919 1.00 1.18 H new ATOM 718 N ALA A 42 -1.315 9.978 5.036 1.00 1.14 N ATOM 719 CA ALA A 42 -1.203 10.519 3.681 1.00 1.14 C ATOM 720 C ALA A 42 -1.401 12.042 3.635 1.00 1.20 C ATOM 721 O ALA A 42 -0.671 12.726 2.929 1.00 1.23 O ATOM 722 CB ALA A 42 -2.195 9.797 2.760 1.00 1.11 C ATOM 0 H ALA A 42 -2.030 9.257 5.133 1.00 1.14 H new ATOM 0 HA ALA A 42 -0.187 10.339 3.329 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -2.113 10.199 1.750 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -1.969 8.731 2.746 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -3.210 9.947 3.129 1.00 1.11 H new ATOM 728 N GLN A 43 -2.325 12.585 4.436 1.00 1.23 N ATOM 729 CA GLN A 43 -2.574 14.031 4.486 1.00 1.31 C ATOM 730 C GLN A 43 -1.408 14.808 5.133 1.00 1.35 C ATOM 731 O GLN A 43 -1.196 15.978 4.808 1.00 1.42 O ATOM 732 CB GLN A 43 -3.907 14.330 5.194 1.00 1.35 C ATOM 733 CG GLN A 43 -5.146 13.815 4.432 1.00 1.35 C ATOM 734 CD GLN A 43 -5.261 14.340 2.998 1.00 1.38 C ATOM 735 OE1 GLN A 43 -5.139 15.525 2.722 1.00 1.45 O ATOM 736 NE2 GLN A 43 -5.480 13.479 2.026 1.00 1.35 N ATOM 0 H GLN A 43 -2.917 12.040 5.063 1.00 1.23 H new ATOM 0 HA GLN A 43 -2.646 14.381 3.456 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -3.889 13.880 6.187 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -4.000 15.407 5.334 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -5.117 12.726 4.407 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -6.042 14.098 4.984 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -5.584 12.487 2.238 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -5.545 13.804 1.062 1.00 1.35 H new ATOM 745 N LYS A 44 -0.610 14.139 5.980 1.00 1.33 N ATOM 746 CA LYS A 44 0.635 14.716 6.512 1.00 1.39 C ATOM 747 C LYS A 44 1.762 14.623 5.483 1.00 1.39 C ATOM 748 O LYS A 44 2.430 15.619 5.204 1.00 1.45 O ATOM 749 CB LYS A 44 0.986 14.000 7.827 1.00 1.39 C ATOM 750 CG LYS A 44 2.126 14.696 8.587 1.00 1.47 C ATOM 751 CD LYS A 44 2.563 13.921 9.838 1.00 1.49 C ATOM 752 CE LYS A 44 1.402 13.658 10.806 1.00 1.49 C ATOM 753 NZ LYS A 44 1.890 13.059 12.072 1.00 1.53 N ATOM 0 H LYS A 44 -0.806 13.195 6.312 1.00 1.33 H new ATOM 0 HA LYS A 44 0.497 15.777 6.719 1.00 1.39 H new ATOM 0 HB2 LYS A 44 0.101 13.959 8.462 1.00 1.39 H new ATOM 0 HB3 LYS A 44 1.272 12.970 7.612 1.00 1.39 H new ATOM 0 HG2 LYS A 44 2.981 14.816 7.922 1.00 1.47 H new ATOM 0 HG3 LYS A 44 1.806 15.697 8.878 1.00 1.47 H new ATOM 0 HD2 LYS A 44 3.002 12.970 9.537 1.00 1.49 H new ATOM 0 HD3 LYS A 44 3.342 14.482 10.355 1.00 1.49 H new ATOM 0 HE2 LYS A 44 0.882 14.592 11.018 1.00 1.49 H new ATOM 0 HE3 LYS A 44 0.679 12.990 10.339 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 1.152 12.446 12.473 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 2.743 12.495 11.883 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 2.118 13.815 12.749 1.00 1.53 H new ATOM 767 N LEU A 45 1.902 13.448 4.864 1.00 1.32 N ATOM 768 CA LEU A 45 2.840 13.239 3.753 1.00 1.32 C ATOM 769 C LEU A 45 2.400 13.900 2.404 1.00 1.34 C ATOM 770 O LEU A 45 3.007 13.617 1.367 1.00 1.34 O ATOM 771 CB LEU A 45 3.187 11.722 3.653 1.00 1.27 C ATOM 772 CG LEU A 45 4.092 11.070 4.742 1.00 1.30 C ATOM 773 CD1 LEU A 45 5.319 11.924 5.065 1.00 1.39 C ATOM 774 CD2 LEU A 45 3.386 10.757 6.059 1.00 1.29 C ATOM 0 H LEU A 45 1.370 12.615 5.117 1.00 1.32 H new ATOM 0 HA LEU A 45 3.761 13.778 3.977 1.00 1.32 H new ATOM 0 HB2 LEU A 45 2.246 11.172 3.637 1.00 1.27 H new ATOM 0 HB3 LEU A 45 3.668 11.559 2.688 1.00 1.27 H new ATOM 0 HG LEU A 45 4.386 10.126 4.283 1.00 1.30 H new ATOM 0 HD11 LEU A 45 5.917 11.427 5.829 1.00 1.39 H new ATOM 0 HD12 LEU A 45 5.918 12.056 4.164 1.00 1.39 H new ATOM 0 HD13 LEU A 45 4.998 12.898 5.433 1.00 1.39 H new ATOM 0 HD21 LEU A 45 4.095 10.306 6.754 1.00 1.29 H new ATOM 0 HD22 LEU A 45 2.992 11.678 6.489 1.00 1.29 H new ATOM 0 HD23 LEU A 45 2.566 10.063 5.876 1.00 1.29 H new ATOM 786 N GLY A 46 1.394 14.796 2.406 1.00 1.36 N ATOM 787 CA GLY A 46 1.111 15.660 1.227 1.00 1.42 C ATOM 788 C GLY A 46 -0.093 15.284 0.340 1.00 1.40 C ATOM 789 O GLY A 46 -0.140 15.624 -0.845 1.00 1.44 O ATOM 0 H GLY A 46 0.767 14.945 3.197 1.00 1.36 H new ATOM 0 HA2 GLY A 46 0.960 16.678 1.585 1.00 1.42 H new ATOM 0 HA3 GLY A 46 2.001 15.672 0.598 1.00 1.42 H new ATOM 793 N GLY A 47 -1.053 14.581 0.938 1.00 1.34 N ATOM 794 CA GLY A 47 -2.161 13.952 0.225 1.00 1.32 C ATOM 795 C GLY A 47 -1.723 12.907 -0.806 1.00 1.28 C ATOM 796 O GLY A 47 -0.540 12.754 -1.124 1.00 1.27 O ATOM 0 H GLY A 47 -1.083 14.431 1.946 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -2.824 13.478 0.949 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -2.741 14.725 -0.280 1.00 1.32 H new ATOM 800 N TYR A 48 -2.708 12.215 -1.381 1.00 1.27 N ATOM 801 CA TYR A 48 -2.473 11.316 -2.522 1.00 1.26 C ATOM 802 C TYR A 48 -1.729 11.984 -3.698 1.00 1.32 C ATOM 803 O TYR A 48 -1.094 11.299 -4.502 1.00 1.31 O ATOM 804 CB TYR A 48 -3.815 10.733 -2.977 1.00 1.28 C ATOM 805 CG TYR A 48 -3.698 9.521 -3.884 1.00 1.26 C ATOM 806 CD1 TYR A 48 -3.460 8.251 -3.326 1.00 1.20 C ATOM 807 CD2 TYR A 48 -3.838 9.659 -5.278 1.00 1.33 C ATOM 808 CE1 TYR A 48 -3.396 7.113 -4.151 1.00 1.21 C ATOM 809 CE2 TYR A 48 -3.756 8.525 -6.110 1.00 1.33 C ATOM 810 CZ TYR A 48 -3.546 7.250 -5.547 1.00 1.27 C ATOM 811 OH TYR A 48 -3.496 6.159 -6.356 1.00 1.29 O ATOM 0 H TYR A 48 -3.681 12.257 -1.077 1.00 1.27 H new ATOM 0 HA TYR A 48 -1.809 10.521 -2.182 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -4.395 10.458 -2.096 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -4.376 11.509 -3.498 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -3.326 8.149 -2.259 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -4.008 10.634 -5.710 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -3.233 6.138 -3.717 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -3.854 8.633 -7.180 1.00 1.33 H new ATOM 0 HH TYR A 48 -3.619 6.437 -7.288 1.00 1.29 H new ATOM 821 N GLU A 49 -1.760 13.319 -3.802 1.00 1.39 N ATOM 822 CA GLU A 49 -1.140 14.029 -4.932 1.00 1.47 C ATOM 823 C GLU A 49 0.384 14.125 -4.806 1.00 1.46 C ATOM 824 O GLU A 49 1.094 13.767 -5.750 1.00 1.48 O ATOM 825 CB GLU A 49 -1.767 15.422 -5.076 1.00 1.57 C ATOM 826 CG GLU A 49 -3.168 15.313 -5.691 1.00 1.61 C ATOM 827 CD GLU A 49 -3.911 16.655 -5.639 1.00 1.71 C ATOM 828 OE1 GLU A 49 -3.562 17.592 -6.398 1.00 1.80 O ATOM 829 OE2 GLU A 49 -4.872 16.762 -4.840 1.00 1.72 O ATOM 0 H GLU A 49 -2.207 13.930 -3.119 1.00 1.39 H new ATOM 0 HA GLU A 49 -1.336 13.448 -5.833 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -1.827 15.904 -4.100 1.00 1.57 H new ATOM 0 HB3 GLU A 49 -1.135 16.050 -5.703 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -3.087 14.980 -6.726 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -3.743 14.557 -5.157 1.00 1.61 H new ATOM 836 N THR A 50 0.916 14.518 -3.639 1.00 1.44 N ATOM 837 CA THR A 50 2.363 14.423 -3.372 1.00 1.45 C ATOM 838 C THR A 50 2.808 12.963 -3.367 1.00 1.37 C ATOM 839 O THR A 50 3.869 12.640 -3.899 1.00 1.40 O ATOM 840 CB THR A 50 2.766 15.092 -2.049 1.00 1.46 C ATOM 841 OG1 THR A 50 2.348 16.441 -2.043 1.00 1.54 O ATOM 842 CG2 THR A 50 4.279 15.113 -1.826 1.00 1.50 C ATOM 0 H THR A 50 0.371 14.903 -2.867 1.00 1.44 H new ATOM 0 HA THR A 50 2.866 14.960 -4.176 1.00 1.45 H new ATOM 0 HB THR A 50 2.291 14.503 -1.264 1.00 1.46 H new ATOM 0 HG1 THR A 50 1.449 16.503 -1.659 1.00 1.54 H new ATOM 0 HG21 THR A 50 4.500 15.598 -0.875 1.00 1.50 H new ATOM 0 HG22 THR A 50 4.658 14.091 -1.809 1.00 1.50 H new ATOM 0 HG23 THR A 50 4.758 15.665 -2.635 1.00 1.50 H new ATOM 850 N ILE A 51 1.966 12.061 -2.850 1.00 1.30 N ATOM 851 CA ILE A 51 2.219 10.615 -2.913 1.00 1.24 C ATOM 852 C ILE A 51 2.425 10.124 -4.356 1.00 1.27 C ATOM 853 O ILE A 51 3.375 9.390 -4.617 1.00 1.27 O ATOM 854 CB ILE A 51 1.090 9.875 -2.149 1.00 1.18 C ATOM 855 CG1 ILE A 51 1.543 9.449 -0.740 1.00 1.14 C ATOM 856 CG2 ILE A 51 0.520 8.654 -2.879 1.00 1.15 C ATOM 857 CD1 ILE A 51 1.694 10.634 0.225 1.00 1.17 C ATOM 0 H ILE A 51 1.096 12.309 -2.379 1.00 1.30 H new ATOM 0 HA ILE A 51 3.162 10.384 -2.417 1.00 1.24 H new ATOM 0 HB ILE A 51 0.288 10.610 -2.082 1.00 1.18 H new ATOM 0 HG12 ILE A 51 0.821 8.743 -0.330 1.00 1.14 H new ATOM 0 HG13 ILE A 51 2.495 8.924 -0.814 1.00 1.14 H new ATOM 0 HG21 ILE A 51 -0.263 8.200 -2.272 1.00 1.15 H new ATOM 0 HG22 ILE A 51 0.102 8.965 -3.836 1.00 1.15 H new ATOM 0 HG23 ILE A 51 1.315 7.928 -3.049 1.00 1.15 H new ATOM 0 HD11 ILE A 51 2.015 10.270 1.201 1.00 1.17 H new ATOM 0 HD12 ILE A 51 2.437 11.329 -0.166 1.00 1.17 H new ATOM 0 HD13 ILE A 51 0.737 11.146 0.326 1.00 1.17 H new ATOM 869 N THR A 52 1.583 10.550 -5.295 1.00 1.30 N ATOM 870 CA THR A 52 1.708 10.142 -6.707 1.00 1.35 C ATOM 871 C THR A 52 2.883 10.827 -7.400 1.00 1.42 C ATOM 872 O THR A 52 3.587 10.186 -8.184 1.00 1.45 O ATOM 873 CB THR A 52 0.394 10.411 -7.457 1.00 1.39 C ATOM 874 OG1 THR A 52 -0.619 9.636 -6.854 1.00 1.34 O ATOM 875 CG2 THR A 52 0.428 9.987 -8.926 1.00 1.45 C ATOM 0 H THR A 52 0.802 11.180 -5.110 1.00 1.30 H new ATOM 0 HA THR A 52 1.910 9.071 -6.725 1.00 1.35 H new ATOM 0 HB THR A 52 0.223 11.486 -7.409 1.00 1.39 H new ATOM 0 HG1 THR A 52 -0.916 10.072 -6.028 1.00 1.34 H new ATOM 0 HG21 THR A 52 -0.533 10.207 -9.391 1.00 1.45 H new ATOM 0 HG22 THR A 52 1.216 10.534 -9.444 1.00 1.45 H new ATOM 0 HG23 THR A 52 0.626 8.917 -8.991 1.00 1.45 H new ATOM 883 N ALA A 53 3.156 12.089 -7.063 1.00 1.47 N ATOM 884 CA ALA A 53 4.313 12.812 -7.586 1.00 1.55 C ATOM 885 C ALA A 53 5.671 12.289 -7.058 1.00 1.54 C ATOM 886 O ALA A 53 6.688 12.515 -7.722 1.00 1.61 O ATOM 887 CB ALA A 53 4.133 14.298 -7.251 1.00 1.61 C ATOM 0 H ALA A 53 2.582 12.636 -6.421 1.00 1.47 H new ATOM 0 HA ALA A 53 4.351 12.652 -8.664 1.00 1.55 H new ATOM 0 HB1 ALA A 53 4.985 14.862 -7.631 1.00 1.61 H new ATOM 0 HB2 ALA A 53 3.218 14.667 -7.714 1.00 1.61 H new ATOM 0 HB3 ALA A 53 4.069 14.422 -6.170 1.00 1.61 H new ATOM 893 N ARG A 54 5.702 11.606 -5.897 1.00 1.47 N ATOM 894 CA ARG A 54 6.982 11.283 -5.215 1.00 1.49 C ATOM 895 C ARG A 54 7.158 9.830 -4.745 1.00 1.44 C ATOM 896 O ARG A 54 8.251 9.486 -4.296 1.00 1.48 O ATOM 897 CB ARG A 54 7.152 12.222 -4.002 1.00 1.51 C ATOM 898 CG ARG A 54 7.201 13.731 -4.307 1.00 1.59 C ATOM 899 CD ARG A 54 8.411 14.164 -5.152 1.00 1.68 C ATOM 900 NE ARG A 54 9.702 13.846 -4.502 1.00 1.72 N ATOM 901 CZ ARG A 54 10.310 14.526 -3.545 1.00 1.77 C ATOM 902 NH1 ARG A 54 9.814 15.621 -3.039 1.00 1.79 N ATOM 903 NH2 ARG A 54 11.450 14.113 -3.072 1.00 1.82 N ATOM 0 H ARG A 54 4.870 11.269 -5.413 1.00 1.47 H new ATOM 0 HA ARG A 54 7.748 11.427 -5.977 1.00 1.49 H new ATOM 0 HB2 ARG A 54 6.329 12.040 -3.311 1.00 1.51 H new ATOM 0 HB3 ARG A 54 8.071 11.948 -3.484 1.00 1.51 H new ATOM 0 HG2 ARG A 54 6.287 14.015 -4.829 1.00 1.59 H new ATOM 0 HG3 ARG A 54 7.214 14.280 -3.366 1.00 1.59 H new ATOM 0 HD2 ARG A 54 8.366 13.671 -6.123 1.00 1.68 H new ATOM 0 HD3 ARG A 54 8.356 15.237 -5.336 1.00 1.68 H new ATOM 0 HE ARG A 54 10.177 13.005 -4.830 1.00 1.72 H new ATOM 0 HH11 ARG A 54 8.924 15.983 -3.381 1.00 1.79 H new ATOM 0 HH12 ARG A 54 10.316 16.115 -2.301 1.00 1.79 H new ATOM 0 HH21 ARG A 54 11.877 13.263 -3.440 1.00 1.82 H new ATOM 0 HH22 ARG A 54 11.917 14.640 -2.334 1.00 1.82 H new ATOM 917 N ARG A 55 6.126 8.976 -4.839 1.00 1.37 N ATOM 918 CA ARG A 55 6.069 7.627 -4.221 1.00 1.32 C ATOM 919 C ARG A 55 6.407 7.719 -2.729 1.00 1.31 C ATOM 920 O ARG A 55 7.316 7.080 -2.201 1.00 1.35 O ATOM 921 CB ARG A 55 6.888 6.595 -5.034 1.00 1.37 C ATOM 922 CG ARG A 55 6.678 6.677 -6.562 1.00 1.40 C ATOM 923 CD ARG A 55 5.216 6.531 -7.026 1.00 1.35 C ATOM 924 NE ARG A 55 4.873 7.513 -8.077 1.00 1.40 N ATOM 925 CZ ARG A 55 5.106 7.437 -9.373 1.00 1.46 C ATOM 926 NH1 ARG A 55 5.695 6.415 -9.926 1.00 1.49 N ATOM 927 NH2 ARG A 55 4.741 8.422 -10.138 1.00 1.51 N ATOM 0 H ARG A 55 5.280 9.205 -5.361 1.00 1.37 H new ATOM 0 HA ARG A 55 5.052 7.237 -4.263 1.00 1.32 H new ATOM 0 HB2 ARG A 55 7.947 6.737 -4.817 1.00 1.37 H new ATOM 0 HB3 ARG A 55 6.625 5.593 -4.696 1.00 1.37 H new ATOM 0 HG2 ARG A 55 7.062 7.634 -6.916 1.00 1.40 H new ATOM 0 HG3 ARG A 55 7.274 5.899 -7.038 1.00 1.40 H new ATOM 0 HD2 ARG A 55 5.054 5.522 -7.405 1.00 1.35 H new ATOM 0 HD3 ARG A 55 4.549 6.663 -6.174 1.00 1.35 H new ATOM 0 HE ARG A 55 4.395 8.356 -7.759 1.00 1.40 H new ATOM 0 HH11 ARG A 55 5.998 5.628 -9.351 1.00 1.49 H new ATOM 0 HH12 ARG A 55 5.854 6.401 -10.934 1.00 1.49 H new ATOM 0 HH21 ARG A 55 4.282 9.238 -9.734 1.00 1.51 H new ATOM 0 HH22 ARG A 55 4.914 8.379 -11.142 1.00 1.51 H new ATOM 941 N GLN A 56 5.621 8.579 -2.074 1.00 1.28 N ATOM 942 CA GLN A 56 5.859 8.951 -0.675 1.00 1.29 C ATOM 943 C GLN A 56 5.273 7.930 0.326 1.00 1.24 C ATOM 944 O GLN A 56 5.427 8.115 1.532 1.00 1.25 O ATOM 945 CB GLN A 56 5.341 10.380 -0.411 1.00 1.30 C ATOM 946 CG GLN A 56 6.231 11.204 0.539 1.00 1.37 C ATOM 947 CD GLN A 56 7.367 11.924 -0.191 1.00 1.46 C ATOM 948 OE1 GLN A 56 7.163 12.935 -0.850 1.00 1.49 O ATOM 949 NE2 GLN A 56 8.599 11.470 -0.118 1.00 1.51 N ATOM 0 H GLN A 56 4.810 9.033 -2.493 1.00 1.28 H new ATOM 0 HA GLN A 56 6.936 8.936 -0.510 1.00 1.29 H new ATOM 0 HB2 GLN A 56 5.257 10.906 -1.362 1.00 1.30 H new ATOM 0 HB3 GLN A 56 4.337 10.320 0.009 1.00 1.30 H new ATOM 0 HG2 GLN A 56 5.617 11.938 1.060 1.00 1.37 H new ATOM 0 HG3 GLN A 56 6.653 10.545 1.298 1.00 1.37 H new ATOM 0 HE21 GLN A 56 8.802 10.630 0.423 1.00 1.51 H new ATOM 0 HE22 GLN A 56 9.352 11.958 -0.603 1.00 1.51 H new ATOM 958 N TRP A 57 4.646 6.833 -0.133 1.00 1.19 N ATOM 959 CA TRP A 57 4.160 5.745 0.733 1.00 1.17 C ATOM 960 C TRP A 57 5.241 5.166 1.649 1.00 1.24 C ATOM 961 O TRP A 57 4.938 4.812 2.785 1.00 1.24 O ATOM 962 CB TRP A 57 3.507 4.619 -0.076 1.00 1.15 C ATOM 963 CG TRP A 57 2.190 4.970 -0.674 1.00 1.11 C ATOM 964 CD1 TRP A 57 1.975 5.362 -1.948 1.00 1.11 C ATOM 965 CD2 TRP A 57 0.888 4.970 -0.018 1.00 1.07 C ATOM 966 NE1 TRP A 57 0.633 5.629 -2.114 1.00 1.09 N ATOM 967 CE2 TRP A 57 -0.085 5.422 -0.957 1.00 1.07 C ATOM 968 CE3 TRP A 57 0.434 4.652 1.279 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -1.437 5.580 -0.616 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -0.918 4.790 1.628 1.00 1.06 C ATOM 971 CH2 TRP A 57 -1.847 5.258 0.687 1.00 1.06 C