USER MOD reduce.3.24.130724 H: found=0, std=0, add=1241, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1243 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 SER OG : rot 129:sc= 0.462 USER MOD Set 1.2: A 76 CYS SG : rot 132:sc= 0.638 USER MOD Set 1.3: B 6 DT C7 :methyl -30:sc= -3.84! (180deg=-5.05!) USER MOD Set 2.1: A 58 LYS NZ :NH3+ -107:sc= -0.672 (180deg=-1.9!) USER MOD Set 2.2: A 71 THR OG1 : rot -128:sc= 0.7 USER MOD Set 2.3: C 22 DT C7 :methyl 150:sc= -5.64! (180deg=-5.05!) USER MOD Set 3.1: A 56 GLN : amide:sc= -0.031 X(o=-0.095,f=-0.37) USER MOD Set 3.2: A 59 HIS : no HD1:sc= -0.0644 X(o=-0.095,f=-0.37) USER MOD Set 4.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 16 LYS NZ :NH3+ 156:sc= 1.25 (180deg=1.16) USER MOD Single : A 1 ARG N :NH3+ -162:sc= 1.11 (180deg=0.549) USER MOD Single : A 5 GLN : amide:sc= 1.24 K(o=1.2,f=-7.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.0167 USER MOD Single : A 15 MET CE :methyl 178:sc= -0.679 (180deg=-0.708) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 68:sc= 0.193 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -168:sc=-0.00785 (180deg=-0.136) USER MOD Single : A 32 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.44) USER MOD Single : A 34 ASN : amide:sc= -0.42 X(o=-0.42,f=-0.03) USER MOD Single : A 37 THR OG1 : rot 3:sc= 0.199 USER MOD Single : A 38 MET CE :methyl 170:sc= -0.129 (180deg=-0.287) USER MOD Single : A 40 GLN : amide:sc= 0.517 K(o=0.52,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.554 USER MOD Single : A 52 THR OG1 : rot 77:sc= 0.611 USER MOD Single : A 61 TYR OH : rot 46:sc= -0.247 USER MOD Single : A 67 ASN : amide:sc= -0.557 K(o=-0.56,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 77 THR OG1 : rot 75:sc= 0.924 USER MOD Single : A 80 HIS : no HE2:sc= -7.08! C(o=-7.1!,f=-7.6!) USER MOD Single : A 81 TYR OH : rot 18:sc= 1.23 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -162:sc= 1.42 (180deg=1.08) USER MOD Single : A 98 LYS NZ :NH3+ -148:sc= -0.0724 (180deg=-0.676) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -133:sc= -0.0143 (180deg=-0.827) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DT C7 :methyl -30:sc= -4.82! (180deg=-5.74!) USER MOD Single : B 13 DT C7 :methyl -30:sc= -3.75! (180deg=-5.09!) USER MOD Single : B 15 DG O3' : rot 180:sc= 0 USER MOD Single : C 21 DT C7 :methyl -30:sc= -5.67! (180deg=-9.91!) USER MOD Single : C 24 DT C7 :methyl -30:sc= -3.85! (180deg=-5.09!) USER MOD Single : C 26 DT C7 :methyl -30:sc= -3.84! (180deg=-5.09!) USER MOD Single : C 27 DT C7 :methyl -30:sc= -4.16! (180deg=-5.05!) USER MOD Single : C 29 DT C7 :methyl -30:sc= -3.73! (180deg=-5.04!) USER MOD Single : C 29 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -14.252 10.428 12.424 1.00 1.75 N ATOM 2 CA ARG A 1 -14.332 8.972 12.732 1.00 1.74 C ATOM 3 C ARG A 1 -15.646 8.331 12.274 1.00 1.77 C ATOM 4 O ARG A 1 -15.649 7.403 11.455 1.00 1.74 O ATOM 5 CB ARG A 1 -14.011 8.710 14.224 1.00 1.77 C ATOM 6 CG ARG A 1 -13.873 7.222 14.600 1.00 1.77 C ATOM 7 CD ARG A 1 -15.160 6.638 15.203 1.00 1.83 C ATOM 8 NE ARG A 1 -15.034 5.192 15.435 1.00 1.84 N ATOM 9 CZ ARG A 1 -14.590 4.562 16.502 1.00 1.86 C ATOM 10 NH1 ARG A 1 -14.170 5.181 17.567 1.00 1.89 N ATOM 11 NH2 ARG A 1 -14.569 3.264 16.489 1.00 1.87 N ATOM 0 H1 ARG A 1 -13.260 10.738 12.469 1.00 1.75 H new ATOM 0 H2 ARG A 1 -14.626 10.602 11.469 1.00 1.75 H new ATOM 0 H3 ARG A 1 -14.813 10.961 13.118 1.00 1.75 H new ATOM 0 HA ARG A 1 -13.564 8.471 12.143 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -13.083 9.223 14.478 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -14.797 9.154 14.834 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -13.602 6.651 13.712 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -13.058 7.107 15.314 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -15.384 7.141 16.144 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -15.998 6.829 14.532 1.00 1.83 H new ATOM 0 HE ARG A 1 -15.331 4.595 14.663 