ATOM 0 H TRP A 57 4.461 6.675 -1.124 1.00 1.19 H new ATOM 0 HA TRP A 57 3.407 6.207 1.371 1.00 1.17 H new ATOM 0 HB2 TRP A 57 4.187 4.322 -0.875 1.00 1.15 H new ATOM 0 HB3 TRP A 57 3.378 3.752 0.572 1.00 1.15 H new ATOM 0 HD1 TRP A 57 2.732 5.452 -2.713 1.00 1.11 H new ATOM 0 HE1 TRP A 57 0.220 5.943 -2.992 1.00 1.09 H new ATOM 0 HE3 TRP A 57 1.139 4.296 2.016 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -2.149 5.943 -1.343 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -1.245 4.535 2.625 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -2.884 5.371 0.967 1.00 1.06 H new ATOM 982 N LYS A 58 6.474 5.254 1.221 1.00 1.32 N ATOM 983 CA LYS A 58 7.574 4.805 2.032 1.00 1.42 C ATOM 984 C LYS A 58 7.705 5.687 3.285 1.00 1.43 C ATOM 985 O LYS A 58 8.220 5.243 4.310 1.00 1.51 O ATOM 986 CB LYS A 58 8.844 4.792 1.195 1.00 1.54 C ATOM 987 CG LYS A 58 8.787 3.788 0.048 1.00 1.98 C ATOM 988 CD LYS A 58 7.989 2.539 0.421 1.00 2.07 C ATOM 989 CE LYS A 58 8.587 1.826 1.625 1.00 2.58 C ATOM 990 NZ LYS A 58 7.536 1.240 2.506 1.00 2.89 N ATOM 0 H LYS A 58 6.741 5.634 0.313 1.00 1.32 H new ATOM 0 HA LYS A 58 7.394 3.788 2.379 1.00 1.42 H new ATOM 0 HB2 LYS A 58 9.017 5.789 0.790 1.00 1.54 H new ATOM 0 HB3 LYS A 58 9.694 4.556 1.836 1.00 1.54 H new ATOM 0 HG2 LYS A 58 8.336 4.260 -0.825 1.00 1.98 H new ATOM 0 HG3 LYS A 58 9.800 3.501 -0.233 1.00 1.98 H new ATOM 0 HD2 LYS A 58 6.958 2.818 0.639 1.00 2.07 H new ATOM 0 HD3 LYS A 58 7.962 1.857 -0.429 1.00 2.07 H new ATOM 0 HE2 LYS A 58 9.256 1.036 1.283 1.00 2.58 H new ATOM 0 HE3 LYS A 58 9.191 2.528 2.199 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 7.875 1.227 3.489 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 6.672 1.815 2.445 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 7.328 0.269 2.199 1.00 2.89 H new ATOM 1004 N HIS A 59 7.252 6.947 3.178 1.00 1.39 N ATOM 1005 CA HIS A 59 7.269 7.885 4.307 1.00 1.40 C ATOM 1006 C HIS A 59 6.125 7.596 5.296 1.00 1.32 C ATOM 1007 O HIS A 59 6.236 7.921 6.474 1.00 1.35 O ATOM 1008 CB HIS A 59 7.258 9.331 3.819 1.00 1.43 C ATOM 1009 CG HIS A 59 8.591 9.787 3.296 1.00 1.58 C ATOM 1010 ND1 HIS A 59 9.039 11.086 3.408 1.00 1.81 N ATOM 1011 CD2 HIS A 59 9.577 9.109 2.650 1.00 1.59 C ATOM 1012 CE1 HIS A 59 10.235 11.190 2.854 1.00 1.93 C ATOM 1013 NE2 HIS A 59 10.584 10.005 2.386 1.00 1.79 N ATOM 0 H HIS A 59 6.869 7.338 2.317 1.00 1.39 H new ATOM 0 HA HIS A 59 8.201 7.737 4.853 1.00 1.40 H new ATOM 0 HB2 HIS A 59 6.510 9.437 3.033 1.00 1.43 H new ATOM 0 HB3 HIS A 59 6.954 9.982 4.638 1.00 1.43 H new ATOM 0 HD2 HIS A 59 9.570 8.060 2.392 1.00 1.59 H new ATOM 0 HE1 HIS A 59 10.827 12.092 2.794 1.00 1.93 H new ATOM 0 HE2 HIS A 59 11.459 9.790 1.907 1.00 1.79 H new ATOM 1022 N ILE A 60 4.994 7.050 4.809 1.00 1.23 N ATOM 1023 CA ILE A 60 3.918 6.600 5.705 1.00 1.20 C ATOM 1024 C ILE A 60 4.515 5.523 6.608 1.00 1.27 C ATOM 1025 O ILE A 60 4.349 5.622 7.814 1.00 1.33 O ATOM 1026 CB ILE A 60 2.661 6.123 4.946 1.00 1.15 C ATOM 1027 CG1 ILE A 60 1.968 7.361 4.332 1.00 1.14 C ATOM 1028 CG2 ILE A 60 1.702 5.358 5.881 1.00 1.18 C ATOM 1029 CD1 ILE A 60 0.821 7.029 3.375 1.00 1.14 C ATOM 0 H ILE A 60 4.806 6.912 3.816 1.00 1.23 H new ATOM 0 HA ILE A 60 3.555 7.434 6.305 1.00 1.20 H new ATOM 0 HB ILE A 60 2.950 5.430 4.155 1.00 1.15 H new ATOM 0 HG12 ILE A 60 1.584 7.985 5.139 1.00 1.14 H new ATOM 0 HG13 ILE A 60 2.712 7.952 3.798 1.00 1.14 H new ATOM 0 HG21 ILE A 60 0.826 5.035 5.318 1.00 1.18 H new ATOM 0 HG22 ILE A 60 2.212 4.486 6.291 1.00 1.18 H new ATOM 0 HG23 ILE A 60 1.389 6.012 6.695 1.00 1.18 H new ATOM 0 HD11 ILE A 60 0.390 7.953 2.989 1.00 1.14 H new ATOM 0 HD12 ILE A 60 1.200 6.432 2.546 1.00 1.14 H new ATOM 0 HD13 ILE A 60 0.055 6.466 3.907 1.00 1.14 H new ATOM 1041 N TYR A 61 5.309 4.590 6.072 1.00 1.31 N ATOM 1042 CA TYR A 61 6.123 3.648 6.856 1.00 1.43 C ATOM 1043 C TYR A 61 7.028 4.359 7.891 1.00 1.53 C ATOM 1044 O TYR A 61 7.259 3.836 8.983 1.00 1.64 O ATOM 1045 CB TYR A 61 6.940 2.781 5.887 1.00 1.46 C ATOM 1046 CG TYR A 61 7.973 1.866 6.517 1.00 1.62 C ATOM 1047 CD1 TYR A 61 7.593 0.621 7.060 1.00 1.68 C ATOM 1048 CD2 TYR A 61 9.329 2.251 6.523 1.00 1.73 C ATOM 1049 CE1 TYR A 61 8.567 -0.241 7.605 1.00 1.84 C ATOM 1050 CE2 TYR A 61 10.304 1.393 7.066 1.00 1.89 C ATOM 1051 CZ TYR A 61 9.927 0.145 7.606 1.00 1.94 C ATOM 1052 OH TYR A 61 10.885 -0.678 8.110 1.00 2.11 O ATOM 0 H TYR A 61 5.407 4.464 5.065 1.00 1.31 H new ATOM 0 HA TYR A 61 5.456 3.015 7.442 1.00 1.43 H new ATOM 0 HB2 TYR A 61 6.248 2.169 5.308 1.00 1.46 H new ATOM 0 HB3 TYR A 61 7.449 3.440 5.184 1.00 1.46 H new ATOM 0 HD1 TYR A 61 6.554 0.327 7.058 1.00 1.68 H new ATOM 0 HD2 TYR A 61 9.620 3.206 6.110 1.00 1.73 H new ATOM 0 HE1 TYR A 61 8.275 -1.194 8.021 1.00 1.84 H new ATOM 0 HE2 TYR A 61 11.342 1.690 7.069 1.00 1.89 H new ATOM 0 HH TYR A 61 10.908 -1.509 7.592 1.00 2.11 H new ATOM 1062 N ASP A 62 7.466 5.578 7.558 1.00 1.52 N ATOM 1063 CA ASP A 62 8.206 6.433 8.500 1.00 1.62 C ATOM 1064 C ASP A 62 7.324 6.893 9.675 1.00 1.61 C ATOM 1065 O ASP A 62 7.680 6.675 10.835 1.00 1.72 O ATOM 1066 CB ASP A 62 8.930 7.597 7.809 1.00 1.65 C ATOM 1067 CG ASP A 62 9.947 8.249 8.761 1.00 1.79 C ATOM 1068 OD1 ASP A 62 11.043 7.674 8.963 1.00 1.92 O ATOM 1069 OD2 ASP A 62 9.662 9.345 9.301 1.00 1.79 O ATOM 0 H ASP A 62 7.321 5.998 6.640 1.00 1.52 H new ATOM 0 HA ASP A 62 8.994 5.812 8.926 1.00 1.62 H new ATOM 0 HB2 ASP A 62 9.440 7.235 6.916 1.00 1.65 H new ATOM 0 HB3 ASP A 62 8.203 8.340 7.481 1.00 1.65 H new ATOM 1074 N GLU A 63 6.138 7.442 9.394 1.00 1.50 N ATOM 1075 CA GLU A 63 5.150 7.758 10.442 1.00 1.50 C ATOM 1076 C GLU A 63 4.627 6.522 11.218 1.00 1.56 C ATOM 1077 O GLU A 63 4.419 6.609 12.430 1.00 1.66 O ATOM 1078 CB GLU A 63 4.000 8.554 9.806 1.00 1.41 C ATOM 1079 CG GLU A 63 2.915 9.015 10.794 1.00 1.44 C ATOM 1080 CD GLU A 63 3.433 9.917 11.927 1.00 1.53 C ATOM 1081 OE1 GLU A 63 4.207 10.866 11.655 1.00 1.53 O ATOM 1082 OE2 GLU A 63 2.993 9.761 13.091 1.00 1.61 O ATOM 0 H GLU A 63 5.834 7.679 8.449 1.00 1.50 H new ATOM 0 HA GLU A 63 5.655 8.357 11.200 1.00 1.50 H new ATOM 0 HB2 GLU A 63 4.415 9.430 9.308 1.00 1.41 H new ATOM 0 HB3 GLU A 63 3.534 7.940 9.036 1.00 1.41 H new ATOM 0 HG2 GLU A 63 2.142 9.551 10.243 1.00 1.44 H new ATOM 0 HG3 GLU A 63 2.442 8.136 11.232 1.00 1.44 H new ATOM 1089 N LEU A 64 4.457 5.360 10.566 1.00 1.54 N ATOM 1090 CA LEU A 64 4.108 4.082 11.213 1.00 1.64 C ATOM 1091 C LEU A 64 5.205 3.599 12.182 1.00 1.79 C ATOM 1092 O LEU A 64 4.911 2.848 13.116 1.00 1.90 O ATOM 1093 CB LEU A 64 3.856 2.963 10.170 1.00 1.59 C ATOM 1094 CG LEU A 64 2.674 3.145 9.202 1.00 1.48 C ATOM 1095 CD1 LEU A 64 2.576 1.942 8.263 1.00 1.46 C ATOM 1096 CD2 LEU A 64 1.334 3.327 9.921 1.00 1.53 C ATOM 0 H LEU A 64 4.560 5.280 9.554 1.00 1.54 H new ATOM 0 HA LEU A 64 3.194 4.278 11.774 1.00 1.64 H new ATOM 0 HB2 LEU A 64 4.762 2.847 9.576 1.00 1.59 H new ATOM 0 HB3 LEU A 64 3.707 2.028 10.710 1.00 1.59 H new ATOM 0 HG LEU A 64 2.872 4.057 8.640 1.00 1.48 H new ATOM 0 HD11 LEU A 64 1.737 2.080 7.582 1.00 1.46 H new ATOM 0 HD12 LEU A 64 3.498 1.852 7.689 1.00 1.46 H new ATOM 0 HD13 LEU A 64 2.423 1.035 8.848 1.00 1.46 H new ATOM 0 HD21 LEU A 64 0.540 3.450 9.185 1.00 1.53 H new ATOM 0 HD22 LEU A 64 1.128 2.449 10.534 1.00 1.53 H new ATOM 0 HD23 LEU A 64 1.380 4.211 10.557 1.00 1.53 H new ATOM 1108 N GLY A 65 6.468 3.620 11.696 1.00 1.82 N ATOM 1109 CA GLY A 65 7.598 3.136 12.515 1.00 2.01 C ATOM 1110 C GLY A 65 8.827 2.739 11.680 1.00 2.12 C ATOM 1111 O GLY A 65 8.689 2.427 10.499 1.00 1.99 O ATOM 0 H GLY A 65 6.724 3.957 10.768 1.00 1.82 H new ATOM 0 HA2 GLY A 65 7.884 3.914 13.223 1.00 2.01 H new ATOM 0 HA3 GLY A 65 7.272 2.276 13.100 1.00 2.01 H new ATOM 1115 N GLY A 66 10.030 2.706 12.264 1.00 2.43 N ATOM 1116 CA GLY A 66 11.179 2.254 11.482 1.00 2.61 C ATOM 1117 C GLY A 66 11.552 0.800 11.785 1.00 2.81 C ATOM 1118 O GLY A 66 11.540 0.389 12.941 1.00 3.02 O ATOM 0 H GLY A 66 10.227 2.973 13.228 1.00 2.43 H new ATOM 0 HA2 GLY A 66 10.956 2.356 10.420 1.00 2.61 H new ATOM 0 HA3 GLY A 66 12.034 2.897 11.691 1.00 2.61 H new ATOM 1122 N ASN A 67 11.851 0.010 10.745 1.00 2.79 N ATOM 1123 CA ASN A 67 12.308 -1.380 10.917 1.00 3.02 C ATOM 1124 C ASN A 67 13.256 -1.740 9.761 1.00 3.12 C ATOM 1125 O ASN A 67 12.826 -2.280 8.743 1.00 2.83 O ATOM 1126 CB ASN A 67 11.118 -2.345 11.021 1.00 2.85 C ATOM 1127 CG ASN A 67 11.526 -3.738 11.482 1.00 3.14 C ATOM 1128 OD1 ASN A 67 11.613 -4.002 12.682 1.00 3.57 O ATOM 1129 ND2 ASN A 67 11.775 -4.638 10.536 1.00 3.34 N ATOM 0 H ASN A 67 11.785 0.309 9.772 1.00 2.79 H new ATOM 0 HA ASN A 67 12.856 -1.475 11.854 1.00 3.02 H new ATOM 0 HB2 ASN A 67 10.385 -1.937 11.717 1.00 2.85 H new ATOM 0 HB3 ASN A 67 10.629 -2.418 10.050 1.00 2.85 H new ATOM 0 HD21 ASN A 67 12.049 -5.586 10.794 1.00 3.34 H new ATOM 0 HD22 ASN A 67 11.692 -4.381 9.553 1.00 3.34 H new ATOM 1136 N PRO A 68 14.560 -1.481 9.929 1.00 3.59 N ATOM 1137 CA PRO A 68 15.578 -1.701 8.881 1.00 3.82 C ATOM 1138 C PRO A 68 15.571 -3.073 8.182 1.00 3.69 C ATOM 1139 O PRO A 68 15.684 -4.122 8.815 1.00 3.80 O ATOM 1140 CB PRO A 68 16.916 -1.484 9.614 1.00 4.46 C ATOM 1141 CG PRO A 68 16.579 -1.352 11.067 1.00 4.52 C ATOM 1142 CD PRO A 68 15.150 -0.905 11.140 1.00 3.98 C ATOM 0 HA PRO A 68 15.380 -1.020 8.053 1.00 3.82 H new ATOM 0 HB2 PRO A 68 17.593 -2.322 9.446 1.00 4.46 H new ATOM 0 HB3 PRO A 68 17.420 -0.589 9.248 1.00 4.46 H new ATOM 0 HG2 PRO A 68 16.714 -2.302 11.583 1.00 4.52 H new ATOM 0 HG3 PRO A 68 17.235 -0.630 11.552 1.00 4.52 H new ATOM 0 HD2 PRO A 68 14.659 -1.271 12.041 1.00 3.98 H new ATOM 0 HD3 PRO A 68 15.068 0.182 11.151 1.00 3.98 H new ATOM 1150 N GLY A 69 15.452 -3.012 6.843 1.00 3.53 N ATOM 1151 CA GLY A 69 15.513 -4.196 5.981 1.00 3.44 C ATOM 1152 C GLY A 69 14.180 -4.743 5.472 1.00 2.86 C ATOM 1153 O GLY A 69 14.160 -5.421 4.442 1.00 2.82 O ATOM 0 H GLY A 69 15.311 -2.140 6.333 1.00 3.53 H new ATOM 0 HA2 GLY A 69 16.135 -3.957 5.118 1.00 3.44 H new ATOM 0 HA3 GLY A 69 16.020 -4.990 6.529 1.00 3.44 H new ATOM 1157 N SER A 70 13.072 -4.475 6.156 1.00 2.44 N ATOM 1158 CA SER A 70 11.772 -4.976 5.695 1.00 2.00 C ATOM 1159 C SER A 70 10.779 -3.845 5.447 1.00 1.53 C ATOM 1160 O SER A 70 10.562 -3.000 6.318 1.00 1.46 O ATOM 1161 CB SER A 70 11.188 -5.975 6.692 1.00 2.18 C ATOM 1162 OG SER A 70 12.094 -7.034 6.932 1.00 2.80 O ATOM 0 H SER A 70 13.041 -3.926 7.015 1.00 2.44 H new ATOM 0 HA SER A 70 11.946 -5.482 4.746 1.00 2.00 H new ATOM 0 HB2 SER A 70 10.958 -5.468 7.629 1.00 2.18 H new ATOM 0 HB3 SER A 70 10.250 -6.374 6.307 1.00 2.18 H new ATOM 0 HG SER A 70 11.701 -7.661 7.574 1.00 2.80 H new ATOM 1168 N THR A 71 10.176 -3.838 4.261 1.00 1.44 N ATOM 1169 CA THR A 71 9.195 -2.819 3.905 1.00 1.46 C ATOM 1170 C THR A 71 8.093 -3.388 3.021 1.00 1.45 C ATOM 1171 O THR A 71 8.271 -3.534 1.809 1.00 1.87 O ATOM 1172 CB THR A 71 9.834 -1.638 3.163 1.00 1.83 C ATOM 1173 OG1 THR A 71 11.114 -2.013 2.664 1.00 2.27 O ATOM 1174 CG2 THR A 71 9.973 -0.423 4.059 1.00 2.08 C ATOM 0 H THR A 71 10.350 -4.528 3.530 1.00 1.44 H new ATOM 0 HA THR A 71 8.774 -2.471 4.848 1.00 1.46 H new ATOM 0 HB THR A 71 9.177 -1.373 2.334 1.00 1.83 H new ATOM 0 HG1 THR A 71 11.032 -2.836 2.138 1.00 2.27 H new ATOM 0 HG21 THR A 71 10.429 0.392 3.498 1.00 2.08 H new ATOM 0 HG22 THR A 71 8.988 -0.115 4.410 1.00 2.08 H new ATOM 0 HG23 THR A 71 10.602 -0.672 4.914 1.00 2.08 H new ATOM 1182 N SER A 72 6.956 -3.710 3.631 1.00 1.38 N ATOM 1183 CA SER A 72 5.811 -4.242 2.891 1.00 1.57 C ATOM 1184 C SER A 72 4.507 -3.843 3.564 1.00 1.49 C ATOM 1185 O SER A 72 3.452 -4.403 3.275 1.00 1.91 O ATOM 1186 CB SER A 72 5.883 -5.764 2.787 1.00 2.05 C ATOM 1187 OG SER A 72 5.977 -6.358 4.070 1.00 2.49 O ATOM 0 H SER A 72 6.801 -3.613 4.634 1.00 1.38 H new ATOM 0 HA SER A 72 5.843 -3.819 1.887 1.00 1.57 H new ATOM 0 HB2 SER A 72 4.998 -6.139 2.273 1.00 2.05 H new ATOM 0 HB3 SER A 72 6.746 -6.050 2.186 1.00 2.05 H new ATOM 0 HG SER A 72 5.766 -7.313 4.005 1.00 2.49 H new ATOM 1193 N ALA A 73 4.583 -2.873 4.461 1.00 1.18 N ATOM 1194 CA ALA A 73 3.408 -2.409 5.172 1.00 1.24 C ATOM 1195 C ALA A 73 2.752 -1.234 4.462 1.00 1.27 C ATOM 1196 O ALA A 73 1.628 -1.347 3.985 1.00 1.39 O ATOM 1197 CB ALA A 73 3.764 -2.039 6.604 1.00 1.32 C ATOM 0 H ALA A 73 5.447 -2.393 4.712 1.00 1.18 H new ATOM 0 HA ALA A 73 2.687 -3.226 5.191 1.00 1.24 H new ATOM 0 HB1 ALA A 73 2.870 -1.693 7.123 1.00 1.32 H new ATOM 0 HB2 ALA A 73 4.166 -2.913 7.117 1.00 1.32 H new ATOM 0 HB3 ALA A 73 4.511 -1.246 6.600 1.00 1.32 H new ATOM 1203 N ALA A 74 3.474 -0.120 4.376 1.00 1.27 N ATOM 1204 CA ALA A 74 2.960 1.094 3.747 1.00 1.40 C ATOM 1205 C ALA A 74 2.969 1.016 2.222 1.00 1.28 C ATOM 1206 O ALA A 74 2.211 1.727 1.557 1.00 1.34 O ATOM 1207 CB ALA A 74 3.742 2.303 4.223 1.00 1.61 C ATOM 0 H ALA A 74 4.424 -0.033 4.737 1.00 1.27 H new ATOM 0 HA ALA A 74 1.918 1.195 4.050 1.00 1.40 H new ATOM 0 HB1 ALA A 74 3.349 3.201 3.747 1.00 1.61 H new ATOM 0 HB2 ALA A 74 3.647 2.395 5.305 1.00 1.61 H new ATOM 0 HB3 ALA A 74 4.793 2.183 3.960 1.00 1.61 H new ATOM 1213 N THR A 75 3.830 0.164 1.665 1.00 1.16 N ATOM 1214 CA THR A 75 3.901 -0.005 0.217 1.00 1.15 C ATOM 1215 C THR A 75 2.616 -0.646 -0.287 1.00 1.20 C ATOM 1216 O THR A 75 2.048 -0.235 -1.300 1.00 1.25 O ATOM 1217 CB THR A 75 5.097 -0.884 -0.202 1.00 1.17 C ATOM 1218 OG1 THR A 75 6.132 -0.811 0.785 1.00 1.24 O ATOM 1219 CG2 THR A 75 5.646 -0.430 -1.546 1.00 1.66 C ATOM 0 H THR A 75 4.483 -0.416 2.192 1.00 1.16 H new ATOM 0 HA THR A 75 4.034 0.984 -0.223 1.00 1.15 H new ATOM 0 HB THR A 75 4.752 -1.914 -0.289 1.00 1.17 H new ATOM 0 HG1 THR A 75 6.886 -1.374 0.511 1.00 1.24 H new ATOM 0 HG21 THR A 75 6.489 -1.061 -1.826 1.00 1.66 H new ATOM 0 HG22 THR A 75 4.866 -0.509 -2.303 1.00 1.66 H new ATOM 0 HG23 THR A 75 5.977 0.606 -1.473 1.00 1.66 H new ATOM 1227 N CYS A 76 2.175 -1.660 0.446 1.00 1.24 N ATOM 1228 CA CYS A 76 0.949 -2.381 0.138 1.00 1.36 C ATOM 1229 C CYS A 76 -0.284 -1.520 0.418 1.00 1.39 C ATOM 1230 O CYS A 76 -1.338 -1.722 -0.186 1.00 1.46 O ATOM 1231 CB CYS A 76 0.889 -3.675 0.946 1.00 1.46 C ATOM 1232 SG CYS A 76 2.247 -4.812 0.592 1.00 1.61 S ATOM 0 H CYS A 76 2.660 -2.006 1.274 1.00 1.24 H new ATOM 0 HA CYS A 76 0.952 -2.623 -0.925 1.00 1.36 H new ATOM 0 HB2 CYS A 76 