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -14.176 6.200 17.600 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -13.835 4.647 18.369 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -14.892 2.757 15.665 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -14.230 2.751 17.303 1.00 1.87 H new ATOM 27 N ALA A 2 -16.771 8.788 12.832 1.00 1.84 N ATOM 28 CA ALA A 2 -18.061 8.115 12.656 1.00 1.89 C ATOM 29 C ALA A 2 -18.571 8.130 11.206 1.00 1.88 C ATOM 30 O ALA A 2 -19.116 7.134 10.734 1.00 1.89 O ATOM 31 CB ALA A 2 -19.075 8.752 13.614 1.00 1.97 C ATOM 0 H ALA A 2 -16.814 9.626 13.412 1.00 1.84 H new ATOM 0 HA ALA A 2 -17.926 7.060 12.893 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -20.042 8.264 13.497 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -18.730 8.633 14.641 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -19.174 9.813 13.386 1.00 1.97 H new ATOM 37 N ASP A 3 -18.346 9.227 10.478 1.00 1.87 N ATOM 38 CA ASP A 3 -18.756 9.336 9.073 1.00 1.88 C ATOM 39 C ASP A 3 -17.879 8.500 8.123 1.00 1.81 C ATOM 40 O ASP A 3 -18.398 7.961 7.148 1.00 1.82 O ATOM 41 CB ASP A 3 -18.727 10.816 8.673 1.00 1.90 C ATOM 42 CG ASP A 3 -19.344 11.056 7.284 1.00 1.92 C ATOM 43 OD1 ASP A 3 -20.573 10.853 7.128 1.00 1.98 O ATOM 44 OD2 ASP A 3 -18.616 11.491 6.361 1.00 1.89 O ATOM 0 H ASP A 3 -17.879 10.058 10.840 1.00 1.87 H new ATOM 0 HA ASP A 3 -19.764 8.932 8.981 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -19.269 11.402 9.415 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -17.697 11.171 8.677 1.00 1.90 H new ATOM 49 N GLU A 4 -16.590 8.311 8.446 1.00 1.74 N ATOM 50 CA GLU A 4 -15.725 7.415 7.666 1.00 1.68 C ATOM 51 C GLU A 4 -16.190 5.973 7.861 1.00 1.69 C ATOM 52 O GLU A 4 -16.394 5.243 6.893 1.00 1.68 O ATOM 53 CB GLU A 4 -14.256 7.542 8.096 1.00 1.62 C ATOM 54 CG GLU A 4 -13.678 8.959 7.965 1.00 1.61 C ATOM 55 CD GLU A 4 -13.741 9.716 9.303 1.00 1.65 C ATOM 56 OE1 GLU A 4 -14.841 10.139 9.736 1.00 1.71 O ATOM 57 OE2 GLU A 4 -12.700 9.850 9.983 1.00 1.62 O ATOM 0 H GLU A 4 -16.128 8.763 9.235 1.00 1.74 H new ATOM 0 HA GLU A 4 -15.796 7.697 6.615 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -14.164 7.220 9.133 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -13.654 6.860 7.496 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -12.644 8.902 7.626 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -14.232 9.511 7.206 1.00 1.61 H new ATOM 64 N GLN A 5 -16.457 5.583 9.116 1.00 1.72 N ATOM 65 CA GLN A 5 -17.005 4.254 9.388 1.00 1.75 C ATOM 66 C GLN A 5 -18.365 4.038 8.702 1.00 1.81 C ATOM 67 O GLN A 5 -18.539 3.036 8.009 1.00 1.81 O ATOM 68 CB GLN A 5 -17.060 3.951 10.891 1.00 1.78 C ATOM 69 CG GLN A 5 -15.651 3.735 11.478 1.00 1.73 C ATOM 70 CD GLN A 5 -15.645 2.683 12.583 1.00 1.77 C ATOM 71 OE1 GLN A 5 -15.577 2.978 13.770 1.00 1.80 O ATOM 72 NE2 GLN A 5 -15.721 1.413 12.244 1.00 1.77 N ATOM 0 H GLN A 5 -16.304 6.160 9.943 1.00 1.72 H new ATOM 0 HA GLN A 5 -16.316 3.533 8.948 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -17.549 4.775 11.411 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -17.666 3.061 11.062 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -14.971 3.429 10.683 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -15.275 4.678 11.874 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -15.778 1.150 11.260 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -15.723 0.692 12.965 1.00 1.77 H new ATOM 81 N ALA A 6 -19.295 4.993 8.787 1.00 1.86 N ATOM 82 CA ALA A 6 -20.569 4.927 8.068 1.00 1.92 C ATOM 83 C ALA A 6 -20.374 4.772 6.547 1.00 1.90 C ATOM 84 O ALA A 6 -20.939 3.853 5.942 1.00 1.92 O ATOM 85 CB ALA A 6 -21.400 6.168 8.415 1.00 1.98 C ATOM 0 H ALA A 6 -19.186 5.833 9.356 1.00 1.86 H new ATOM 0 HA ALA A 6 -21.107 4.034 8.387 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -22.351 6.129 7.884 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -21.584 6.194 9.489 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -20.856 7.065 8.119 1.00 1.98 H new