0.898 -3.431 2.008 1.00 1.46 H new ATOM 0 HB3 CYS A 76 -0.057 -4.177 0.742 1.00 1.46 H new ATOM 0 HG CYS A 76 3.011 -4.915 1.639 1.00 1.61 H new ATOM 1238 N THR A 77 -0.145 -0.581 1.362 1.00 1.35 N ATOM 1239 CA THR A 77 -1.237 0.321 1.745 1.00 1.39 C ATOM 1240 C THR A 77 -1.768 1.125 0.551 1.00 1.34 C ATOM 1241 O THR A 77 -2.941 1.490 0.526 1.00 1.38 O ATOM 1242 CB THR A 77 -0.799 1.298 2.859 1.00 1.41 C ATOM 1243 OG1 THR A 77 -0.162 0.585 3.919 1.00 1.48 O ATOM 1244 CG2 THR A 77 -1.983 2.059 3.430 1.00 1.49 C ATOM 0 H THR A 77 0.721 -0.426 1.878 1.00 1.35 H new ATOM 0 HA THR A 77 -2.039 -0.316 2.119 1.00 1.39 H new ATOM 0 HB THR A 77 -0.104 2.009 2.411 1.00 1.41 H new ATOM 0 HG1 THR A 77 0.457 -0.076 3.543 1.00 1.48 H new ATOM 0 HG21 THR A 77 -1.638 2.737 4.211 1.00 1.49 H new ATOM 0 HG22 THR A 77 -2.463 2.633 2.637 1.00 1.49 H new ATOM 0 HG23 THR A 77 -2.699 1.354 3.852 1.00 1.49 H new ATOM 1252 N ARG A 78 -0.903 1.403 -0.434 1.00 1.27 N ATOM 1253 CA ARG A 78 -1.302 2.157 -1.631 1.00 1.25 C ATOM 1254 C ARG A 78 -2.442 1.454 -2.365 1.00 1.30 C ATOM 1255 O ARG A 78 -3.387 2.089 -2.836 1.00 1.29 O ATOM 1256 CB ARG A 78 -0.110 2.327 -2.586 1.00 1.25 C ATOM 1257 CG ARG A 78 -0.470 3.053 -3.880 1.00 1.33 C ATOM 1258 CD ARG A 78 0.754 3.346 -4.738 1.00 1.40 C ATOM 1259 NE ARG A 78 0.452 4.300 -5.809 1.00 1.56 N ATOM 1260 CZ ARG A 78 1.188 5.380 -6.080 1.00 1.92 C ATOM 1261 NH1 ARG A 78 2.284 5.638 -5.378 1.00 2.01 N ATOM 1262 NH2 ARG A 78 0.829 6.202 -7.057 1.00 2.42 N ATOM 0 H ARG A 78 0.076 1.118 -0.426 1.00 1.27 H new ATOM 0 HA ARG A 78 -1.644 3.139 -1.304 1.00 1.25 H new ATOM 0 HB2 ARG A 78 0.679 2.879 -2.076 1.00 1.25 H new ATOM 0 HB3 ARG A 78 0.294 1.344 -2.829 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -1.174 2.447 -4.450 1.00 1.33 H new ATOM 0 HG3 ARG A 78 -0.976 3.989 -3.641 1.00 1.33 H new ATOM 0 HD2 ARG A 78 1.551 3.745 -4.110 1.00 1.40 H new ATOM 0 HD3 ARG A 78 1.124 2.417 -5.172 1.00 1.40 H new ATOM 0 HE ARG A 78 -0.373 4.128 -6.384 1.00 1.56 H new ATOM 0 HH11 ARG A 78 2.568 5.009 -4.627 1.00 2.01 H new ATOM 0 HH12 ARG A 78 2.842 6.465 -5.590 1.00 2.01 H new ATOM 0 HH21 ARG A 78 -0.011 6.009 -7.603 1.00 2.42 H new ATOM 0 HH22 ARG A 78 1.393 7.027 -7.263 1.00 2.42 H new ATOM 1276 N ARG A 79 -2.334 0.136 -2.438 1.00 1.37 N ATOM 1277 CA ARG A 79 -3.313 -0.714 -3.104 1.00 1.45 C ATOM 1278 C ARG A 79 -4.621 -0.855 -2.318 1.00 1.48 C ATOM 1279 O ARG A 79 -5.676 -1.075 -2.912 1.00 1.54 O ATOM 1280 CB ARG A 79 -2.716 -2.093 -3.438 1.00 1.52 C ATOM 1281 CG ARG A 79 -1.443 -2.000 -4.301 1.00 1.51 C ATOM 1282 CD ARG A 79 -0.917 -3.381 -4.713 1.00 1.59 C ATOM 1283 NE ARG A 79 -1.805 -4.047 -5.690 1.00 1.67 N ATOM 1284 CZ ARG A 79 -1.670 -5.267 -6.178 1.00 1.76 C ATOM 1285 NH1 ARG A 79 -0.691 -6.050 -5.825 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -2.524 -5.729 -7.046 1.00 1.82 N ATOM 0 H ARG A 79 -1.554 -0.381 -2.032 1.00 1.37 H new ATOM 0 HA ARG A 79 -3.568 -0.212 -4.037 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -2.483 -2.617 -2.511 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -3.462 -2.689 -3.963 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -1.655 -1.413 -5.195 1.00 1.51 H new ATOM 0 HG3 ARG A 79 -0.669 -1.469 -3.747 1.00 1.51 H new ATOM 0 HD2 ARG A 79 0.079 -3.275 -5.143 1.00 1.59 H new ATOM 0 HD3 ARG A 79 -0.817 -4.009 -3.828 1.00 1.59 H new ATOM 0 HE ARG A 79 -2.605 -3.508 -6.022 1.00 1.67 H new ATOM 0 HH11 ARG A 79 0.003 -5.727 -5.151 1.00 1.79 H new ATOM 0 HH12 ARG A 79 -0.618 -6.986 -6.223 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -3.304 -5.148 -7.353 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -2.413 -6.672 -7.418 1.00 1.82 H new ATOM 1300 N HIS A 80 -4.566 -0.684 -0.997 1.00 1.47 N ATOM 1301 CA HIS A 80 -5.742 -0.572 -0.135 1.00 1.50 C ATOM 1302 C HIS A 80 -6.381 0.819 -0.271 1.00 1.44 C ATOM 1303 O HIS A 80 -7.566 0.913 -0.579 1.00 1.48 O ATOM 1304 CB HIS A 80 -5.348 -0.912 1.315 1.00 1.52 C ATOM 1305 CG HIS A 80 -4.697 -2.272 1.461 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -4.977 -3.408 0.739 1.00 1.62 N flip ATOM 1307 CD2 HIS A 80 -3.704 -2.608 2.355 1.00 1.68 C flip ATOM 1308 CE1 HIS A 80 -4.144 -4.437 1.199 1.00 1.70 C flip ATOM 1309 NE2 HIS A 80 -3.395 -3.905 2.178 1.00 1.74 N flip ATOM 0 H HIS A 80 -3.685 -0.618 -0.487 1.00 1.47 H new ATOM 0 HA HIS A 80 -6.502 -1.289 -0.446 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -4.664 -0.149 1.686 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -6.238 -0.875 1.943 1.00 1.52 H new ATOM 0 HD1 HIS A 80 -5.672 -3.488 -0.004 1.00 1.62 H new ATOM 0 HD2 HIS A 80 -3.251 -1.943 3.075 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -4.111 -5.454 0.838 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -2.690 -4.413 2.713 1.00 1.74 H new ATOM 1318 N TYR A 81 -5.603 1.906 -0.151 1.00 1.35 N ATOM 1319 CA TYR A 81 -6.101 3.289 -0.237 1.00 1.29 C ATOM 1320 C TYR A 81 -6.851 3.576 -1.546 1.00 1.32 C ATOM 1321 O TYR A 81 -7.890 4.242 -1.524 1.00 1.34 O ATOM 1322 CB TYR A 81 -4.917 4.257 -0.055 1.00 1.21 C ATOM 1323 CG TYR A 81 -5.274 5.732 0.116 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -5.721 6.496 -0.983 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -5.102 6.359 1.366 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -6.015 7.866 -0.828 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -5.325 7.744 1.506 1.00 1.12 C ATOM 1328 CZ TYR A 81 -5.798 8.503 0.414 1.00 1.12 C ATOM 1329 OH TYR A 81 -6.071 9.826 0.578 1.00 1.11 O ATOM 0 H TYR A 81 -4.597 1.849 0.011 1.00 1.35 H new ATOM 0 HA TYR A 81 -6.830 3.435 0.560 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -4.345 3.939 0.817 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -4.260 4.161 -0.919 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -5.839 6.028 -1.949 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -4.798 5.775 2.222 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -6.407 8.430 -1.661 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -5.133 8.226 2.453 1.00 1.12 H new ATOM 0 HH TYR A 81 -6.721 10.112 -0.097 1.00 1.11 H new ATOM 1339 N GLU A 82 -6.396 3.021 -2.680 1.00 1.34 N ATOM 1340 CA GLU A 82 -6.990 3.263 -3.995 1.00 1.39 C ATOM 1341 C GLU A 82 -8.368 2.606 -4.165 1.00 1.50 C ATOM 1342 O GLU A 82 -9.037 2.834 -5.177 1.00 1.56 O ATOM 1343 CB GLU A 82 -6.018 2.912 -5.134 1.00 1.40 C ATOM 1344 CG GLU A 82 -5.845 1.417 -5.384 1.00 1.46 C ATOM 1345 CD GLU A 82 -5.103 1.157 -6.706 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -5.743 1.287 -7.781 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -3.901 0.800 -6.681 1.00 1.46 O ATOM 0 H GLU A 82 -5.598 2.386 -2.705 1.00 1.34 H new ATOM 0 HA GLU A 82 -7.174 4.336 -4.057 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -6.370 3.382 -6.052 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -5.043 3.344 -4.908 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -5.291 0.969 -4.559 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -6.822 0.935 -5.411 1.00 1.46 H new ATOM 1354 N ARG A 83 -8.799 1.808 -3.172 1.00 1.53 N ATOM 1355 CA ARG A 83 -10.175 1.298 -3.101 1.00 1.64 C ATOM 1356 C ARG A 83 -10.896 1.617 -1.784 1.00 1.64 C ATOM 1357 O ARG A 83 -12.099 1.379 -1.698 1.00 1.73 O ATOM 1358 CB ARG A 83 -10.200 -0.222 -3.367 1.00 1.73 C ATOM 1359 CG ARG A 83 -9.705 -0.651 -4.755 1.00 1.75 C ATOM 1360 CD ARG A 83 -10.585 -0.124 -5.900 1.00 1.81 C ATOM 1361 NE ARG A 83 -10.037 -0.524 -7.211 1.00 1.84 N ATOM 1362 CZ ARG A 83 -9.020 0.039 -7.841 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -8.496 1.165 -7.460 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -8.476 -0.533 -8.875 1.00 1.82 N ATOM 0 H ARG A 83 -8.205 1.501 -2.401 1.00 1.53 H new ATOM 0 HA ARG A 83 -10.726 1.824 -3.881 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -9.589 -0.717 -2.612 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -11.221 -0.581 -3.236 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -8.684 -0.295 -4.896 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -9.672 -1.740 -4.802 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -11.599 -0.509 -5.792 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -10.649 0.963 -5.844 1.00 1.81 H new ATOM 0 HE ARG A 83 -10.487 -1.312 -7.677 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -8.869 1.651 -6.644 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -7.712 1.563 -7.976 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -8.834 -1.428 -9.210 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -7.692 -0.087 -9.351 1.00 1.82 H new ATOM 1378 N LEU A 84 -10.196 2.179 -0.791 1.00 1.56 N ATOM 1379 CA LEU A 84 -10.732 2.304 0.568 1.00 1.57 C ATOM 1380 C LEU A 84 -10.913 3.768 1.004 1.00 1.51 C ATOM 1381 O LEU A 84 -11.547 4.025 2.018 1.00 1.54 O ATOM 1382 CB LEU A 84 -9.769 1.522 1.477 1.00 1.56 C ATOM 1383 CG LEU A 84 -10.206 1.342 2.932 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -11.522 0.582 3.060 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -9.136 0.562 3.690 1.00 1.61 C ATOM 0 H LEU A 84 -9.255 2.555 -0.905 1.00 1.56 H new ATOM 0 HA LEU A 84 -11.739 1.891 0.628 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -9.614 0.535 1.042 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -8.804 2.029 1.470 1.00 1.56 H new ATOM 0 HG LEU A 84 -10.345 2.340 3.347 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -11.784 0.483 4.113 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -12.309 1.128 2.540 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -11.414 -0.409 2.618 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -9.446 0.433 4.727 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -9.002 -0.416 3.227 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -8.195 1.111 3.658 1.00 1.61 H new ATOM 1397 N ILE A 85 -10.388 4.726 0.230 1.00 1.44 N ATOM 1398 CA ILE A 85 -10.725 6.152 0.417 1.00 1.41 C ATOM 1399 C ILE A 85 -10.486 7.014 -0.821 1.00 1.39 C ATOM 1400 O ILE A 85 -11.173 8.020 -0.959 1.00 1.42 O ATOM 1401 CB ILE A 85 -10.053 6.742 1.671 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -10.649 8.132 1.996 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -8.529 6.800 1.536 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -10.509 8.540 3.462 1.00 1.33 C ATOM 0 H ILE A 85 -9.731 4.546 -0.529 1.00 1.44 H new ATOM 0 HA ILE A 85 -11.803 6.176 0.578 1.00 1.41 H new ATOM 0 HB ILE A 85 -10.263 6.074 2.506 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -10.160 8.881 1.373 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -11.705 8.135 1.728 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -8.099 7.223 2.444 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -8.139 5.794 1.384 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -8.263 7.425 0.683 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -10.951 9.526 3.609 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -11.023 7.814 4.092 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -9.453 8.572 3.732 1.00 1.33 H new ATOM 1416 N LEU A 86 -9.641 6.616 -1.777 1.00 1.37 N ATOM 1417 CA LEU A 86 -9.577 7.269 -3.092 1.00 1.39 C ATOM 1418 C LEU A 86 -10.972 7.462 -3.750 1.00 1.49 C ATOM 1419 O LEU A 86 -11.219 8.554 -4.273 1.00 1.52 O ATOM 1420 CB LEU A 86 -8.602 6.486 -3.983 1.00 1.37 C ATOM 1421 CG LEU A 86 -8.383 7.044 -5.401 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -7.878 8.490 -5.394 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -7.368 6.191 -6.155 1.00 1.40 C ATOM 0 H LEU A 86 -8.988 5.841 -1.665 1.00 1.37 H new ATOM 0 HA LEU A 86 -9.203 8.284 -2.959 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -7.637 6.442 -3.479 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -8.964 5.461 -4.070 1.00 1.37 H new ATOM 0 HG LEU A 86 -9.355 7.019 -5.893 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -7.741 8.832 -6.420 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -8.607 9.127 -4.893 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -6.927 8.541 -4.864 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -7.223 6.597 -7.156 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -6.418 6.197 -5.620 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -7.736 5.168 -6.229 1.00 1.40 H new ATOM 1435 N PRO A 87 -11.924 6.497 -3.687 1.00 1.58 N ATOM 1436 CA PRO A 87 -13.295 6.723 -4.160 1.00 1.69 C ATOM 1437 C PRO A 87 -14.169 7.613 -3.249 1.00 1.71 C ATOM 1438 O PRO A 87 -15.200 8.090 -3.729 1.00 1.80 O ATOM 1439 CB PRO A 87 -13.911 5.328 -4.323 1.00 1.78 C ATOM 1440 CG PRO A 87 -13.150 4.480 -3.312 1.00 1.71 C ATOM 1441 CD PRO A 87 -11.748 5.078 -3.373 1.00 1.59 C ATOM 0 HA PRO A 87 -13.256 7.287 -5.092 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -14.981 5.335 -4.115 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -13.786 4.951 -5.338 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -13.580 4.554 -2.313 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -13.154 3.424 -3.583 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -11.229 4.951 -2.423 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -11.146 4.582 -4.134 1.00 1.59 H new ATOM 1449 N TYR A 88 -13.800 7.864 -1.981 1.00 1.63 N ATOM 1450 CA TYR A 88 -14.629 8.654 -1.049 1.00 1.66 C ATOM 1451 C TYR A 88 -14.080 10.059 -0.746 1.00 1.59 C ATOM 1452 O TYR A 88 -14.875 10.986 -0.616 1.00 1.64 O ATOM 1453 CB TYR A 88 -14.970 7.833 0.210 1.00 1.68 C ATOM 1454 CG TYR A 88 -16.397 7.288 0.244 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -17.002 6.751 -0.914 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -17.132 7.322 1.447 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -18.322 6.261 -0.870 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -18.455 6.840 1.494 1.00 1.97 C ATOM 1459 CZ TYR A 88 -19.054 6.305 0.335 1.00 2.05 C ATOM 1460 OH TYR A 88 -20.330 5.829 0.371 1.00 2.17 O ATOM 0 H TYR A 88 -12.927 7.529 -1.574 1.00 1.63 H new ATOM 0 HA TYR A 88 -15.567 8.862 -1.564 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -14.274 6.998 0.283 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -14.812 8.457 1.089 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -16.448 6.716 -1.840 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -16.676 7.721 2.341 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -18.774 5.851 -1.761 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -19.011 6.880 2.419 1.00 1.97 H new ATOM 0 HH TYR A 88 -20.692 5.932 1.276 1.00 2.17 H new ATOM 1470 N GLU A 89 -12.763 10.308 -0.782 1.00 1.50 N ATOM 1471 CA GLU A 89 -12.222 11.687 -0.763 1.00 1.46 C ATOM 1472 C GLU A 89 -12.762 12.541 -1.938 1.00 1.53 C ATOM 1473 O GLU A 89 -12.724 13.770 -1.894 1.00 1.55 O ATOM 1474 CB GLU A 89 -10.678 11.717 -0.709 1.00 1.36 C ATOM 1475 CG GLU A 89 -9.967 11.243 -1.988 1.00 1.35 C ATOM 1476 CD GLU A 89 -8.466 11.596 -1.970 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -7.676 10.903 -1.286 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -8.069 12.570 -2.660 1.00 1.29 O ATOM 0 H GLU A 89 -12.050 9.580 -0.824 1.00 1.50 H new ATOM 0 HA GLU A 89 -12.581 12.140 0.161 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -10.358 12.736 -0.491 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -10.348 11.095 0.123 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -10.086 10.165 -2.092 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -10.438 11.701 -2.858 1.00 1.35 H new ATOM 1485 N ARG A 90 -13.352 11.863 -2.934 1.00 1.61 N ATOM 1486 CA ARG A 90 -14.112 12.514 -4.008 1.00 1.71 C ATOM 1487 C ARG A 90 -15.195 13.487 -3.504 1.00 1.78 C ATOM 1488 O ARG A 90 -15.379 14.529 -4.132 1.00 1.83 O ATOM 1489 CB ARG A 90 -14.688 11.415 -4.921 1.00 1.78 C ATOM 1490 CG ARG A 90 -15.245 11.964 -6.242 1.00 1.89 C ATOM 1491 CD ARG A 90 -15.648 10.814 -7.173 1.00 1.97 C ATOM 1492 NE ARG A 90 -16.146 11.316 -8.467 1.00 2.08 N ATOM 1493 CZ ARG A 90 -16.386 10.602 -9.552 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -16.213 9.310 -9.588 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -16.810 11.179 -10.640 1.00 2.25 N ATOM 0 H ARG A 90 -13.315 10.847 -3.016 1.00 1.61 H new ATOM 0 HA ARG A 90 -13.433 13.152 -4.574 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -13.908 10.685 -5.137 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -15.481 10.888 -4.390 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -16.108 12.599 -6.044 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -14.495 12.588 -6.728 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -14.791 10.162 -7.340 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -16.419 10.210 -6.695 1.00 1.97 H new ATOM 0 HE ARG A 90 -16.324 12.318 -8.531 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -15.881 8.817 -8.759 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -16.409 8.793 -10.445 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -16.959 12.188 -10.658 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -16.993 10.622 -11.474 1.00 2.25 H new ATOM 1509 N PHE A 91 -15.861 13.228 -2.367 1.00 1.78 N ATOM 1510 CA PHE A 91 -16.780 14.220 -1.769 1.00 1.84 C ATOM 1511 C PHE A 91 -16.044 15.379 -1.066 1.00 1.78 C ATOM 1512 O PHE A 91 -16.548 16.501 -1.047 1.00 1.84 O ATOM 1513 CB PHE A 91 -17.839 13.567 -0.854 1.00 1.89 C ATOM 1514 CG PHE A 91 -17.376 12.986 0.477 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -16.999 13.828 1.545 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -17.370 11.591 0.673 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -16.527 13.278 2.751 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -16.890 11.044 1.874 1.00 1.76 C ATOM 1519 CZ PHE A 91 -16.438 11.886 2.898 1.00 1.70 C ATOM 0 H PHE A 91 -15.785 12.354 -1.847 1.00 1.78 H new ATOM 0 HA PHE A 91 -17.317 14.665 -2.606 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -18.605 14.314 -0.644 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -18.320 12.768 -1.418 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -17.073 14.900 1.436 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -17.737 10.938 -0.105 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -16.234 13.927 3.563 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -16.869 9.973 2.008 1.00 1.76 H new ATOM 0 HZ PHE A 91 -16.021 11.464 3.800 1.00 1.70 H new ATOM 1529 N ILE A 92 -14.832 15.143 -0.546 1.00 1.67 N ATOM 1530 CA ILE A 92 -14.043 16.196 0.129 1.00 1.62 C ATOM 1531 C ILE A 92 -13.461 17.157 -0.916 1.00 1.64 C ATOM 1532 O ILE A 92 -13.497 18.374 -0.758 1.00 1.69 O ATOM 1533 CB ILE A 92 -12.912 15.569 0.989 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -13.471 14.517 1.978 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -12.148 16.669 1.753 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -12.414 13.757 2.786 1.00 1.43 C ATOM 0 H ILE A 92 -14.372 14.233 -0.577 1.00 1.67 H new ATOM 0 HA ILE A 92 -14.699 16.755 0.796 1.00 1.62 H new ATOM 0 HB ILE A 92 -12.222 15.061 0.315 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -14.146 15.017 2.672 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -14.066 13.795 1.418 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -11.358 16.215 2.352 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -11.708 17.368 1.041 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -12.837 17.203 2.407 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -12.905 13.045 3.449 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -11.751 13.222 2.106 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -11.833 14.463 3.379 1.00 1.43 H new ATOM 1548 N LYS A 93 -12.979 16.590 -2.024 1.00 1.63 N ATOM 1549 CA LYS A 93 -12.249 17.337 -3.058 1.00 1.66 C ATOM 1550 C LYS A 93 -13.157 17.847 -4.189 1.00 1.78 C ATOM 1551 O LYS A 93 -12.701 18.577 -5.070 1.00 1.82 O ATOM 1552 CB LYS A 93 -11.149 16.389 -3.554 1.00 1.58 C ATOM 1553 CG LYS A 93 -9.981 17.100 -4.246 1.00 1.58 C ATOM 1554 CD LYS A 93 -8.748 16.190 -4.277 1.00 1.49 C ATOM 1555 CE LYS A 93 -8.976 14.926 -5.115 1.00 1.50 C ATOM 1556 NZ LYS A 93 -7.814 14.016 -5.021 1.00 1.41 N ATOM 0 H LYS A 93 -13.083 15.597 -2.233 1.00 1.63 H new ATOM 0 HA LYS A 93 -11.822 18.252 -2.648 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -10.765 15.820 -2.707 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -11.587 15.672 -4.248 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -10.264 17.375 -5.262 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -9.746 18.025 -3.719 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -7.901 16.744 -4.682 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -8.484 15.905 -3.259 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -9.874 14.413 -4.770 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -9.145 15.200 -6.156 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -7.921 13.244 -5.710 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -6.942 14.544 -5.226 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -7.761 13.619 -4.061 1.00 1.41 H new ATOM 1570 N GLY A 94 -14.442 17.488 -4.128 1.00 1.84 N ATOM 1571 CA GLY A 94 -15.441 17.906 -5.116 1.00 1.97 C ATOM 1572 C GLY A 94 -16.606 18.708 -4.525 1.00 2.05 C ATOM 1573 O GLY A 94 -17.281 19.409 -5.276 1.00 2.15 O ATOM 0 H GLY A 94 -14.821 16.896 -3.388 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -14.950 18.508 -5.881 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -15.838 17.021 -5.613 1.00 1.97 H new ATOM 1577 N GLU A 95 -16.835 18.653 -3.202 1.00 2.00 N ATOM 1578 CA GLU A 95 -17.975 19.316 -2.536 1.00 2.08 C ATOM 1579 C GLU A 95 -17.639 19.924 -1.154 1.00 2.02 C ATOM 1580 O GLU A 95 -18.528 20.157 -0.330 1.00 2.07 O ATOM 1581 CB GLU A 95 -19.186 18.357 -2.445 1.00 2.13 C ATOM 1582 CG GLU A 95 -19.695 17.831 -3.794 1.00 2.21 C ATOM 1583 CD GLU A 95 -20.987 17.013 -3.616 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -22.098 17.599 -3.666 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -20.907 15.772 -3.439 1.00 2.26 O ATOM 0 H GLU A 95 -16.231 18.144 -2.557 1.00 2.00 H new ATOM 0 HA GLU A 95 -18.235 20.166 -3.167 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -18.912 17.507 -1.820 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -20.003 18.873 -1.941 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -19.880 18.667 -4.468 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -18.929 17.211 -4.259 1.00 2.21 H new ATOM 1592 N GLU A 96 -16.361 20.224 -0.896 1.00 1.94 N ATOM 1593 CA GLU A 96 -15.916 20.922 0.326 1.00 1.90 C ATOM 1594 C GLU A 96 -14.625 21.755 0.158 1.00 1.87 C ATOM 1595 O GLU A 96 -14.587 22.912 0.578 1.00 1.92 O ATOM 1596 CB GLU A 96 -15.763 19.908 1.482 1.00 1.82 C ATOM 1597 CG GLU A 96 -15.587 20.602 2.839 1.00 1.81 C ATOM 1598 CD GLU A 96 -15.593 19.578 3.992 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -16.686 19.273 4.531 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -14.506 19.090 4.384 1.00 1.68 O ATOM 0 H GLU A 96 -15.598 19.990 -1.531 1.00 1.94 H new ATOM 0 HA GLU A 96 -16.695 21.648 0.558 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -16.641 19.263 1.516 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -14.903 19.266 1.289 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -14.650 21.158 2.847 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -16.388 21.326 2.987 1.00 1.81 H new ATOM 1607 N ASP A 97 -13.595 21.184 -0.461 1.00 1.80 N ATOM 1608 CA ASP A 97 -12.338 21.910 -0.656 1.00 1.78 C ATOM 1609 C ASP A 97 -11.798 21.737 -2.074 1.00 1.87 C ATOM 1610 O ASP A 97 -11.142 20.737 -2.375 1.00 2.33 O ATOM 1611 CB ASP A 97 -11.285 21.438 0.353 1.00 1.78 C ATOM 1612 CG ASP A 97 -11.677 21.729 1.790 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -11.541 22.896 2.218 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -12.122 20.793 2.485 1.00 2.20 O ATOM 0 H ASP A 97 -13.602 20.234 -0.833 1.00 1.80 H new ATOM 0 HA ASP A 97 -12.548 22.968 -0.498 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -11.129 20.366 0.234 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -10.335 21.925 0.134 1.00 1.78 H new ATOM 1619 N LYS A 98 -12.071 22.723 -2.937 1.00 1.90 N ATOM 1620 CA LYS A 98 -11.607 22.687 -4.324 1.00 2.13 C ATOM 1621 C LYS A 98 -11.969 23.973 -5.069 1.00 2.94 C ATOM 1622 O LYS A 98 -13.129 24.387 -5.081 1.00 3.42 O ATOM 1623 CB LYS A 98 -12.220 21.493 -5.057 1.00 2.05 C ATOM 1624 CG LYS A 98 -11.565 21.183 -6.396 1.00 2.30 C ATOM 1625 CD LYS A 98 -10.217 20.498 -6.224 1.00 2.83 C ATOM 1626 CE LYS A 98 -9.571 20.206 -7.569 1.00 3.09 C ATOM 1627 NZ LYS A 98 -10.400 19.284 -8.393 1.00 3.68 N ATOM 0 H LYS A 98 -12.611 23.554 -2.697 1.00 1.90 H new ATOM 0 HA LYS A 98 -10.521 22.591 -4.303 1.00 2.13 H new ATOM 0 HB2 LYS A 98 -12.150 20.613 -4.418 1.00 2.05 H new ATOM 0 HB3 LYS A 98 -13.281 21.685 -5.219 1.00 2.05 H new ATOM 0 HG2 LYS A 98 -12.224 20.544 -6.983 1.00 2.30 H new ATOM 0 HG3 LYS A 98 -11.433 22.107 -6.958 1.00 2.30 H new ATOM 0 HD2 LYS A 98 -9.557 21.132 -5.631 1.00 2.83 H new ATOM 0 HD3 LYS A 98 -10.347 19.568 -5.671 1.00 2.83 H new ATOM 0 HE2 LYS A 98 -9.420 21.140 -8.110 1.00 3.09 H new ATOM 0 HE3 LYS A 98 -8.586 19.766 -7.411 1.00 3.09 H new ATOM 0 HZ1 LYS A 98 -9.838 18.935 -9.196 1.00 3.68 H new ATOM 0 HZ2 LYS A 98 -10.708 18.479 -7.810 1.00 3.68 H new ATOM 0 HZ3 LYS A 98 -11.234 19.792 -8.749 1.00 3.68 H new ATOM 1641 N PRO A 99 -10.972 24.624 -5.702 1.00 3.57 N ATOM 1642 CA PRO A 99 -11.193 25.851 -6.470 1.00 4.60 C ATOM 1643 C PRO A 99 -11.706 25.551 -7.880 1.00 4.87 C ATOM 1644 O PRO A 99 -12.122 26.452 -8.610 1.00 5.78 O ATOM 1645 CB PRO A 99 -9.798 26.470 -6.513 1.00 5.30 C ATOM 1646 CG PRO A 99 -8.875 25.299 -6.523 1.00 4.88 C ATOM 1647 CD PRO A 99 -9.550 24.223 -5.705 1.00 3.76 C ATOM 0 HA PRO A 99 -11.948 26.502 -6.030 1.00 4.60 H new ATOM 0 HB2 PRO A 99 -9.665 27.089 -7.400 1.00 5.30 H new ATOM 0 HB3 PRO A 99 -9.620 27.109 -5.648 1.00 5.30 H new ATOM 0 HG2 PRO A 99 -8.692 24.956 -7.541 1.00 4.88 H new ATOM 0 HG3 PRO A 99 -7.907 25.563 -6.097 1.00 4.88 H new ATOM 0 HD2 PRO A 99 -9.413 23.237 -6.150 1.00 3.76 H new ATOM 0 HD3 PRO A 99 -9.145 24.176 -4.694 1.00 3.76 H new ATOM 1655 N LEU A 100 -11.664 24.270 -8.249 1.00 4.16 N ATOM 1656 CA LEU A 100 -12.129 23.812 -9.554 1.00 4.45 C ATOM 1657 C LEU A 100 -13.377 22.938 -9.400 1.00 4.49 C ATOM 1658 O LEU A 100 -13.615 22.372 -8.334 1.00 4.18 O ATOM 1659 CB LEU A 100 -11.018 23.028 -10.268 1.00 4.19 C ATOM 1660 CG LEU A 100 -10.239 23.815 -11.327 1.00 4.60 C ATOM 1661 CD1 LEU A 100 -9.241 24.766 -10.682 1.00 4.86 C ATOM 1662 CD2 LEU A 100 -9.530 22.861 -12.278 1.00 4.95 C ATOM 0 H LEU A 100 -11.307 23.524 -7.652 1.00 4.16 H new ATOM 0 HA LEU A 100 -12.387 24.683 -10.156 1.00 4.45 H new ATOM 0 HB2 LEU A 100 -10.315 22.663 -9.519 1.00 4.19 H new ATOM 0 HB3 LEU A 100 -11.461 22.152 -10.742 1.00 4.19 H new ATOM 0 HG LEU A 100 -10.951 24.413 -11.896 1.00 4.60 H new ATOM 0 HD11 LEU A 100 -8.703 25.310 -11.458 1.00 4.86 H new ATOM 0 HD12 LEU A 100 -9.772 25.473 -10.044 1.00 4.86 H new ATOM 0 HD13 LEU A 100 -8.532 24.197 -10.081 1.00 4.86 H new ATOM 0 HD21 LEU A 100 -8.981 23.434 -13.025 1.00 4.95 H new ATOM 0 HD22 LEU A 100 -8.835 22.237 -11.716 1.00 4.95 H new ATOM 0 HD23 LEU A 100 -10.266 22.229 -12.775 1.00 4.95 H new ATOM 1674 N PRO A 101 -14.198 22.828 -10.461 1.00 5.19 N ATOM 1675 CA PRO A 101 -15.429 22.015 -10.445 1.00 5.67 C ATOM 1676 C PRO A 101 -15.165 20.518 -10.237 1.00 5.64 C ATOM 1677 O PRO A 101 -14.054 20.034 -10.463 1.00 5.32 O ATOM 1678 CB PRO A 101 -16.035 22.262 -11.834 1.00 6.54 C ATOM 1679 CG PRO A 101 -14.888 22.708 -12.674 1.00 6.50 C ATOM 1680 CD PRO A 101 -14.012 23.505 -11.755 1.00 5.81 C ATOM 0 HA PRO A 101 -16.079 22.295 -9.616 1.00 5.67 H new ATOM 0 HB2 PRO A 101 -16.490 21.356 -12.234 1.00 6.54 H new ATOM 0 HB3 PRO A 101 -16.816 23.021 -11.796 1.00 6.54 H new ATOM 0 HG2 PRO A 101 -14.350 21.856 -13.090 1.00 6.50 H new ATOM 0 HG3 PRO A 101 -15.228 23.312 -13.515 1.00 6.50 H new ATOM 0 HD2 PRO A 101 -12.970 23.489 -12.074 1.00 5.81 H new ATOM 0 HD3 PRO A 101 -14.316 24.551 -11.712 1.00 5.81 H new ATOM 1688 N PRO A 102 -16.199 19.767 -9.790 1.00 6.15 N ATOM 1689 CA PRO A 102 -16.097 18.318 -9.545 1.00 6.45 C ATOM 1690 C PRO A 102 -16.078 17.473 -10.825 1.00 6.96 C ATOM 1691 O PRO A 102 -16.097 16.244 -10.757 1.00 7.31 O ATOM 1692 CB PRO A 102 -17.359 18.009 -8.737 1.00 7.14 C ATOM 1693 CG PRO A 102 -18.342 19.046 -9.160 1.00 7.42 C ATOM 1694 CD PRO A 102 -17.541 20.286 -9.458 1.00 6.66 C ATOM 0 HA PRO A 102 -15.161 18.073 -9.043 1.00 6.45 H new ATOM 0 HB2 PRO A 102 -17.728 17.005 -8.947 1.00 7.14 H new ATOM 0 HB3 PRO A 102 -17.166 18.060 -7.666 1.00 7.14 H new ATOM 0 HG2 PRO A 102 -18.897 18.720 -10.040 1.00 7.42 H new ATOM 0 HG3 PRO A 102 -19.073 19.234 -8.373 1.00 7.42 H new ATOM 0 HD2 PRO A 102 -17.969 20.849 -10.288 1.00 6.66 H new ATOM 0 HD3 PRO A 102 -17.509 20.958 -8.600 1.00 6.66 H new ATOM 1702 N ILE A 103 -16.045 18.129 -11.986 1.00 7.14 N ATOM 1703 CA ILE A 103 -16.014 17.418 -13.263 1.00 7.71 C ATOM 1704 C ILE A 103 -14.616 16.847 -13.528 1.00 7.31 C ATOM 1705 O ILE A 103 -14.467 15.818 -14.190 1.00 7.64 O ATOM 1706 CB ILE A 103 -16.460 18.331 -14.434 1.00 8.28 C ATOM 1707 CG1 ILE A 103 -16.526 17.538 -15.745 1.00 9.04 C ATOM 1708 CG2 ILE A 103 -15.533 19.533 -14.576 1.00 8.23 C ATOM 1709 CD1 ILE A 103 -17.078 18.332 -16.911 1.00 9.66 C ATOM 0 H ILE A 103 -16.039 19.146 -12.068 1.00 7.14 H new ATOM 0 HA ILE A 103 -16.723 16.592 -13.199 1.00 7.71 H new ATOM 0 HB ILE A 103 -17.459 18.703 -14.208 1.00 8.28 H new ATOM 0 HG12 ILE A 103 -15.525 17.187 -15.997 1.00 9.04 H new ATOM 0 HG13 ILE A 103 -17.145 16.654 -15.594 1.00 9.04 H new ATOM 0 HG21 ILE A 103 -15.869 20.156 -15.405 1.00 8.23 H new ATOM 0 HG22 ILE A 103 -15.549 20.115 -13.655 1.00 8.23 H new ATOM 0 HG23 ILE A 103 -14.517 19.188 -14.770 1.00 8.23 H new ATOM 0 HD11 ILE A 103 -17.094 17.705 -17.803 1.00 9.66 H new ATOM 0 HD12 ILE A 103 -18.091 18.661 -16.680 1.00 9.66 H new ATOM 0 HD13 ILE A 103 -16.446 19.202 -17.090 1.00 9.66 H new ATOM 1721 N LYS A 104 -13.598 17.516 -12.988 1.00 6.73 N ATOM 1722 CA LYS A 104 -12.216 17.077 -13.141 1.00 6.37 C ATOM 1723 C LYS A 104 -11.513 17.043 -11.783 1.00 5.89 C ATOM 1724 O LYS A 104 -10.844 18.003 -11.399 1.00 5.68 O ATOM 1725 CB LYS A 104 -11.456 18.002 -14.100 1.00 6.44 C ATOM 1726 CG LYS A 104 -11.783 17.776 -15.571 1.00 6.74 C ATOM 1727 CD LYS A 104 -11.244 16.444 -16.078 1.00 7.08 C ATOM 1728 CE LYS A 104 -9.721 16.425 -16.105 1.00 7.57 C ATOM 1729 NZ LYS A 104 -9.191 15.132 -16.617 1.00 8.00 N ATOM 0 H LYS A 104 -13.708 18.368 -12.438 1.00 6.73 H new ATOM 0 HA LYS A 104 -12.224 16.071 -13.560 1.00 6.37 H new ATOM 0 HB2 LYS A 104 -11.681 19.037 -13.844 1.00 6.44 H new ATOM 0 HB3 LYS A 104 -10.385 17.862 -13.951 1.00 6.44 H new ATOM 0 HG2 LYS A 104 -12.864 17.807 -15.711 1.00 6.74 H new ATOM 0 HG3 LYS A 104 -11.362 18.587 -16.165 1.00 6.74 H new ATOM 0 HD2 LYS A 104 -11.607 15.638 -15.440 1.00 7.08 H new ATOM 0 HD3 LYS A 104 -11.628 16.254 -17.080 1.00 7.08 H new ATOM 0 HE2 LYS A 104 -9.359 17.240 -16.732 1.00 7.57 H new ATOM 0 HE3 LYS A 104 -9.338 16.602 -15.100 1.00 7.57 H new ATOM 0 HZ1 LYS A 104 -8.151 15.160 -16.620 1.00 8.00 H new ATOM 0 HZ2 LYS A 104 -9.515 14.357 -16.004 1.00 8.00 H new ATOM 0 HZ3 LYS A 104 -9.536 14.975 -17.586 1.00 8.00 H new ATOM 1743 N PRO A 105 -11.672 15.936 -11.028 1.00 5.95 N ATOM 1744 CA PRO A 105 -11.049 15.785 -9.709 1.00 5.79 C ATOM 1745 C PRO A 105 -9.556 15.469 -9.796 1.00 5.46 C ATOM 1746 O PRO A 105 -8.779 15.850 -8.919 1.00 5.28 O ATOM 1747 CB PRO A 105 -11.816 14.614 -9.094 1.00 6.33 C ATOM 1748 CG PRO A 105 -12.260 13.793 -10.259 1.00 6.61 C ATOM 1749 CD PRO A 105 -12.480 14.756 -11.399 1.00 6.47 C ATOM 0 HA PRO A 105 -11.102 16.703 -9.124 1.00 5.79 H new ATOM 0 HB2 PRO A 105 -11.182 14.036 -8.422 1.00 6.33 H new ATOM 0 HB3 PRO A 105 -12.667 14.963 -8.509 1.00 6.33 H new ATOM 0 HG2 PRO A 105 -11.507 13.049 -10.519 1.00 6.61 H new ATOM 0 HG3 PRO A 105 -13.177 13.251 -10.026 1.00 6.61 H new ATOM 0 HD2 PRO A 105 -12.155 14.332 -12.349 1.00 6.47 H new ATOM 0 HD3 PRO A 105 -13.534 15.012 -11.508 1.00 6.47 H new ATOM 1757 N ARG A 106 -9.166 14.767 -10.859 1.00 5.56 N ATOM 1758 CA ARG A 106 -7.770 14.398 -11.077 1.00 5.43 C ATOM 1759 C ARG A 106 -7.508 14.178 -12.567 1.00 5.72 C ATOM 1760 O ARG A 106 -8.294 14.610 -13.411 1.00 6.01 O ATOM 1761 CB ARG A 106 -7.413 13.137 -10.277 1.00 5.69 C ATOM 1762 CG ARG A 106 -8.255 11.918 -10.626 1.00 6.20 C ATOM 1763 CD ARG A 106 -7.768 10.681 -9.889 1.00 6.57 C ATOM 1764 NE ARG A 106 -8.515 9.483 -10.268 1.00 6.84 N ATOM 1765 CZ ARG A 106 -8.148 8.247 -9.939 1.00 7.39 C ATOM 1766 NH1 ARG A 106 -7.050 8.044 -9.221 1.00 7.71 N ATOM 1767 NH2 ARG A 106 -8.879 7.211 -10.327 1.00 7.84 N ATOM 0 H ARG A 106 -9.803 14.441 -11.586 1.00 5.56 H new ATOM 0 HA ARG A 106 -7.137 15.214 -10.728 1.00 5.43 H new ATOM 0 HB2 ARG A 106 -6.363 12.899 -10.445 1.00 5.69 H new ATOM 0 HB3 ARG A 106 -7.526 13.350 -9.214 1.00 5.69 H new ATOM 0 HG2 ARG A 106 -9.298 12.109 -10.372 1.00 6.20 H new ATOM 0 HG3 ARG A 106 -8.216 11.742 -11.701 1.00 6.20 H new ATOM 0 HD2 ARG A 106 -6.709 10.528 -10.099 1.00 6.57 H new ATOM 0 HD3 ARG A 106 -7.861 10.840 -8.815 1.00 6.57 H new ATOM 0 HE ARG A 106 -9.367 9.601 -10.816 1.00 6.84 H new ATOM 0 HH11 ARG A 106 -6.484 8.837 -8.919 1.00 7.71 H new ATOM 0 HH12 ARG A 106 -6.772 7.095 -8.971 1.00 7.71 H new ATOM 0 HH21 ARG A 106 -9.724 7.361 -10.878 1.00 7.84 H new ATOM 0 HH22 ARG A 106 -8.596 6.264 -10.074 1.00 7.84 H new ATOM 1781 N LYS A 107 -6.396 13.515 -12.883 1.00 5.92 N ATOM 1782 CA LYS A 107 -6.038 13.236 -14.270 1.00 6.42 C ATOM 1783 C LYS A 107 -6.982 12.203 -14.888 1.00 6.87 C ATOM 1784 O LYS A 107 -7.122 11.102 -14.313 1.00 7.06 O ATOM 1785 CB LYS A 107 -4.583 12.753 -14.365 1.00 6.74 C ATOM 1786 CG LYS A 107 -4.221 11.671 -13.359 1.00 7.12 C ATOM 1787 CD LYS A 107 -2.796 11.183 -13.557 1.00 7.73 C ATOM 1788 CE LYS A 107 -2.436 10.099 -12.556 1.00 8.18 C ATOM 1789 NZ LYS A 107 -1.049 9.596 -12.760 1.00 8.47 N ATOM 1790 OXT LYS A 107 -7.576 12.507 -15.945 1.00 7.27 O ATOM 0 H LYS A 107 -5.729 13.162 -12.197 1.00 5.92 H new ATOM 0 HA LYS A 107 -6.137 14.164 -14.833 1.00 6.42 H new ATOM 0 HB2 LYS A 107 -4.402 12.374 -15.371 1.00 6.74 H new ATOM 0 HB3 LYS A 107 -3.918 13.605 -14.221 1.00 6.74 H new ATOM 0 HG2 LYS A 107 -4.337 12.060 -12.347 1.00 7.12 H new ATOM 0 HG3 LYS A 107 -4.911 10.833 -13.459 1.00 7.12 H new ATOM 0 HD2 LYS A 107 -2.679 10.798 -14.570 1.00 7.73 H new ATOM 0 HD3 LYS A 107 -2.106 12.020 -13.453 1.00 7.73 H new ATOM 0 HE2 LYS A 107 -2.535 10.491 -11.544 1.00 8.18 H new ATOM 0 HE3 LYS A 107 -3.140 9.272 -12.647 1.00 8.18 H new ATOM 0 HZ1 LYS A 107 -0.841 8.858 -12.058 1.00 8.47 H new ATOM 0 HZ2 LYS A 107 -0.961 9.198 -13.717 1.00 8.47 H new ATOM 0 HZ3 LYS A 107 -0.375 10.380 -12.648 1.00 8.47 H new TER 1804 LYS A 107 ATOM 1805 OP3 DT B 1 -7.108 -24.318 -7.938 1.00 2.61 O ATOM 1806 P DT B 1 -7.544 -25.045 -9.288 1.00 2.20 P ATOM 1807 OP1 DT B 1 -6.408 -24.978 -10.241 1.00 2.80 O ATOM 1808 OP2 DT B 1 -8.140 -26.361 -8.946 1.00 2.56 O ATOM 1809 O5' DT B 1 -8.704 -24.087 -9.814 1.00 2.08 O ATOM 1810 C5' DT B 1 -9.345 -24.323 -11.067 1.00 2.25 C ATOM 1811 C4' DT B 1 -9.683 -23.009 -11.736 1.00 2.22 C ATOM 1812 O4' DT B 1 -10.737 -22.372 -10.970 1.00 2.06 O ATOM 1813 C3' DT B 1 -8.510 -22.027 -11.698 1.00 2.18 C ATOM 1814 O3' DT B 1 -8.596 -21.003 -12.701 1.00 2.29 O ATOM 1815 C2' DT B 1 -8.690 -21.341 -10.360 1.00 1.96 C ATOM 1816 C1' DT B 1 -10.201 -21.266 -10.255 1.00 1.91 C ATOM 1817 N1 DT B 1 -10.736 -21.229 -8.878 1.00 1.72 N ATOM 1818 C2 DT B 1 -11.029 -19.965 -8.407 1.00 1.61 C ATOM 1819 O2 DT B 1 -10.881 -18.955 -9.075 1.00 1.71 O ATOM 1820 N3 DT B 1 -11.498 -19.921 -7.126 1.00 1.49 N ATOM 1821 C4 DT B 1 -11.714 -20.981 -6.279 1.00 1.49 C ATOM 1822 O4 DT B 1 -12.160 -20.768 -5.147 1.00 1.48 O ATOM 1823 C5 DT B 1 -11.391 -22.290 -6.833 1.00 1.64 C ATOM 1824 C7 DT B 1 -11.530 -23.500 -5.964 1.00 1.78 C ATOM 1825 C6 DT B 1 -10.928 -22.351 -8.098 1.00 1.74 C ATOM 0 H5' DT B 1 -10.253 -24.906 -10.915 1.00 2.25 H new ATOM 0 H5'' DT B 1 -8.693 -24.911 -11.713 1.00 2.25 H new ATOM 0 H4' DT B 1 -9.956 -23.229 -12.768 1.00 2.22 H new ATOM 0 H3' DT B 1 -7.567 -22.550 -11.858 1.00 2.18 H new ATOM 0 H2' DT B 1 -8.251 -21.914 -9.544 1.00 1.96 H new ATOM 0 H2'' DT B 1 -8.229 -20.354 -10.341 1.00 1.96 H new ATOM 0 H1' DT B 1 -10.507 -20.311 -10.683 1.00 1.91 H new ATOM 0 H3 DT B 1 -11.713 -18.995 -6.755 1.00 1.49 H new ATOM 0 H71 DT B 1 -11.779 -24.364 -6.580 1.00 1.78 H new ATOM 0 H72 DT B 1 -10.590 -23.684 -5.444 1.00 1.78 H new ATOM 0 H73 DT B 1 -12.322 -23.334 -5.234 1.00 1.78 H new ATOM 0 H6 DT B 1 -10.698 -23.319 -8.518 1.00 1.74 H new ATOM 1839 P DA B 2 -7.443 -19.872 -12.760 1.00 2.27 P ATOM 1840 OP1 DA B 2 -7.312 -19.251 -14.092 1.00 2.47 O ATOM 1841 OP2 DA B 2 -6.223 -20.525 -12.224 1.00 2.19 O ATOM 1842 O5' DA B 2 -7.973 -18.798 -11.706 1.00 2.12 O ATOM 1843 C5' DA B 2 -9.337 -18.323 -11.820 1.00 2.18 C ATOM 1844 C4' DA B 2 -9.412 -16.873 -11.398 1.00 2.16 C ATOM 1845 O4' DA B 2 -9.462 -16.815 -9.937 1.00 1.98 O ATOM 1846 C3' DA B 2 -8.217 -15.997 -11.768 1.00 2.19 C ATOM 1847 O3' DA B 2 -8.564 -14.616 -11.836 1.00 2.28 O ATOM 1848 C2' DA B 2 -7.261 -16.217 -10.609 1.00 1.97 C ATOM 1849 C1' DA B 2 -8.219 -16.366 -9.432 1.00 1.86 C ATOM 1850 N9 DA B 2 -7.763 -17.349 -8.410 1.00 1.69 N ATOM 1851 C8 DA B 2 -7.119 -18.539 -8.607 1.00 1.68 C ATOM 1852 N7 DA B 2 -6.857 -19.176 -7.505 1.00 1.57 N ATOM 1853 C5 DA B 2 -7.349 -18.344 -6.515 1.00 1.48 C ATOM 1854 C6 DA B 2 -7.384 -18.454 -5.109 1.00 1.40 C ATOM 1855 N6 DA B 2 -6.873 -19.502 -4.444 1.00 1.38 N ATOM 1856 N1 DA B 2 -7.959 -17.452 -4.426 1.00 1.40 N ATOM 1857 C2 DA B 2 -8.459 -16.419 -5.096 1.00 1.49 C ATOM 1858 N3 DA B 2 -8.497 -16.203 -6.392 1.00 1.58 N ATOM 1859 C4 DA B 2 -7.916 -17.223 -7.052 1.00 1.56 C ATOM 0 H5' DA B 2 -9.995 -18.927 -11.196 1.00 2.18 H new ATOM 0 H5'' DA B 2 -9.684 -18.431 -12.848 1.00 2.18 H new ATOM 0 H4' DA B 2 -10.289 -16.493 -11.922 1.00 2.16 H new ATOM 0 H3' DA B 2 -7.812 -16.253 -12.747 1.00 2.19 H new ATOM 0 H2' DA B 2 -6.647 -17.106 -10.750 1.00 1.97 H new ATOM 0 H2'' DA B 2 -6.580 -15.376 -10.477 1.00 1.97 H new ATOM 0 H1' DA B 2 -8.281 -15.394 -8.943 1.00 1.86 H new ATOM 0 H8 DA B 2 -6.854 -18.914 -9.585 1.00 1.68 H new ATOM 0 H61 DA B 2 -6.924 -19.534 -3.426 1.00 1.38 H new ATOM 0 H62 DA B 2 -6.434 -20.267 -4.957 1.00 1.38 H new ATOM 0 H2 DA B 2 -8.898 -15.643 -4.486 1.00 1.49 H new ATOM 1871 P DC B 3 -7.434 -13.513 -11.609 1.00 2.25 P ATOM 1872 OP1 DC B 3 -7.741 -12.312 -12.410 1.00 2.46 O ATOM 1873 OP2 DC B 3 -6.102 -14.124 -11.843 1.00 2.18 O ATOM 1874 O5' DC B 3 -7.608 -13.195 -10.057 1.00 2.07 O ATOM 1875 C5' DC B 3 -8.941 -12.965 -9.536 1.00 2.12 C ATOM 1876 C4' DC B 3 -8.887 -11.941 -8.426 1.00 2.08 C ATOM 1877 O4' DC B 3 -8.467 -12.608 -7.194 1.00 1.87 O ATOM 1878 C3' DC B 3 -7.882 -10.805 -8.601 1.00 2.12 C ATOM 1879 O3' DC B 3 -8.242 -9.647 -7.850 1.00 2.20 O ATOM 1880 C2' DC B 3 -6.603 -11.393 -8.029 1.00 1.90 C ATOM 1881 C1' DC B 3 -7.131 -12.256 -6.891 1.00 1.76 C ATOM 1882 N1 DC B 3 -6.366 -13.516 -6.686 1.00 1.58 N ATOM 1883 C2 DC B 3 -6.165 -13.952 -5.380 1.00 1.43 C ATOM 1884 O2 DC B 3 -6.623 -13.279 -4.447 1.00 1.46 O ATOM 1885 N3 DC B 3 -5.467 -15.098 -5.173 1.00 1.31 N ATOM 1886 C4 DC B 3 -4.984 -15.801 -6.203 1.00 1.34 C ATOM 1887 N4 DC B 3 -4.314 -16.913 -5.945 1.00 1.29 N ATOM 1888 C5 DC B 3 -5.171 -15.371 -7.554 1.00 1.50 C ATOM 1889 C6 DC B 3 -5.877 -14.222 -7.738 1.00 1.61 C ATOM 0 H5' DC B 3 -9.361 -13.899 -9.162 1.00 2.12 H new ATOM 0 H5'' DC B 3 -9.598 -12.617 -10.333 1.00 2.12 H new ATOM 0 H4' DC B 3 -9.889 -11.512 -8.419 1.00 2.08 H new ATOM 0 H3' DC B 3 -7.812 -10.479 -9.639 1.00 2.12 H new ATOM 0 H2' DC B 3 -6.058 -11.981 -8.768 1.00 1.90 H new ATOM 0 H2'' DC B 3 -5.922 -10.620 -7.673 1.00 1.90 H new ATOM 0 H1' DC B 3 -7.038 -11.669 -5.977 1.00 1.76 H new ATOM 0 H41 DC B 3 -3.934 -17.469 -6.711 1.00 1.29 H new ATOM 0 H42 DC B 3 -4.177 -17.214 -4.980 1.00 1.29 H new ATOM 0 H5 DC B 3 -4.772 -15.930 -8.387 1.00 1.50 H new ATOM 0 H6 DC B 3 -6.052 -13.864 -8.742 1.00 1.61 H new ATOM 1901 P DA B 4 -7.108 -8.619 -7.405 1.00 2.17 P ATOM 1902 OP1 DA B 4 -7.665 -7.253 -7.354 1.00 2.39 O ATOM 1903 OP2 DA B 4 -5.917 -8.801 -8.268 1.00 2.13 O ATOM 1904 O5' DA B 4 -6.777 -9.130 -5.930 1.00 1.97 O ATOM 1905 C5' DA B 4 -7.875 -9.414 -5.027 1.00 2.00 C ATOM 1906 C4' DA B 4 -7.477 -9.066 -3.613 1.00 1.94 C ATOM 1907 O4' DA B 4 -6.679 -10.163 -3.068 1.00 1.72 O ATOM 1908 C3' DA B 4 -6.590 -7.835 -3.441 1.00 1.99 C ATOM 1909 O3' DA B 4 -6.701 -7.268 -2.137 1.00 2.06 O ATOM 1910 C2' DA B 4 -5.191 -8.397 -3.625 1.00 1.77 C ATOM 1911 C1' DA B 4 -5.319 -9.780 -2.999 1.00 1.61 C ATOM 1912 N9 DA B 4 -4.518 -10.828 -3.691 1.00 1.44 N ATOM 1913 C8 DA B 4 -4.287 -10.971 -5.032 1.00 1.47 C ATOM 1914 N7 DA B 4 -3.545 -11.997 -5.326 1.00 1.33 N ATOM 1915 C5 DA B 4 -3.258 -12.559 -4.095 1.00 1.19 C ATOM 1916 C6 DA B 4 -2.503 -13.690 -3.718 1.00 1.06 C ATOM 1917 N6 DA B 4 -1.869 -14.477 -4.606 1.00 1.05 N ATOM 1918 N1 DA B 4 -2.429 -13.976 -2.410 1.00 1.02 N ATOM 1919 C2 DA B 4 -3.060 -13.191 -1.543 1.00 1.11 C ATOM 1920 N3 DA B 4 -3.793 -12.122 -1.763 1.00 1.24 N ATOM 1921 C4 DA B 4 -3.851 -11.862 -3.083 1.00 1.26 C ATOM 0 H5' DA B 4 -8.146 -10.468 -5.089 1.00 2.00 H new ATOM 0 H5'' DA B 4 -8.755 -8.841 -5.318 1.00 2.00 H new ATOM 0 H4' DA B 4 -8.428 -8.874 -3.116 1.00 1.94 H new ATOM 0 H3' DA B 4 -6.858 -7.039 -4.136 1.00 1.99 H new ATOM 0 H2' DA B 4 -4.908 -8.450 -4.676 1.00 1.77 H new ATOM 0 H2'' DA B 4 -4.438 -7.790 -3.122 1.00 1.77 H new ATOM 0 H1' DA B 4 -4.944 -9.707 -1.978 1.00 1.61 H new ATOM 0 H8 DA B 4 -4.684 -10.296 -5.776 1.00 1.47 H new ATOM 0 H61 DA B 4 -1.335 -15.284 -4.283 1.00 1.05 H new ATOM 0 H62 DA B 4 -1.922 -14.267 -5.603 1.00 1.05 H new ATOM 0 H2 DA B 4 -2.955 -13.472 -0.506 1.00 1.11 H new ATOM 1933 P DA B 5 -5.492 -6.409 -1.554 1.00 2.04 P ATOM 1934 OP1 DA B 5 -6.015 -5.357 -0.658 1.00 2.25 O ATOM 1935 OP2 DA B 5 -4.638 -5.942 -2.672 1.00 2.01 O ATOM 1936 O5' DA B 5 -4.702 -7.505 -0.706 1.00 1.83 O ATOM 1937 C5' DA B 5 -5.450 -8.375 0.178 1.00 1.84 C ATOM 1938 C4' DA B 5 -4.624 -8.695 1.402 1.00 1.79 C ATOM 1939 O4' DA B 5 -3.684 -9.765 1.064 1.00 1.56 O ATOM 1940 C3' DA B 5 -3.738 -7.570 1.936 1.00 1.85 C ATOM 1941 O3' DA B 5 -3.430 -7.738 3.317 1.00 1.93 O ATOM 1942 C2' DA B 5 -2.467 -7.725 1.117 1.00 1.64 C ATOM 1943 C1' DA B 5 -2.377 -9.235 0.947 1.00 1.47 C ATOM 1944 N9 DA B 5 -1.831 -9.661 -0.369 1.00 1.29 N ATOM 1945 C8 DA B 5 -2.040 -9.093 -1.598 1.00 1.33 C ATOM 1946 N7 DA B 5 -1.424 -9.704 -2.565 1.00 1.20 N ATOM 1947 C5 DA B 5 -0.753 -10.733 -1.932 1.00 1.03 C ATOM 1948 C6 DA B 5 0.091 -11.756 -2.412 1.00 0.89 C ATOM 1949 N6 DA B 5 0.415 -11.891 -3.708 1.00 0.91 N ATOM 1950 N1 DA B 5 0.584 -12.624 -1.514 1.00 0.84 N ATOM 1951 C2 DA B 5 0.257 -12.480 -0.234 1.00 0.93 C ATOM 1952 N3 DA B 5 -0.516 -11.582 0.335 1.00 1.07 N ATOM 1953 C4 DA B 5 -0.996 -10.729 -0.588 1.00 1.10 C ATOM 0 H5' DA B 5 -5.717 -9.295 -0.342 1.00 1.84 H new ATOM 0 H5'' DA B 5 -6.382 -7.894 0.473 1.00 1.84 H new ATOM 0 H4' DA B 5 -5.367 -8.934 2.163 1.00 1.79 H new ATOM 0 H3' DA B 5 -4.220 -6.596 1.853 1.00 1.85 H new ATOM 0 H2' DA B 5 -2.535 -7.211 0.158 1.00 1.64 H new ATOM 0 H2'' DA B 5 -1.597 -7.321 1.635 1.00 1.64 H new ATOM 0 H1' DA B 5 -1.694 -9.602 1.713 1.00 1.47 H new ATOM 0 H8 DA B 5 -2.658 -8.220 -1.749 1.00 1.33 H new ATOM 0 H61 DA B 5 1.030 -12.649 -4.004 1.00 0.91 H new ATOM 0 H62 DA B 5 0.046 -11.235 -4.397 1.00 0.91 H new ATOM 0 H2 DA B 5 0.690 -13.207 0.437 1.00 0.93 H new ATOM 1965 P DT B 6 -2.103 -7.075 3.908 1.00 1.92 P ATOM 1966 OP1 DT B 6 -2.322 -6.700 5.319 1.00 2.14 O ATOM 1967 OP2 DT B 6 -1.658 -5.986 3.006 1.00 1.89 O ATOM 1968 O5' DT B 6 -1.076 -8.292 3.819 1.00 1.71 O ATOM 1969 C5' DT B 6 -1.495 -9.595 4.292 1.00 1.72 C ATOM 1970 C4' DT B 6 -0.315 -10.322 4.899 1.00 1.68 C ATOM 1971 O4' DT B 6 0.473 -10.914 3.819 1.00 1.45 O ATOM 1972 C3' DT B 6 0.684 -9.466 5.672 1.00 1.76 C ATOM 1973 O3' DT B 6 1.421 -10.227 6.627 1.00 1.86 O ATOM 1974 C2' DT B 6 1.628 -8.983 4.582 1.00 1.55 C ATOM 1975 C1' DT B 6 1.670 -10.180 3.643 1.00 1.36 C ATOM 1976 N1 DT B 6 1.769 -9.812 2.206 1.00 1.16 N ATOM 1977 C2 DT B 6 2.560 -10.608 1.403 1.00 0.98 C ATOM 1978 O2 DT B 6 3.163 -11.577 1.826 1.00 0.99 O ATOM 1979 N3 DT B 6 2.622 -10.229 0.076 1.00 0.85 N ATOM 1980 C4 DT B 6 1.986 -9.156 -0.503 1.00 0.93 C ATOM 1981 O4 DT B 6 2.118 -8.915 -1.709 1.00 0.91 O ATOM 1982 C5 DT B 6 1.185 -8.379 0.413 1.00 1.14 C ATOM 1983 C7 DT B 6 0.466 -7.203 -0.177 1.00 1.31 C ATOM 1984 C6 DT B 6 1.096 -8.721 1.714 1.00 1.23 C ATOM 0 H5' DT B 6 -1.907 -10.176 3.467 1.00 1.72 H new ATOM 0 H5'' DT B 6 -2.287 -9.486 5.033 1.00 1.72 H new ATOM 0 H4' DT B 6 -0.771 -11.024 5.597 1.00 1.68 H new ATOM 0 H3' DT B 6 0.192 -8.674 6.237 1.00 1.76 H new ATOM 0 H2' DT B 6 1.253 -8.088 4.085 1.00 1.55 H new ATOM 0 H2'' DT B 6 2.615 -8.739 4.976 1.00 1.55 H new ATOM 0 H1' DT B 6 2.564 -10.751 3.893 1.00 1.36 H new ATOM 0 H3 DT B 6 3.199 -10.804 -0.538 1.00 0.85 H new ATOM 0 H71 DT B 6 1.038 -6.811 -1.018 1.00 1.31 H new ATOM 0 H72 DT B 6 -0.520 -7.515 -0.522 1.00 1.31 H new ATOM 0 H73 DT B 6 0.356 -6.427 0.580 1.00 1.31 H new ATOM 0 H6 DT B 6 0.486 -8.128 2.379 1.00 1.23 H new ATOM 1997 P DA B 7 2.861 -9.719 7.088 1.00 1.87 P ATOM 1998 OP1 DA B 7 3.103 -10.118 8.488 1.00 2.11 O ATOM 1999 OP2 DA B 7 2.986 -8.271 6.795 1.00 1.84 O ATOM 2000 O5' DA B 7 3.815 -10.542 6.112 1.00 1.65 O ATOM 2001 C5' DA B 7 3.580 -11.962 5.939 1.00 1.65 C ATOM 2002 C4' DA B 7 4.897 -12.678 5.741 1.00 1.62 C ATOM 2003 O4' DA B 7 5.304 -12.524 4.342 1.00 1.37 O ATOM 2004 C3' DA B 7 6.085 -12.146 6.538 1.00 1.73 C ATOM 2005 O3' DA B 7 7.095 -13.135 6.724 1.00 1.83 O ATOM 2006 C2' DA B 7 6.627 -11.041 5.647 1.00 1.51 C ATOM 2007 C1' DA B 7 6.376 -11.605 4.254 1.00 1.30 C ATOM 2008 N9 DA B 7 6.005 -10.573 3.246 1.00 1.09 N ATOM 2009 C8 DA B 7 5.223 -9.463 3.419 1.00 1.14 C ATOM 2010 N7 DA B 7 5.082 -8.756 2.339 1.00 0.99 N ATOM 2011 C5 DA B 7 5.831 -9.437 1.395 1.00 0.80 C ATOM 2012 C6 DA B 7 6.086 -9.197 0.029 1.00 0.64 C ATOM 2013 N6 DA B 7 5.592 -8.138 -0.634 1.00 0.69 N ATOM 2014 N1 DA B 7 6.863 -10.077 -0.619 1.00 0.57 N ATOM 2015 C2 DA B 7 7.348 -11.120 0.050 1.00 0.68 C ATOM 2016 N3 DA B 7 7.179 -11.457 1.309 1.00 0.84 N ATOM 2017 C4 DA B 7 6.396 -10.557 1.931 1.00 0.88 C ATOM 0 H5' DA B 7 2.931 -12.131 5.080 1.00 1.65 H new ATOM 0 H5'' DA B 7 3.065 -12.364 6.811 1.00 1.65 H new ATOM 0 H4' DA B 7 4.694 -13.696 6.072 1.00 1.62 H new ATOM 0 H3' DA B 7 5.792 -11.824 7.537 1.00 1.73 H new ATOM 0 H2' DA B 7 6.106 -10.097 5.805 1.00 1.51 H new ATOM 0 H2'' DA B 7 7.686 -10.854 5.827 1.00 1.51 H new ATOM 0 H1' DA B 7 7.308 -12.063 3.922 1.00 1.30 H new ATOM 0 H8 DA B 7 4.767 -9.201 4.362 1.00 1.14 H new ATOM 0 H61 DA B 7 5.807 -8.010 -1.623 1.00 0.69 H new ATOM 0 H62 DA B 7 5.002 -7.462 -0.148 1.00 0.69 H new ATOM 0 H2 DA B 7 7.972 -11.787 -0.526 1.00 0.68 H new ATOM 2029 P DT B 8 8.603 -12.678 6.971 1.00 1.86 P ATOM 2030 OP1 DT B 8 9.285 -13.658 7.839 1.00 2.10 O ATOM 2031 OP2 DT B 8 8.616 -11.273 7.445 1.00 1.84 O ATOM 2032 O5' DT B 8 9.201 -12.746 5.495 1.00 1.63 O ATOM 2033 C5' DT B 8 8.935 -13.920 4.688 1.00 1.61 C ATOM 2034 C4' DT B 8 10.124 -14.210 3.801 1.00 1.57 C ATOM 2035 O4' DT B 8 10.060 -13.333 2.632 1.00 1.32 O ATOM 2036 C3' DT B 8 11.501 -13.940 4.403 1.00 1.70 C ATOM 2037 O3' DT B 8 12.525 -14.703 3.770 1.00 1.78 O ATOM 2038 C2' DT B 8 11.719 -12.466 4.099 1.00 1.49 C ATOM 2039 C1' DT B 8 11.039 -12.316 2.743 1.00 1.26 C ATOM 2040 N1 DT B 8 10.358 -11.008 2.554 1.00 1.06 N ATOM 2041 C2 DT B 8 10.422 -10.436 1.300 1.00 0.85 C ATOM 2042 O2 DT B 8 11.005 -10.960 0.367 1.00 0.85 O ATOM 2043 N3 DT B 8 9.775 -9.224 1.171 1.00 0.71 N ATOM 2044 C4 DT B 8 9.094 -8.547 2.156 1.00 0.82 C ATOM 2045 O4 DT B 8 8.553 -7.460 1.920 1.00 0.80 O ATOM 2046 C5 DT B 8 9.083 -9.217 3.436 1.00 1.04 C ATOM 2047 C7 DT B 8 8.343 -8.519 4.536 1.00 1.22 C ATOM 2048 C6 DT B 8 9.699 -10.405 3.597 1.00 1.14 C ATOM 0 H5' DT B 8 8.045 -13.760 4.079 1.00 1.61 H new ATOM 0 H5'' DT B 8 8.732 -14.776 5.331 1.00 1.61 H new ATOM 0 H4' DT B 8 10.045 -15.278 3.600 1.00 1.57 H new ATOM 0 H3' DT B 8 11.542 -14.202 5.460 1.00 1.70 H new ATOM 0 H2' DT B 8 11.268 -11.823 4.855 1.00 1.49 H new ATOM 0 H2'' DT B 8 12.778 -12.211 4.054 1.00 1.49 H new ATOM 0 H1' DT B 8 11.819 -12.386 1.985 1.00 1.26 H new ATOM 0 H3 DT B 8 9.805 -8.785 0.251 1.00 0.71 H new ATOM 0 H71 DT B 8 8.387 -7.441 4.377 1.00 1.22 H new ATOM 0 H72 DT B 8 7.302 -8.843 4.537 1.00 1.22 H new ATOM 0 H73 DT B 8 8.801 -8.764 5.495 1.00 1.22 H new ATOM 0 H6 DT B 8 9.674 -10.890 4.561 1.00 1.14 H new ATOM 2061 P DA B 9 14.027 -14.173 3.799 1.00 1.82 P ATOM 2062 OP1 DA B 9 14.959 -15.319 3.815 1.00 2.06 O ATOM 2063 OP2 DA B 9 14.181 -13.197 4.904 1.00 1.83 O ATOM 2064 O5' DA B 9 14.123 -13.412 2.400 1.00 1.59 O ATOM 2065 C5' DA B 9 13.621 -14.073 1.212 1.00 1.55 C ATOM 2066 C4' DA B 9 14.466 -13.687 0.018 1.00 1.52 C ATOM 2067 O4' DA B 9 14.025 -12.377 -0.463 1.00 1.27 O ATOM 2068 C3' DA B 9 15.961 -13.510 0.275 1.00 1.65 C ATOM 2069 O3' DA B 9 16.735 -13.685 -0.910 1.00 1.73 O ATOM 2070 C2' DA B 9 16.058 -12.062 0.726 1.00 1.46 C ATOM 2071 C1' DA B 9 14.980 -11.394 -0.115 1.00 1.23 C ATOM 2072 N9 DA B 9 14.263 -10.296 0.591 1.00 1.04 N ATOM 2073 C8 DA B 9 13.895 -10.233 1.908 1.00 1.11 C ATOM 2074 N7 DA B 9 13.272 -9.136 2.223 1.00 0.98 N ATOM 2075 C5 DA B 9 13.241 -8.423 1.037 1.00 0.79 C ATOM 2076 C6 DA B 9 12.709 -7.161 0.701 1.00 0.64 C ATOM 2077 N6 DA B 9 12.090 -6.365 1.591 1.00 0.71 N ATOM 2078 N1 DA B 9 12.836 -6.754 -0.571 1.00 0.57 N ATOM 2079 C2 DA B 9 13.451 -7.550 -1.441 1.00 0.66 C ATOM 2080 N3 DA B 9 13.980 -8.740 -1.257 1.00 0.79 N ATOM 2081 C4 DA B 9 13.835 -9.122 0.026 1.00 0.84 C ATOM 0 H5' DA B 9 12.582 -13.793 1.040 1.00 1.55 H new ATOM 0 H5'' DA B 9 13.641 -15.154 1.350 1.00 1.55 H new ATOM 0 H4' DA B 9 14.335 -14.519 -0.674 1.00 1.52 H new ATOM 0 H3' DA B 9 16.341 -14.238 0.991 1.00 1.65 H new ATOM 0 H2' DA B 9 15.867 -11.954 1.794 1.00 1.46 H new ATOM 0 H2'' DA B 9 17.045 -11.640 0.534 1.00 1.46 H new ATOM 0 H1' DA B 9 15.477 -10.954 -0.980 1.00 1.23 H new ATOM 0 H8 DA B 9 14.102 -11.020 2.618 1.00 1.11 H new ATOM 0 H61 DA B 9 11.722 -5.460 1.297 1.00 0.71 H new ATOM 0 H62 DA B 9 11.988 -6.666 2.560 1.00 0.71 H new ATOM 0 H2 DA B 9 13.527 -7.162 -2.446 1.00 0.66 H new ATOM 2093 P DA B 10 18.164 -12.986 -1.022 1.00 1.78 P ATOM 2094 OP1 DA B 10 19.061 -13.817 -1.850 1.00 2.00 O ATOM 2095 OP2 DA B 10 18.654 -12.658 0.339 1.00 1.80 O ATOM 2096 O5' DA B 10 17.798 -11.638 -1.792 1.00 1.56 O ATOM 2097 C5' DA B 10 16.947 -11.713 -2.964 1.00 1.52 C ATOM 2098 C4' DA B 10 17.364 -10.659 -3.964 1.00 1.50 C ATOM 2099 O4' DA B 10 16.781 -9.377 -3.563 1.00 1.26 O ATOM 2100 C3' DA B 10 18.860 -10.375 -4.070 1.00 1.63 C ATOM 2101 O3' DA B 10 19.214 -9.816 -5.333 1.00 1.72 O ATOM 2102 C2' DA B 10 19.086 -9.336 -2.984 1.00 1.46 C ATOM 2103 C1' DA B 10 17.788 -8.539 -3.030 1.00 1.24 C ATOM 2104 N9 DA B 10 17.328 -8.064 -1.700 1.00 1.07 N ATOM 2105 C8 DA B 10 17.401 -8.712 -0.495 1.00 1.12 C ATOM 2106 N7 DA B 10 16.904 -8.032 0.493 1.00 1.02 N ATOM 2107 C5 DA B 10 16.487 -6.850 -0.095 1.00 0.85 C ATOM 2108 C6 DA B 10 15.865 -5.697 0.426 1.00 0.74 C ATOM 2109 N6 DA B 10 15.558 -5.552 1.726 1.00 0.81 N ATOM 2110 N1 DA B 10 15.576 -4.709 -0.434 1.00 0.69 N ATOM 2111 C2 DA B 10 15.885 -4.862 -1.718 1.00 0.76 C ATOM 2112 N3 DA B 10 16.456 -5.881 -2.324 1.00 0.86 N ATOM 2113 C4 DA B 10 16.730 -6.854 -1.437 1.00 0.89 C ATOM 0 H5' DA B 10 15.905 -11.566 -2.679 1.00 1.52 H new ATOM 0 H5'' DA B 10 17.018 -12.703 -3.414 1.00 1.52 H new ATOM 0 H4' DA B 10 17.026 -11.061 -4.919 1.00 1.50 H new ATOM 0 H3' DA B 10 19.455 -11.282 -3.966 1.00 1.63 H new ATOM 0 H2' DA B 10 19.248 -9.795 -2.009 1.00 1.46 H new ATOM 0 H2'' DA B 10 19.955 -8.712 -3.191 1.00 1.46 H new ATOM 0 H1' DA B 10 17.977 -7.655 -3.639 1.00 1.24 H new ATOM 0 H8 DA B 10 17.831 -9.696 -0.378 1.00 1.12 H new ATOM 0 H61 DA B 10 15.108 -4.696 2.051 1.00 0.81 H new ATOM 0 H62 DA B 10 15.775 -6.297 2.387 1.00 0.81 H new ATOM 0 H2 DA B 10 15.630 -4.029 -2.356 1.00 0.76 H new ATOM 2125 P DC B 11 20.528 -8.918 -5.450 1.00 1.78 P ATOM 2126 OP1 DC B 11 21.118 -9.074 -6.795 1.00 2.00 O ATOM 2127 OP2 DC B 11 21.425 -9.214 -4.309 1.00 1.79 O ATOM 2128 O5' DC B 11 19.924 -7.451 -5.285 1.00 1.58 O ATOM 2129 C5' DC B 11 18.744 -7.092 -6.046 1.00 1.55 C ATOM 2130 C4' DC B 11 18.807 -5.633 -6.429 1.00 1.54 C ATOM 2131 O4' DC B 11 18.374 -4.829 -5.285 1.00 1.33 O ATOM 2132 C3' DC B 11 20.189 -5.081 -6.775 1.00 1.68 C ATOM 2133 O3' DC B 11 20.116 -3.927 -7.610 1.00 1.78 O ATOM 2134 C2' DC B 11 20.743 -4.679 -5.417 1.00 1.51 C ATOM 2135 C1' DC B 11 19.492 -4.196 -4.694 1.00 1.31 C ATOM 2136 N1 DC B 11 19.479 -4.515 -3.242 1.00 1.14 N ATOM 2137 C2 DC B 11 18.941 -3.568 -2.374 1.00 1.00 C ATOM 2138 O2 DC B 11 18.502 -2.507 -2.838 1.00 1.03 O ATOM 2139 N3 DC B 11 18.920 -3.839 -1.044 1.00 0.91 N ATOM 2140 C4 DC B 11 19.402 -4.994 -0.571 1.00 0.98 C ATOM 2141 N4 DC B 11 19.353 -5.210 0.733 1.00 1.00 N ATOM 2142 C5 DC B 11 19.964 -5.980 -1.442 1.00 1.14 C ATOM 2143 C6 DC B 11 19.972 -5.689 -2.772 1.00 1.20 C ATOM 0 H5' DC B 11 17.847 -7.284 -5.457 1.00 1.55 H new ATOM 0 H5'' DC B 11 18.676 -7.710 -6.941 1.00 1.55 H new ATOM 0 H4' DC B 11 18.182 -5.571 -7.320 1.00 1.54 H new ATOM 0 H3' DC B 11 20.792 -5.807 -7.320 1.00 1.68 H new ATOM 0 H2' DC B 11 21.213 -5.518 -4.903 1.00 1.51 H new ATOM 0 H2'' DC B 11 21.495 -3.894 -5.499 1.00 1.51 H new ATOM 0 H1' DC B 11 19.468 -3.110 -4.787 1.00 1.31 H new ATOM 0 H41 DC B 11 19.714 -6.082 1.119 1.00 1.00 H new ATOM 0 H42 DC B 11 18.955 -4.504 1.352 1.00 1.00 H new ATOM 0 H5 DC B 11 20.362 -6.910 -1.063 1.00 1.14 H new ATOM 0 H6 DC B 11 20.379 -6.408 -3.468 1.00 1.20 H new ATOM 2155 P DG B 12 21.314 -2.876 -7.600 1.00 1.84 P ATOM 2156 OP1 DG B 12 21.446 -2.256 -8.934 1.00 2.07 O ATOM 2157 OP2 DG B 12 22.534 -3.530 -7.065 1.00 1.85 O ATOM 2158 O5' DG B 12 20.785 -1.802 -6.547 1.00 1.66 O ATOM 2159 C5' DG B 12 19.419 -1.326 -6.662 1.00 1.64 C ATOM 2160 C4' DG B 12 19.345 0.122 -6.239 1.00 1.65 C ATOM 2161 O4' DG B 12 19.295 0.181 -4.778 1.00 1.44 O ATOM 2162 C3' DG B 12 20.540 0.999 -6.611 1.00 1.78 C ATOM 2163 O3' DG B 12 20.193 2.380 -6.677 1.00 1.89 O ATOM 2164 C2' DG B 12 21.496 0.778 -5.449 1.00 1.62 C ATOM 2165 C1' DG B 12 20.538 0.628 -4.273 1.00 1.43 C ATOM 2166 N9 DG B 12 20.994 -0.352 -3.251 1.00 1.27 N ATOM 2167 C8 DG B 12 21.642 -1.557 -3.425 1.00 1.29 C ATOM 2168 N7 DG B 12 21.909 -2.186 -2.309 1.00 1.20 N ATOM 2169 C5 DG B 12 21.398 -1.346 -1.318 1.00 1.09 C ATOM 2170 C6 DG B 12 21.388 -1.494 0.088 1.00 1.04 C ATOM 2171 O6 DG B 12 21.831 -2.414 0.775 1.00 1.08 O ATOM 2172 N1 DG B 12 20.768 -0.399 0.716 1.00 1.03 N ATOM 2173 C2 DG B 12 20.239 0.694 0.061 1.00 1.08 C ATOM 2174 N2 DG B 12 19.695 1.638 0.836 1.00 1.16 N ATOM 2175 N3 DG B 12 20.242 0.831 -1.264 1.00 1.15 N ATOM 2176 C4 DG B 12 20.835 -0.219 -1.889 1.00 1.14 C ATOM 0 H5' DG B 12 18.760 -1.931 -6.039 1.00 1.64 H new ATOM 0 H5'' DG B 12 19.072 -1.432 -7.690 1.00 1.64 H new ATOM 0 H4' DG B 12 18.467 0.502 -6.762 1.00 1.65 H new ATOM 0 H3' DG B 12 20.944 0.745 -7.591 1.00 1.78 H new ATOM 0 H2' DG B 12 22.111 -0.111 -5.590 1.00 1.62 H new ATOM 0 H2'' DG B 12 22.177 1.619 -5.316 1.00 1.62 H new ATOM 0 H1' DG B 12 20.476 1.600 -3.783 1.00 1.43 H new ATOM 0 H8 DG B 12 21.906 -1.947 -4.397 1.00 1.29 H new ATOM 0 H1 DG B 12 20.705 -0.414 1.734 1.00 1.03 H new ATOM 0 H21 DG B 12 19.286 2.472 0.414 1.00 1.16 H new ATOM 0 H22 DG B 12 19.689 1.524 1.850 1.00 1.16 H new ATOM 2188 P DT B 13 21.324 3.481 -6.450 1.00 1.95 P ATOM 2189 OP1 DT B 13 21.016 4.682 -7.252 1.00 2.17 O ATOM 2190 OP2 DT B 13 22.656 2.871 -6.683 1.00 1.96 O ATOM 2191 O5' DT B 13 21.149 3.800 -4.897 1.00 1.78 O ATOM 2192 C5' DT B 13 19.816 4.030 -4.378 1.00 1.75 C ATOM 2193 C4' DT B 13 19.870 5.055 -3.268 1.00 1.76 C ATOM 2194 O4' DT B 13 20.291 4.387 -2.036 1.00 1.57 O ATOM 2195 C3' DT B 13 20.875 6.191 -3.442 1.00 1.89 C ATOM 2196 O3' DT B 13 20.516 7.347 -2.691 1.00 1.99 O ATOM 2197 C2' DT B 13 22.155 5.601 -2.869 1.00 1.75 C ATOM 2198 C1' DT B 13 21.626 4.738 -1.731 1.00 1.57 C ATOM 2199 N1 DT B 13 22.393 3.479 -1.527 1.00 1.42 N ATOM 2200 C2 DT B 13 22.584 3.061 -0.227 1.00 1.32 C ATOM 2201 O2 DT B 13 22.154 3.675 0.733 1.00 1.35 O ATOM 2202 N3 DT B 13 23.299 1.887 -0.086 1.00 1.25 N ATOM 2203 C4 DT B 13 23.826 1.121 -1.098 1.00 1.28 C ATOM 2204 O4 DT B 13 24.453 0.084 -0.847 1.00 1.28 O ATOM 2205 C5 DT B 13 23.583 1.638 -2.422 1.00 1.39 C ATOM 2206 C7 DT B 13 24.135 0.830 -3.558 1.00 1.50 C ATOM 2207 C6 DT B 13 22.883 2.777 -2.600 1.00 1.45 C ATOM 0 H5' DT B 13 19.395 3.097 -4.004 1.00 1.75 H new ATOM 0 H5'' DT B 13 19.160 4.378 -5.176 1.00 1.75 H new ATOM 0 H4' DT B 13 18.868 5.485 -3.261 1.00 1.76 H new ATOM 0 H3' DT B 13 20.945 6.518 -4.480 1.00 1.89 H new ATOM 0 H2' DT B 13 22.699 5.013 -3.608 1.00 1.75 H new ATOM 0 H2'' DT B 13 22.836 6.374 -2.512 1.00 1.75 H new ATOM 0 H1' DT B 13 21.717 5.323 -0.816 1.00 1.57 H new ATOM 0 H3 DT B 13 23.451 1.555 0.866 1.00 1.25 H new ATOM 0 H71 DT B 13 25.035 0.310 -3.231 1.00 1.50 H new ATOM 0 H72 DT B 13 23.392 0.101 -3.881 1.00 1.50 H new ATOM 0 H73 DT B 13 24.380 1.491 -4.389 1.00 1.50 H new ATOM 0 H6 DT B 13 22.705 3.142 -3.601 1.00 1.45 H new ATOM 2220 P DC B 14 21.650 8.377 -2.246 1.00 2.06 P ATOM 2221 OP1 DC B 14 21.090 9.741 -2.195 1.00 2.27 O ATOM 2222 OP2 DC B 14 22.841 8.195 -3.110 1.00 2.07 O ATOM 2223 O5' DC B 14 21.980 7.867 -0.771 1.00 1.90 O ATOM 2224 C5' DC B 14 20.881 7.582 0.130 1.00 1.87 C ATOM 2225 C4' DC B 14 21.280 7.929 1.546 1.00 1.89 C ATOM 2226 O4' DC B 14 22.078 6.831 2.092 1.00 1.72 O ATOM 2227 C3' DC B 14 22.167 9.161 1.718 1.00 2.02 C ATOM 2228 O3' DC B 14 22.057 9.726 3.021 1.00 2.12 O ATOM 2229 C2' DC B 14 23.568 8.597 1.533 1.00 1.90 C ATOM 2230 C1' DC B 14 23.438 7.216 2.158 1.00 1.74 C ATOM 2231 N1 DC B 14 24.240 6.168 1.468 1.00 1.60 N ATOM 2232 C2 DC B 14 24.851 5.193 2.254 1.00 1.52 C ATOM 2233 O2 DC B 14 24.710 5.238 3.482 1.00 1.56 O ATOM 2234 N3 DC B 14 25.587 4.232 1.643 1.00 1.45 N ATOM 2235 C4 DC B 14 25.720 4.211 0.311 1.00 1.46 C ATOM 2236 N4 DC B 14 26.447 3.247 -0.232 1.00 1.45 N ATOM 2237 C5 DC B 14 25.107 5.203 -0.515 1.00 1.55 C ATOM 2238 C6 DC B 14 24.371 6.156 0.117 1.00 1.62 C ATOM 0 H5' DC B 14 20.610 6.528 0.066 1.00 1.87 H new ATOM 0 H5'' DC B 14 20.001 8.156 -0.161 1.00 1.87 H new ATOM 0 H4' DC B 14 20.329 8.121 2.043 1.00 1.89 H new ATOM 0 H3' DC B 14 21.899 9.957 1.024 1.00 2.02 H new ATOM 0 H2' DC B 14 23.851 8.544 0.482 1.00 1.90 H new ATOM 0 H2'' DC B 14 24.322 9.203 2.036 1.00 1.90 H new ATOM 0 H1' DC B 14 23.812 7.292 3.179 1.00 1.74 H new ATOM 0 H41 DC B 14 26.566 3.206 -1.244 1.00 1.45 H new ATOM 0 H42 DC B 14 26.889 2.545 0.362 1.00 1.45 H new ATOM 0 H5 DC B 14 25.223 5.196 -1.589 1.00 1.55 H new ATOM 0 H6 DC B 14 23.880 6.919 -0.468 1.00 1.62 H new ATOM 2250 P DG B 15 23.265 10.587 3.607 1.00 2.21 P ATOM 2251 OP1 DG B 15 22.743 11.637 4.501 1.00 2.40 O ATOM 2252 OP2 DG B 15 24.119 11.054 2.486 1.00 2.21 O ATOM 2253 O5' DG B 15 24.055 9.492 4.453 1.00 2.07 O ATOM 2254 C5' DG B 15 23.307 8.620 5.338 1.00 2.04 C ATOM 2255 C4' DG B 15 24.133 8.300 6.560 1.00 2.08 C ATOM 2256 O4' DG B 15 25.073 7.231 6.223 1.00 1.93 O ATOM 2257 C3' DG B 15 25.019 9.424 7.094 1.00 2.21 C ATOM 2258 O3' DG B 15 25.328 9.257 8.475 1.00 2.32 O ATOM 2259 C2' DG B 15 26.291 9.270 6.275 1.00 2.10 C ATOM 2260 C1' DG B 15 26.381 7.760 6.106 1.00 1.95 C ATOM 2261 N9 DG B 15 26.926 7.334 4.790 1.00 1.82 N ATOM 2262 C8 DG B 15 26.729 7.889 3.542 1.00 1.80 C ATOM 2263 N7 DG B 15 27.360 7.273 2.577 1.00 1.72 N ATOM 2264 C5 DG B 15 28.026 6.228 3.222 1.00 1.67 C ATOM 2265 C6 DG B 15 28.868 5.221 2.700 1.00 1.63 C ATOM 2266 O6 DG B 15 29.214 5.028 1.535 1.00 1.62 O ATOM 2267 N1 DG B 15 29.334 4.363 3.712 1.00 1.65 N ATOM 2268 C2 DG B 15 29.025 4.479 5.051 1.00 1.72 C ATOM 2269 N2 DG B 15 29.571 3.568 5.862 1.00 1.80 N ATOM 2270 N3 DG B 15 28.227 5.422 5.544 1.00 1.77 N ATOM 2271 C4 DG B 15 27.763 6.261 4.580 1.00 1.73 C ATOM 0 H5' DG B 15 23.040 7.700 4.817 1.00 2.04 H new ATOM 0 H5'' DG B 15 22.374 9.101 5.634 1.00 2.04 H new ATOM 0 H4' DG B 15 23.389 8.061 7.320 1.00 2.08 H new ATOM 0 H3' DG B 15 24.536 10.398 7.011 1.00 2.21 H new ATOM 0 H2' DG B 15 26.223 9.784 5.316 1.00 2.10 H new ATOM 0 H2'' DG B 15 27.161 9.675 6.793 1.00 2.10 H new ATOM 0 HO3' DG B 15 25.897 9.996 8.775 1.00 2.32 H new ATOM 0 H1' DG B 15 27.064 7.392 6.872 1.00 1.95 H new ATOM 0 H8 DG B 15 26.108 8.757 3.377 1.00 1.80 H new ATOM 0 H1 DG B 15 29.947 3.597 3.435 1.00 1.65 H new ATOM 0 H21 DG B 15 29.382 3.598 6.864 1.00 1.80 H new ATOM 0 H22 DG B 15 30.177 2.842 5.479 1.00 1.80 H new TER 2284 DG B 15 ATOM 2285 OP3 DC C 16 36.767 -0.150 1.272 1.00 2.40 O ATOM 2286 P DC C 16 36.128 -1.599 1.442 1.00 2.45 P ATOM 2287 OP1 DC C 16 37.227 -2.569 1.678 1.00 2.66 O ATOM 2288 OP2 DC C 16 35.175 -1.823 0.324 1.00 2.37 O ATOM 2289 O5' DC C 16 35.291 -1.457 2.794 1.00 2.36 O ATOM 2290 C5' DC C 16 35.923 -1.033 4.029 1.00 2.43 C ATOM 2291 C4' DC C 16 34.963 -1.210 5.181 1.00 2.41 C ATOM 2292 O4' DC C 16 34.044 -0.072 5.203 1.00 2.24 O ATOM 2293 C3' DC C 16 34.048 -2.430 5.120 1.00 2.43 C ATOM 2294 O3' DC C 16 33.588 -2.824 6.411 1.00 2.51 O ATOM 2295 C2' DC C 16 32.868 -1.930 4.302 1.00 2.22 C ATOM 2296 C1' DC C 16 32.768 -0.476 4.745 1.00 2.12 C ATOM 2297 N1 DC C 16 32.358 0.456 3.659 1.00 1.96 N ATOM 2298 C2 DC C 16 31.506 1.506 3.991 1.00 1.85 C ATOM 2299 O2 DC C 16 31.121 1.620 5.162 1.00 1.89 O ATOM 2300 N3 DC C 16 31.120 2.363 3.015 1.00 1.75 N ATOM 2301 C4 DC C 16 31.552 2.213 1.756 1.00 1.76 C ATOM 2302 N4 DC C 16 31.146 3.082 0.844 1.00 1.72 N ATOM 2303 C5 DC C 16 32.422 1.139 1.391 1.00 1.88 C ATOM 2304 C6 DC C 16 32.799 0.292 2.387 1.00 1.97 C ATOM 0 H5' DC C 16 36.226 0.011 3.953 1.00 2.43 H new ATOM 0 H5'' DC C 16 36.827 -1.616 4.204 1.00 2.43 H new ATOM 0 H4' DC C 16 35.615 -1.315 6.048 1.00 2.41 H new ATOM 0 H3' DC C 16 34.557 -3.299 4.704 1.00 2.43 H new ATOM 0 H2' DC C 16 33.048 -2.018 3.231 1.00 2.22 H new ATOM 0 H2'' DC C 16 31.956 -2.486 4.519 1.00 2.22 H new ATOM 0 H1' DC C 16 32.000 -0.428 5.517 1.00 2.12 H new ATOM 0 H41 DC C 16 31.460 2.991 -0.122 1.00 1.72 H new ATOM 0 H42 DC C 16 30.519 3.842 1.108 1.00 1.72 H new ATOM 0 H5 DC C 16 32.763 1.006 0.375 1.00 1.88 H new ATOM 0 H6 DC C 16 33.464 -0.528 2.160 1.00 1.97 H new ATOM 2317 P DG C 17 32.220 -3.633 6.544 1.00 2.47 P ATOM 2318 OP1 DG C 17 32.293 -4.548 7.700 1.00 2.67 O ATOM 2319 OP2 DG C 17 31.896 -4.260 5.240 1.00 2.40 O ATOM 2320 O5' DG C 17 31.184 -2.458 6.842 1.00 2.30 O ATOM 2321 C5' DG C 17 31.523 -1.464 7.840 1.00 2.35 C ATOM 2322 C4' DG C 17 30.273 -1.012 8.557 1.00 2.31 C ATOM 2323 O4' DG C 17 29.593 -0.019 7.729 1.00 2.11 O ATOM 2324 C3' DG C 17 29.213 -2.082 8.811 1.00 2.34 C ATOM 2325 O3' DG C 17 28.362 -1.749 9.906 1.00 2.42 O ATOM 2326 C2' DG C 17 28.400 -2.065 7.526 1.00 2.12 C ATOM 2327 C1' DG C 17 28.436 -0.590 7.148 1.00 1.99 C ATOM 2328 N9 DG C 17 28.499 -0.348 5.680 1.00 1.83 N ATOM 2329 C8 DG C 17 29.181 -1.052 4.708 1.00 1.83 C ATOM 2330 N7 DG C 17 29.025 -0.577 3.499 1.00 1.71 N ATOM 2331 C5 DG C 17 28.184 0.523 3.673 1.00 1.61 C ATOM 2332 C6 DG C 17 27.667 1.436 2.725 1.00 1.50 C ATOM 2333 O6 DG C 17 27.842 1.471 1.507 1.00 1.48 O ATOM 2334 N1 DG C 17 26.849 2.402 3.336 1.00 1.48 N ATOM 2335 C2 DG C 17 26.569 2.466 4.686 1.00 1.57 C ATOM 2336 N2 DG C 17 25.764 3.458 5.075 1.00 1.60 N ATOM 2337 N3 DG C 17 27.062 1.611 5.579 1.00 1.67 N ATOM 2338 C4 DG C 17 27.859 0.668 5.010 1.00 1.68 C ATOM 0 H5' DG C 17 32.010 -0.612 7.367 1.00 2.35 H new ATOM 0 H5'' DG C 17 32.233 -1.880 8.555 1.00 2.35 H new ATOM 0 H4' DG C 17 30.639 -0.659 9.521 1.00 2.31 H new ATOM 0 H3' DG C 17 29.659 -3.045 9.059 1.00 2.34 H new ATOM 0 H2' DG C 17 28.843 -2.695 6.755 1.00 2.12 H new ATOM 0 H2'' DG C 17 27.382 -2.421 7.683 1.00 2.12 H new ATOM 0 H1' DG C 17 27.510 -0.144 7.510 1.00 1.99 H new ATOM 0 H8 DG C 17 29.789 -1.918 4.926 1.00 1.83 H new ATOM 0 H1 DG C 17 26.430 3.111 2.735 1.00 1.48 H new ATOM 0 H21 DG C 17 25.519 3.559 6.060 1.00 1.60 H new ATOM 0 H22 DG C 17 25.394 4.114 4.387 1.00 1.60 H new ATOM 2350 P DA C 18 26.892 -2.363 9.969 1.00 2.38 P ATOM 2351 OP1 DA C 18 26.492 -2.552 11.378 1.00 2.59 O ATOM 2352 OP2 DA C 18 26.827 -3.569 9.110 1.00 2.33 O ATOM 2353 O5' DA C 18 26.031 -1.194 9.310 1.00 2.18 O ATOM 2354 C5' DA C 18 26.255 0.170 9.749 1.00 2.21 C ATOM 2355 C4' DA C 18 24.954 0.936 9.714 1.00 2.15 C ATOM 2356 O4' DA C 18 24.701 1.368 8.338 1.00 1.93 O ATOM 2357 C3' DA C 18 23.697 0.161 10.100 1.00 2.19 C ATOM 2358 O3' DA C 18 22.654 1.017 10.559 1.00 2.25 O ATOM 2359 C2' DA C 18 23.277 -0.481 8.788 1.00 1.97 C ATOM 2360 C1' DA C 18 23.666 0.589 7.774 1.00 1.82 C ATOM 2361 N9 DA C 18 24.162 0.038 6.483 1.00 1.66 N ATOM 2362 C8 DA C 18 24.941 -1.067 6.277 1.00 1.69 C ATOM 2363 N7 DA C 18 25.214 -1.287 5.025 1.00 1.57 N ATOM 2364 C5 DA C 18 24.556 -0.265 4.361 1.00 1.44 C ATOM 2365 C6 DA C 18 24.455 0.068 2.995 1.00 1.32 C ATOM 2366 N6 DA C 18 25.038 -0.647 2.019 1.00 1.32 N ATOM 2367 N1 DA C 18 23.734 1.152 2.676 1.00 1.27 N ATOM 2368 C2 DA C 18 23.160 1.852 3.650 1.00 1.35 C ATOM 2369 N3 DA C 18 23.184 1.654 4.950 1.00 1.46 N ATOM 2370 C4 DA C 18 23.915 0.559 5.238 1.00 1.49 C ATOM 0 H5' DA C 18 26.990 0.653 9.105 1.00 2.21 H new ATOM 0 H5'' DA C 18 26.664 0.175 10.759 1.00 2.21 H new ATOM 0 H4' DA C 18 25.103 1.730 10.446 1.00 2.15 H new ATOM 0 H3' DA C 18 23.886 -0.541 10.912 1.00 2.19 H new ATOM 0 H2' DA C 18 23.798 -1.422 8.609 1.00 1.97 H new ATOM 0 H2'' DA C 18 22.209 -0.698 8.763 1.00 1.97 H new ATOM 0 H1' DA C 18 22.767 1.166 7.556 1.00 1.82 H new ATOM 0 H8 DA C 18 25.296 -1.697 7.079 1.00 1.69 H new ATOM 0 H61 DA C 18 24.933 -0.362 1.045 1.00 1.32 H new ATOM 0 H62 DA C 18 25.586 -1.475 2.251 1.00 1.32 H new ATOM 0 H2 DA C 18 22.590 2.710 3.326 1.00 1.35 H new ATOM 2382 P DC C 19 21.139 0.537 10.441 1.00 2.21 P ATOM 2383 OP1 DC C 19 20.347 1.104 11.551 1.00 2.41 O ATOM 2384 OP2 DC C 19 21.102 -0.938 10.305 1.00 2.18 O ATOM 2385 O5' DC C 19 20.701 1.207 9.060 1.00 2.00 O ATOM 2386 C5' DC C 19 21.029 2.598 8.825 1.00 2.01 C ATOM 2387 C4' DC C 19 19.936 3.251 8.008 1.00 1.95 C ATOM 2388 O4' DC C 19 20.142 2.911 6.598 1.00 1.73 O ATOM 2389 C3' DC C 19 18.508 2.796 8.301 1.00 1.99 C ATOM 2390 O3' DC C 19 17.543 3.773 7.923 1.00 2.05 O ATOM 2391 C2' DC C 19 18.353 1.572 7.409 1.00 1.78 C ATOM 2392 C1' DC C 19 19.178 1.961 6.188 1.00 1.62 C ATOM 2393 N1 DC C 19 19.899 0.821 5.565 1.00 1.46 N ATOM 2394 C2 DC C 19 19.993 0.790 4.176 1.00 1.30 C ATOM 2395 O2 DC C 19 19.471 1.701 3.521 1.00 1.30 O ATOM 2396 N3 DC C 19 20.646 -0.243 3.588 1.00 1.20 N ATOM 2397 C4 DC C 19 21.200 -1.212 4.324 1.00 1.28 C ATOM 2398 N4 DC C 19 21.831 -2.195 3.700 1.00 1.26 N ATOM 2399 C5 DC C 19 21.116 -1.205 5.753 1.00 1.46 C ATOM 2400 C6 DC C 19 20.457 -0.159 6.321 1.00 1.54 C ATOM 0 H5' DC C 19 21.982 2.673 8.301 1.00 2.01 H new ATOM 0 H5'' DC C 19 21.146 3.119 9.775 1.00 2.01 H new ATOM 0 H4' DC C 19 20.015 4.308 8.261 1.00 1.95 H new ATOM 0 H3' DC C 19 18.349 2.613 9.364 1.00 1.99 H new ATOM 0 H2' DC C 19 18.733 0.669 7.887 1.00 1.78 H new ATOM 0 H2'' DC C 19 17.310 1.383 7.153 1.00 1.78 H new ATOM 0 H1' DC C 19 18.484 2.350 5.443 1.00 1.62 H new ATOM 0 H41 DC C 19 22.262 -2.947 4.238 1.00 1.26 H new ATOM 0 H42 DC C 19 21.886 -2.200 2.681 1.00 1.26 H new ATOM 0 H5 DC C 19 21.554 -1.991 6.350 1.00 1.46 H new ATOM 0 H6 DC C 19 20.376 -0.107 7.397 1.00 1.54 H new ATOM 2412 P DG C 20 16.057 3.316 7.577 1.00 2.03 P ATOM 2413 OP1 DG C 20 15.105 4.380 7.951 1.00 2.23 O ATOM 2414 OP2 DG C 20 15.805 1.981 8.174 1.00 2.01 O ATOM 2415 O5' DG C 20 16.128 3.181 5.989 1.00 1.81 O ATOM 2416 C5' DG C 20 16.740 4.249 5.225 1.00 1.82 C ATOM 2417 C4' DG C 20 16.037 4.396 3.897 1.00 1.77 C ATOM 2418 O4' DG C 20 16.553 3.378 2.979 1.00 1.54 O ATOM 2419 C3' DG C 20 14.527 4.169 3.899 1.00 1.83 C ATOM 2420 O3' DG C 20 13.881 4.822 2.808 1.00 1.90 O ATOM 2421 C2' DG C 20 14.410 2.663 3.720 1.00 1.62 C ATOM 2422 C1' DG C 20 15.585 2.360 2.800 1.00 1.45 C ATOM 2423 N9 DG C 20 16.245 1.056 3.077 1.00 1.28 N ATOM 2424 C8 DG C 20 16.483 0.438 4.288 1.00 1.33 C ATOM 2425 N7 DG C 20 17.086 -0.718 4.188 1.00 1.22 N ATOM 2426 C5 DG C 20 17.267 -0.887 2.812 1.00 1.05 C ATOM 2427 C6 DG C 20 17.866 -1.946 2.095 1.00 0.94 C ATOM 2428 O6 DG C 20 18.375 -2.982 2.522 1.00 0.97 O ATOM 2429 N1 DG C 20 17.836 -1.709 0.709 1.00 0.87 N ATOM 2430 C2 DG C 20 17.290 -0.594 0.108 1.00 0.95 C ATOM 2431 N2 DG C 20 17.352 -0.552 -1.227 1.00 0.99 N ATOM 2432 N3 DG C 20 16.733 0.407 0.784 1.00 1.07 N ATOM 2433 C4 DG C 20 16.754 0.200 2.128 1.00 1.10 C ATOM 0 H5' DG C 20 17.797 4.035 5.066 1.00 1.82 H new ATOM 0 H5'' DG C 20 16.685 5.185 5.782 1.00 1.82 H new ATOM 0 H4' DG C 20 16.225 5.432 3.617 1.00 1.77 H new ATOM 0 H3' DG C 20 14.058 4.561 4.802 1.00 1.83 H new ATOM 0 H2' DG C 20 14.488 2.132 4.669 1.00 1.62 H new ATOM 0 H2'' DG C 20 13.458 2.378 3.273 1.00 1.62 H new ATOM 0 H1' DG C 20 15.191 2.314 1.785 1.00 1.45 H new ATOM 0 H8 DG C 20 16.196 0.871 5.235 1.00 1.33 H new ATOM 0 H1 DG C 20 18.250 -2.416 0.101 1.00 0.87 H new ATOM 0 H21 DG C 20 16.966 0.246 -1.731 1.00 0.99 H new ATOM 0 H22 DG C 20 17.786 -1.318 -1.742 1.00 0.99 H new ATOM 2445 P DT C 21 12.487 4.262 2.275 1.00 1.90 P ATOM 2446 OP1 DT C 21 11.667 5.378 1.759 1.00 2.12 O ATOM 2447 OP2 DT C 21 11.860 3.430 3.329 1.00 1.88 O ATOM 2448 O5' DT C 21 12.958 3.328 1.073 1.00 1.69 O ATOM 2449 C5' DT C 21 13.928 3.846 0.126 1.00 1.70 C ATOM 2450 C4' DT C 21 13.645 3.290 -1.252 1.00 1.66 C ATOM 2451 O4' DT C 21 14.205 1.943 -1.338 1.00 1.42 O ATOM 2452 C3' DT C 21 12.174 3.111 -1.620 1.00 1.74 C ATOM 2453 O3' DT C 21 11.968 3.114 -3.030 1.00 1.83 O ATOM 2454 C2' DT C 21 11.853 1.730 -1.071 1.00 1.53 C ATOM 2455 C1' DT C 21 13.164 0.986 -1.297 1.00 1.33 C ATOM 2456 N1 DT C 21 13.489 0.005 -0.226 1.00 1.14 N ATOM 2457 C2 DT C 21 14.077 -1.179 -0.614 1.00 0.96 C ATOM 2458 O2 DT C 21 14.334 -1.439 -1.776 1.00 0.97 O ATOM 2459 N3 DT C 21 14.363 -2.058 0.412 1.00 0.84 N ATOM 2460 C4 DT C 21 14.113 -1.866 1.751 1.00 0.94 C ATOM 2461 O4 DT C 21 14.415 -2.733 2.582 1.00 0.94 O ATOM 2462 C5 DT C 21 13.492 -0.602 2.062 1.00 1.13 C ATOM 2463 C7 DT C 21 13.211 -0.347 3.512 1.00 1.30 C ATOM 2464 C6 DT C 21 13.206 0.284 1.087 1.00 1.22 C ATOM 0 H5' DT C 21 14.936 3.574 0.438 1.00 1.70 H new ATOM 0 H5'' DT C 21 13.884 4.935 0.105 1.00 1.70 H new ATOM 0 H4' DT C 21 14.078 4.030 -1.925 1.00 1.66 H new ATOM 0 H3' DT C 21 11.554 3.916 -1.225 1.00 1.74 H new ATOM 0 H2' DT C 21 11.580 1.764 -0.016 1.00 1.53 H new ATOM 0 H2'' DT C 21 11.023 1.263 -1.601 1.00 1.53 H new ATOM 0 H1' DT C 21 13.060 0.426 -2.226 1.00 1.33 H new ATOM 0 H3 DT C 21 14.805 -2.939 0.150 1.00 0.84 H new ATOM 0 H71 DT C 21 13.024 -1.294 4.018 1.00 1.30 H new ATOM 0 H72 DT C 21 14.070 0.145 3.968 1.00 1.30 H new ATOM 0 H73 DT C 21 12.334 0.294 3.605 1.00 1.30 H new ATOM 0 H6 DT C 21 12.747 1.228 1.343 1.00 1.22 H new ATOM 2477 P DT C 22 10.694 2.372 -3.638 1.00 1.85 P ATOM 2478 OP1 DT C 22 10.247 3.067 -4.860 1.00 2.09 O ATOM 2479 OP2 DT C 22 9.674 2.207 -2.575 1.00 1.83 O ATOM 2480 O5' DT C 22 11.306 0.947 -4.013 1.00 1.63 O ATOM 2481 C5' DT C 22 12.566 0.894 -4.723 1.00 1.63 C ATOM 2482 C4' DT C 22 12.573 -0.289 -5.663 1.00 1.59 C ATOM 2483 O4' DT C 22 12.896 -1.494 -4.899 1.00 1.34 O ATOM 2484 C3' DT C 22 11.247 -0.620 -6.346 1.00 1.69 C ATOM 2485 O3' DT C 22 11.432 -1.343 -7.561 1.00 1.79 O ATOM 2486 C2' DT C 22 10.560 -1.518 -5.331 1.00 1.48 C ATOM 2487 C1' DT C 22 11.734 -2.283 -4.734 1.00 1.26 C ATOM 2488 N1 DT C 22 11.586 -2.574 -3.282 1.00 1.06 N ATOM 2489 C2 DT C 22 12.046 -3.794 -2.833 1.00 0.86 C ATOM 2490 O2 DT C 22 12.556 -4.618 -3.572 1.00 0.87 O ATOM 2491 N3 DT C 22 11.889 -4.021 -1.481 1.00 0.72 N ATOM 2492 C4 DT C 22 11.326 -3.164 -0.564 1.00 0.82 C ATOM 2493 O4 DT C 22 11.239 -3.479 0.628 1.00 0.82 O ATOM 2494 C5 DT C 22 10.869 -1.915 -1.125 1.00 1.04 C ATOM 2495 C7 DT C 22 10.257 -0.946 -0.159 1.00 1.21 C ATOM 2496 C6 DT C 22 11.012 -1.656 -2.439 1.00 1.13 C ATOM 0 H5' DT C 22 13.390 0.812 -4.014 1.00 1.63 H new ATOM 0 H5'' DT C 22 12.718 1.817 -5.283 1.00 1.63 H new ATOM 0 H4' DT C 22 13.292 -0.005 -6.432 1.00 1.59 H new ATOM 0 H3' DT C 22 10.691 0.278 -6.614 1.00 1.69 H new ATOM 0 H2' DT C 22 10.022 -0.943 -4.577 1.00 1.48 H new ATOM 0 H2'' DT C 22 9.836 -2.184 -5.800 1.00 1.48 H new ATOM 0 H1' DT C 22 11.788 -3.241 -5.251 1.00 1.26 H new ATOM 0 H3 DT C 22 12.225 -4.916 -1.125 1.00 0.72 H new ATOM 0 H71 DT C 22 9.782 -1.494 0.655 1.00 1.21 H new ATOM 0 H72 DT C 22 11.033 -0.296 0.245 1.00 1.21 H new ATOM 0 H73 DT C 22 9.510 -0.342 -0.674 1.00 1.21 H new ATOM 0 H6 DT C 22 10.670 -0.711 -2.835 1.00 1.13 H new ATOM 2509 P DA C 23 10.262 -2.280 -8.099 1.00 1.82 P ATOM 2510 OP1 DA C 23 10.286 -2.311 -9.575 1.00 2.06 O ATOM 2511 OP2 DA C 23 8.979 -1.866 -7.481 1.00 1.81 O ATOM 2512 O5' DA C 23 10.696 -3.700 -7.516 1.00 1.58 O ATOM 2513 C5' DA C 23 12.075 -4.122 -7.667 1.00 1.56 C ATOM 2514 C4' DA C 23 12.132 -5.621 -7.855 1.00 1.53 C ATOM 2515 O4' DA C 23 12.026 -6.261 -6.544 1.00 1.27 O ATOM 2516 C3' DA C 23 11.003 -6.245 -8.671 1.00 1.64 C ATOM 2517 O3' DA C 23 11.380 -7.492 -9.249 1.00 1.73 O ATOM 2518 C2' DA C 23 9.924 -6.485 -7.628 1.00 1.44 C ATOM 2519 C1' DA C 23 10.744 -6.843 -6.396 1.00 1.21 C ATOM 2520 N9 DA C 23 10.164 -6.342 -5.122 1.00 1.01 N ATOM 2521 C8 DA C 23 9.519 -5.156 -4.892 1.00 1.06 C ATOM 2522 N7 DA C 23 9.128 -5.008 -3.660 1.00 0.92 N ATOM 2523 C5 DA C 23 9.530 -6.179 -3.042 1.00 0.72 C ATOM 2524 C6 DA C 23 9.410 -6.643 -1.716 1.00 0.57 C ATOM 2525 N6 DA C 23 8.809 -5.937 -0.743 1.00 0.64 N ATOM 2526 N1 DA C 23 9.925 -7.848 -1.434 1.00 0.51 N ATOM 2527 C2 DA C 23 10.518 -8.538 -2.404 1.00 0.61 C ATOM 2528 N3 DA C 23 10.697 -8.217 -3.668 1.00 0.75 N ATOM 2529 C4 DA C 23 10.171 -7.005 -3.919 1.00 0.79 C ATOM 0 H5' DA C 23 12.652 -3.834 -6.788 1.00 1.56 H new ATOM 0 H5'' DA C 23 12.527 -3.621 -8.523 1.00 1.56 H new ATOM 0 H4' DA C 23 13.068 -5.781 -8.390 1.00 1.53 H new ATOM 0 H3' DA C 23 10.703 -5.608 -9.503 1.00 1.64 H new ATOM 0 H2' DA C 23 9.310 -5.599 -7.466 1.00 1.44 H new ATOM 0 H2'' DA C 23 9.250 -7.291 -7.917 1.00 1.44 H new ATOM 0 H1' DA C 23 10.770 -7.931 -6.333 1.00 1.21 H new ATOM 0 H8 DA C 23 9.351 -4.415 -5.659 1.00 1.06 H new ATOM 0 H61 DA C 23 8.749 -6.319 0.201 1.00 0.64 H new ATOM 0 H62 DA C 23 8.413 -5.020 -0.949 1.00 0.64 H new ATOM 0 H2 DA C 23 10.909 -9.501 -2.112 1.00 0.61 H new ATOM 2541 P DT C 24 10.256 -8.563 -9.605 1.00 1.76 P ATOM 2542 OP1 DT C 24 10.670 -9.350 -10.784 1.00 2.00 O ATOM 2543 OP2 DT C 24 8.945 -7.878 -9.713 1.00 1.77 O ATOM 2544 O5' DT C 24 10.267 -9.483 -8.302 1.00 1.53 O ATOM 2545 C5' DT C 24 11.541 -9.933 -7.778 1.00 1.51 C ATOM 2546 C4' DT C 24 11.388 -11.316 -7.185 1.00 1.48 C ATOM 2547 O4' DT C 24 10.826 -11.188 -5.841 1.00 1.23 O ATOM 2548 C3' DT C 24 10.431 -12.262 -7.907 1.00 1.60 C ATOM 2549 O3' DT C 24 10.731 -13.631 -7.649 1.00 1.69 O ATOM 2550 C2' DT C 24 9.086 -11.920 -7.286 1.00 1.40 C ATOM 2551 C1' DT C 24 9.471 -11.598 -5.848 1.00 1.18 C ATOM 2552 N1 DT C 24 8.662 -10.508 -5.240 1.00 0.99 N ATOM 2553 C2 DT C 24 8.325 -10.641 -3.908 1.00 0.79 C ATOM 2554 O2 DT C 24 8.662 -11.599 -3.236 1.00 0.82 O ATOM 2555 N3 DT C 24 7.578 -9.605 -3.386 1.00 0.67 N ATOM 2556 C4 DT C 24 7.144 -8.483 -4.053 1.00 0.77 C ATOM 2557 O4 DT C 24 6.474 -7.620 -3.476 1.00 0.78 O ATOM 2558 C5 DT C 24 7.540 -8.433 -5.442 1.00 0.99 C ATOM 2559 C7 DT C 24 7.097 -7.225 -6.210 1.00 1.18 C ATOM 2560 C6 DT C 24 8.278 -9.422 -5.986 1.00 1.07 C ATOM 0 H5' DT C 24 11.898 -9.238 -7.018 1.00 1.51 H new ATOM 0 H5'' DT C 24 12.287 -9.948 -8.572 1.00 1.51 H new ATOM 0 H4' DT C 24 12.391 -11.738 -7.245 1.00 1.48 H new ATOM 0 H3' DT C 24 10.479 -12.144 -8.989 1.00 1.60 H new ATOM 0 H2' DT C 24 8.612 -11.072 -7.781 1.00 1.40 H new ATOM 0 H2'' DT C 24 8.387 -12.754 -7.344 1.00 1.40 H new ATOM 0 H1' DT C 24 9.293 -12.498 -5.259 1.00 1.18 H new ATOM 0 H3 DT C 24 7.320 -9.679 -2.402 1.00 0.67 H new ATOM 0 H71 DT C 24 6.156 -6.858 -5.800 1.00 1.18 H new ATOM 0 H72 DT C 24 7.855 -6.446 -6.132 1.00 1.18 H new ATOM 0 H73 DT C 24 6.956 -7.491 -7.258 1.00 1.18 H new ATOM 0 H6 DT C 24 8.571 -9.358 -7.024 1.00 1.07 H new ATOM 2573 P DA C 25 9.576 -14.723 -7.778 1.00 1.73 P ATOM 2574 OP1 DA C 25 10.152 -16.009 -8.220 1.00 1.96 O ATOM 2575 OP2 DA C 25 8.482 -14.181 -8.617 1.00 1.74 O ATOM 2576 O5' DA C 25 9.079 -14.839 -6.267 1.00 1.52 O ATOM 2577 C5' DA C 25 10.070 -14.968 -5.214 1.00 1.50 C ATOM 2578 C4' DA C 25 9.527 -15.843 -4.109 1.00 1.49 C ATOM 2579 O4' DA C 25 8.655 -15.036 -3.257 1.00 1.26 O ATOM 2580 C3' DA C 25 8.652 -17.018 -4.541 1.00 1.62 C ATOM 2581 O3' DA C 25 8.632 -18.061 -3.569 1.00 1.72 O ATOM 2582 C2' DA C 25 7.269 -16.393 -4.632 1.00 1.43 C ATOM 2583 C1' DA C 25 7.303 -15.380 -3.495 1.00 1.22 C ATOM 2584 N9 DA C 25 6.560 -14.126 -3.787 1.00 1.02 N ATOM 2585 C8 DA C 25 6.470 -13.450 -4.974 1.00 1.06 C ATOM 2586 N7 DA C 25 5.745 -12.373 -4.909 1.00 0.94 N ATOM 2587 C5 DA C 25 5.315 -12.345 -3.595 1.00 0.78 C ATOM 2588 C6 DA C 25 4.502 -11.441 -2.879 1.00 0.68 C ATOM 2589 N6 DA C 25 3.952 -10.350 -3.437 1.00 0.74 N ATOM 2590 N1 DA C 25 4.282 -11.700 -1.581 1.00 0.65 N ATOM 2591 C2 DA C 25 4.833 -12.783 -1.039 1.00 0.74 C ATOM 2592 N3 DA C 25 5.606 -13.692 -1.592 1.00 0.84 N ATOM 2593 C4 DA C 25 5.811 -13.405 -2.890 1.00 0.85 C ATOM 0 H5' DA C 25 10.326 -13.985 -4.820 1.00 1.50 H new ATOM 0 H5'' DA C 25 10.987 -15.399 -5.615 1.00 1.50 H new ATOM 0 H4' DA C 25 10.422 -16.243 -3.632 1.00 1.49 H new ATOM 0 H3' DA C 25 9.010 -17.476 -5.463 1.00 1.62 H new ATOM 0 H2' DA C 25 7.099 -15.917 -5.598 1.00 1.43 H new ATOM 0 H2'' DA C 25 6.478 -17.131 -4.497 1.00 1.43 H new ATOM 0 H1' DA C 25 6.822 -15.848 -2.636 1.00 1.22 H new ATOM 0 H8 DA C 25 6.956 -13.781 -5.880 1.00 1.06 H new ATOM 0 H61 DA C 25 3.371 -9.728 -2.875 1.00 0.74 H new ATOM 0 H62 DA C 25 4.115 -10.144 -4.423 1.00 0.74 H new ATOM 0 H2 DA C 25 4.614 -12.938 0.007 1.00 0.74 H new ATOM 2605 P DT C 26 7.385 -19.052 -3.511 1.00 1.77 P ATOM 2606 OP1 DT C 26 7.829 -20.387 -3.064 1.00 2.01 O ATOM 2607 OP2 DT C 26 6.665 -19.010 -4.809 1.00 1.77 O ATOM 2608 O5' DT C 26 6.487 -18.369 -2.386 1.00 1.58 O ATOM 2609 C5' DT C 26 7.120 -17.945 -1.151 1.00 1.57 C ATOM 2610 C4' DT C 26 6.159 -18.121 0.002 1.00 1.58 C ATOM 2611 O4' DT C 26 5.241 -16.983 0.024 1.00 1.35 O ATOM 2612 C3' DT C 26 5.244 -19.342 -0.059 1.00 1.70 C ATOM 2613 O3' DT C 26 4.786 -19.735 1.232 1.00 1.82 O ATOM 2614 C2' DT C 26 4.065 -18.842 -0.878 1.00 1.52 C ATOM 2615 C1' DT C 26 3.964 -17.387 -0.434 1.00 1.32 C ATOM 2616 N1 DT C 26 3.554 -16.457 -1.520 1.00 1.13 N ATOM 2617 C2 DT C 26 2.710 -15.421 -1.178 1.00 0.98 C ATOM 2618 O2 DT C 26 2.301 -15.253 -0.043 1.00 1.02 O ATOM 2619 N3 DT C 26 2.357 -14.583 -2.215 1.00 0.87 N ATOM 2620 C4 DT C 26 2.759 -14.686 -3.528 1.00 0.92 C ATOM 2621 O4 DT C 26 2.372 -13.869 -4.374 1.00 0.93 O ATOM 2622 C5 DT C 26 3.635 -15.799 -3.792 1.00 1.08 C ATOM 2623 C7 DT C 26 4.105 -15.945 -5.209 1.00 1.23 C ATOM 2624 C6 DT C 26 4.008 -16.635 -2.804 1.00 1.17 C ATOM 0 H5' DT C 26 7.424 -16.901 -1.227 1.00 1.57 H new ATOM 0 H5'' DT C 26 8.024 -18.528 -0.976 1.00 1.57 H new ATOM 0 H4' DT C 26 6.810 -18.226 0.870 1.00 1.58 H new ATOM 0 H3' DT C 26 5.752 -20.212 -0.474 1.00 1.70 H new ATOM 0 H2' DT C 26 4.246 -18.930 -1.949 1.00 1.52 H new ATOM 0 H2'' DT C 26 3.153 -19.399 -0.662 1.00 1.52 H new ATOM 0 H1' DT C 26 3.197 -17.339 0.339 1.00 1.32 H new ATOM 0 H3 DT C 26 1.735 -13.808 -1.986 1.00 0.87 H new ATOM 0 H71 DT C 26 3.346 -15.553 -5.886 1.00 1.23 H new ATOM 0 H72 DT C 26 5.033 -15.389 -5.344 1.00 1.23 H new ATOM 0 H73 DT C 26 4.278 -16.999 -5.428 1.00 1.23 H new ATOM 0 H6 DT C 26 4.673 -17.457 -3.024 1.00 1.17 H new ATOM 2637 P DT C 27 3.418 -20.545 1.365 1.00 1.88 P ATOM 2638 OP1 DT C 27 3.490 -21.461 2.520 1.00 2.12 O ATOM 2639 OP2 DT C 27 3.093 -21.170 0.061 1.00 1.87 O ATOM 2640 O5' DT C 27 2.381 -19.370 1.661 1.00 1.69 O ATOM 2641 C5' DT C 27 2.721 -18.375 2.662 1.00 1.68 C ATOM 2642 C4' DT C 27 1.470 -17.925 3.378 1.00 1.69 C ATOM 2643 O4' DT C 27 0.790 -16.930 2.549 1.00 1.47 O ATOM 2644 C3' DT C 27 0.409 -18.993 3.632 1.00 1.82 C ATOM 2645 O3' DT C 27 -0.441 -18.660 4.726 1.00 1.93 O ATOM 2646 C2' DT C 27 -0.402 -18.976 2.347 1.00 1.65 C ATOM 2647 C1' DT C 27 -0.366 -17.501 1.968 1.00 1.45 C ATOM 2648 N1 DT C 27 -0.304 -17.260 0.500 1.00 1.27 N ATOM 2649 C2 DT C 27 -1.020 -16.190 0.006 1.00 1.14 C ATOM 2650 O2 DT C 27 -1.683 -15.456 0.717 1.00 1.18 O ATOM 2651 N3 DT C 27 -0.931 -16.003 -1.360 1.00 1.03 N ATOM 2652 C4 DT C 27 -0.214 -16.770 -2.249 1.00 1.07 C ATOM 2653 O4 DT C 27 -0.212 -16.504 -3.456 1.00 1.06 O ATOM 2654 C5 DT C 27 0.498 -17.869 -1.641 1.00 1.21 C ATOM 2655 C7 DT C 27 1.299 -18.728 -2.574 1.00 1.33 C ATOM 2656 C6 DT C 27 0.441 -18.079 -0.313 1.00 1.30 C ATOM 0 H5' DT C 27 3.208 -17.522 2.190 1.00 1.68 H new ATOM 0 H5'' DT C 27 3.431 -18.792 3.377 1.00 1.68 H new ATOM 0 H4' DT C 27 1.836 -17.575 4.343 1.00 1.69 H new ATOM 0 H3' DT C 27 0.853 -19.957 3.881 1.00 1.82 H new ATOM 0 H2' DT C 27 0.042 -19.606 1.576 1.00 1.65 H new ATOM 0 H2'' DT C 27 -1.420 -19.332 2.503 1.00 1.65 H new ATOM 0 H1' DT C 27 -1.292 -17.055 2.330 1.00 1.45 H new ATOM 0 H3 DT C 27 -1.450 -15.216 -1.749 1.00 1.03 H new ATOM 0 H71 DT C 27 0.828 -18.735 -3.557 1.00 1.33 H new ATOM 0 H72 DT C 27 2.310 -18.329 -2.658 1.00 1.33 H new ATOM 0 H73 DT C 27 1.342 -19.745 -2.185 1.00 1.33 H new ATOM 0 H6 DT C 27 0.989 -18.903 0.120 1.00 1.30 H new ATOM 2669 P DG C 28 -1.910 -19.274 4.790 1.00 1.99 P ATOM 2670 OP1 DG C 28 -2.311 -19.463 6.199 1.00 2.23 O ATOM 2671 OP2 DG C 28 -1.975 -20.480 3.930 1.00 1.99 O ATOM 2672 O5' DG C 28 -2.772 -18.106 4.131 1.00 1.81 O ATOM 2673 C5' DG C 28 -2.548 -16.742 4.569 1.00 1.79 C ATOM 2674 C4' DG C 28 -3.849 -15.975 4.534 1.00 1.80 C ATOM 2675 O4' DG C 28 -4.101 -15.544 3.158 1.00 1.60 O ATOM 2676 C3' DG C 28 -5.106 -16.750 4.922 1.00 1.93 C ATOM 2677 O3' DG C 28 -6.148 -15.894 5.379 1.00 2.04 O ATOM 2678 C2' DG C 28 -5.526 -17.392 3.608 1.00 1.78 C ATOM 2679 C1' DG C 28 -5.138 -16.323 2.595 1.00 1.59 C ATOM 2680 N9 DG C 28 -4.641 -16.873 1.304 1.00 1.43 N ATOM 2681 C8 DG C 28 -3.855 -17.982 1.073 1.00 1.44 C ATOM 2682 N7 DG C 28 -3.594 -18.199 -0.191 1.00 1.33 N ATOM 2683 C5 DG C 28 -4.251 -17.157 -0.853 1.00 1.24 C ATOM 2684 C6 DG C 28 -4.330 -16.861 -2.233 1.00 1.17 C ATOM 2685 O6 DG C 28 -3.830 -17.460 -3.186 1.00 1.18 O ATOM 2686 N1 DG C 28 -5.104 -15.711 -2.467 1.00 1.19 N ATOM 2687 C2 DG C 28 -5.721 -14.959 -1.490 1.00 1.27 C ATOM 2688 N2 DG C 28 -6.418 -13.901 -1.912 1.00 1.35 N ATOM 2689 N3 DG C 28 -5.641 -15.235 -0.190 1.00 1.33 N ATOM 2690 C4 DG C 28 -4.894 -16.342 0.059 1.00 1.31 C ATOM 0 H5' DG C 28 -1.813 -16.259 3.925 1.00 1.79 H new ATOM 0 H5'' DG C 28 -2.139 -16.737 5.579 1.00 1.79 H new ATOM 0 H4' DG C 28 -3.701 -15.180 5.265 1.00 1.80 H new ATOM 0 H3' DG C 28 -4.918 -17.451 5.735 1.00 1.93 H new ATOM 0 H2' DG C 28 -5.005 -18.332 3.429 1.00 1.78 H new ATOM 0 H2'' DG C 28 -6.594 -17.609 3.583 1.00 1.78 H new ATOM 0 H1' DG C 28 -6.037 -15.747 2.378 1.00 1.59 H new ATOM 0 H8 DG C 28 -3.487 -18.616 1.866 1.00 1.44 H new ATOM 0 H1 DG C 28 -5.218 -15.410 -3.435 1.00 1.19 H new ATOM 0 H21 DG C 28 -6.898 -13.305 -1.238 1.00 1.35 H new ATOM 0 H22 DG C 28 -6.471 -13.689 -2.908 1.00 1.35 H new ATOM 2702 P DT C 29 -7.664 -16.374 5.261 1.00 2.11 P ATOM 2703 OP1 DT C 29 -8.455 -15.807 6.372 1.00 2.33 O ATOM 2704 OP2 DT C 29 -7.700 -17.850 5.127 1.00 2.12 O ATOM 2705 O5' DT C 29 -8.102 -15.704 3.881 1.00 1.95 O ATOM 2706 C5' DT C 29 -7.776 -14.313 3.644 1.00 1.92 C ATOM 2707 C4' DT C 29 -8.867 -13.662 2.829 1.00 1.94 C ATOM 2708 O4' DT C 29 -8.661 -14.000 1.419 1.00 1.76 O ATOM 2709 C3' DT C 29 -10.295 -14.117 3.121 1.00 2.08 C ATOM 2710 O3' DT C 29 -11.260 -13.137 2.744 1.00 2.19 O ATOM 2711 C2' DT C 29 -10.449 -15.338 2.230 1.00 1.95 C ATOM 2712 C1' DT C 29 -9.625 -14.950 1.010 1.00 1.77 C ATOM 2713 N1 DT C 29 -8.903 -16.090 0.386 1.00 1.62 N ATOM 2714 C2 DT C 29 -8.820 -16.108 -0.992 1.00 1.52 C ATOM 2715 O2 DT C 29 -9.309 -15.239 -1.693 1.00 1.57 O ATOM 2716 N3 DT C 29 -8.139 -17.183 -1.527 1.00 1.43 N ATOM 2717 C4 DT C 29 -7.554 -18.215 -0.830 1.00 1.45 C ATOM 2718 O4 DT C 29 -6.969 -19.129 -1.423 1.00 1.42 O ATOM 2719 C5 DT C 29 -7.694 -18.115 0.602 1.00 1.56 C ATOM 2720 C7 DT C 29 -7.063 -19.215 1.404 1.00 1.65 C ATOM 2721 C6 DT C 29 -8.347 -17.076 1.162 1.00 1.64 C ATOM 0 H5' DT C 29 -6.824 -14.238 3.119 1.00 1.92 H new ATOM 0 H5'' DT C 29 -7.659 -13.791 4.594 1.00 1.92 H new ATOM 0 H4' DT C 29 -8.788 -12.605 3.084 1.00 1.94 H new ATOM 0 H3' DT C 29 -10.455 -14.302 4.183 1.00 2.08 H new ATOM 0 H2' DT C 29 -10.069 -16.241 2.708 1.00 1.95 H new ATOM 0 H2'' DT C 29 -11.492 -15.527 1.974 1.00 1.95 H new ATOM 0 HO3' DT C 29 -12.160 -13.469 2.946 1.00 2.19 H new ATOM 0 H1' DT C 29 -10.320 -14.562 0.265 1.00 1.77 H new ATOM 0 H3 DT C 29 -8.062 -17.216 -2.544 1.00 1.43 H new ATOM 0 H71 DT C 29 -7.068 -20.138 0.824 1.00 1.65 H new ATOM 0 H72 DT C 29 -6.035 -18.945 1.647 1.00 1.65 H new ATOM 0 H73 DT C 29 -7.626 -19.363 2.325 1.00 1.65 H new ATOM 0 H6 DT C 29 -8.434 -17.019 2.237 1.00 1.64 H new TER 2735 DT C 29