ATOM 91 N PHE A 7 -19.519 5.592 5.923 1.00 1.85 N ATOM 92 CA PHE A 7 -19.261 5.491 4.486 1.00 1.83 C ATOM 93 C PHE A 7 -18.380 4.292 4.096 1.00 1.77 C ATOM 94 O PHE A 7 -18.427 3.880 2.932 1.00 1.78 O ATOM 95 CB PHE A 7 -18.828 6.847 3.889 1.00 1.82 C ATOM 96 CG PHE A 7 -17.367 7.284 3.908 1.00 1.75 C ATOM 97 CD1 PHE A 7 -16.394 6.579 3.169 1.00 1.69 C ATOM 98 CD2 PHE A 7 -17.012 8.519 4.488 1.00 1.75 C ATOM 99 CE1 PHE A 7 -15.090 7.083 3.044 1.00 1.63 C ATOM 100 CE2 PHE A 7 -15.701 9.017 4.379 1.00 1.69 C ATOM 101 CZ PHE A 7 -14.734 8.294 3.660 1.00 1.63 C ATOM 0 H PHE A 7 -18.996 6.331 6.392 1.00 1.85 H new ATOM 0 HA PHE A 7 -20.211 5.255 4.007 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -19.150 6.854 2.848 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -19.399 7.619 4.404 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -16.655 5.644 2.696 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -17.756 9.090 5.023 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -14.356 6.536 2.471 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -15.438 9.954 4.847 1.00 1.69 H new ATOM 0 HZ PHE A 7 -13.724 8.667 3.582 1.00 1.63 H new ATOM 111 N LEU A 8 -17.691 3.639 5.053 1.00 1.73 N ATOM 112 CA LEU A 8 -17.006 2.383 4.705 1.00 1.69 C ATOM 113 C LEU A 8 -17.891 1.161 4.995 1.00 1.75 C ATOM 114 O LEU A 8 -17.626 0.091 4.457 1.00 1.73 O ATOM 115 CB LEU A 8 -15.652 2.300 5.438 1.00 1.63 C ATOM 116 CG LEU A 8 -14.426 2.292 4.513 1.00 1.56 C ATOM 117 CD1 LEU A 8 -14.276 0.929 3.848 1.00 1.55 C ATOM 118 CD2 LEU A 8 -14.416 3.407 3.462 1.00 1.55 C ATOM 0 H LEU A 8 -17.596 3.941 6.023 1.00 1.73 H new ATOM 0 HA LEU A 8 -16.812 2.378 3.632 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -15.571 3.146 6.121 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -15.638 1.396 6.047 1.00 1.63 H new ATOM 0 HG LEU A 8 -13.569 2.492 5.156 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -13.403 0.937 3.195 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -14.150 0.163 4.613 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -15.167 0.711 3.260 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -13.515 3.325 2.853 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -15.295 3.313 2.824 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -14.431 4.377 3.960 1.00 1.55 H new ATOM 130 N VAL A 9 -18.967 1.306 5.784 1.00 1.81 N ATOM 131 CA VAL A 9 -20.014 0.271 5.880 1.00 1.87 C ATOM 132 C VAL A 9 -20.878 0.304 4.611 1.00 1.92 C ATOM 133 O VAL A 9 -21.218 -0.748 4.059 1.00 1.94 O ATOM 134 CB VAL A 9 -20.857 0.444 7.162 1.00 1.93 C ATOM 135 CG1 VAL A 9 -22.133 -0.411 7.172 1.00 2.01 C ATOM 136 CG2 VAL A 9 -20.035 0.029 8.390 1.00 1.91 C ATOM 0 H VAL A 9 -19.137 2.127 6.365 1.00 1.81 H new ATOM 0 HA VAL A 9 -19.545 -0.710 5.952 1.00 1.87 H new ATOM 0 HB VAL A 9 -21.138 1.497 7.189 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -22.678 -0.241 8.101 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -22.763 -0.135 6.326 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -21.865 -1.465 7.096 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -20.637 0.154 9.290 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -19.739 -1.016 8.294 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -19.144 0.653 8.460 1.00 1.91 H new ATOM 146 N ALA A 10 -21.153 1.500 4.083 1.00 1.93 N ATOM 147 CA ALA A 10 -21.773 1.648 2.766 1.00 1.97 C ATOM 148 C ALA A 10 -20.884 1.083 1.639 1.00 1.92 C ATOM 149 O ALA A 10 -21.380 0.312 0.808 1.00 1.96 O ATOM 150 CB ALA A 10 -22.103 3.129 2.542 1.00 1.99 C ATOM 0 H ALA A 10 -20.954 2.384 4.552 1.00 1.93 H new ATOM 0 HA ALA A 10 -22.693 1.064 2.738 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -22.566 3.255 1.563 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -22.791 3.469 3.316 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -21.186 3.717 2.588 1.00 1.99 H new ATOM 156 N LEU A 11 -19.569 1.381 1.645 1.00 1.84 N ATOM 157 CA LEU A 11 -18.643 0.694 0.738 1.00 1.80 C ATOM 158 C LEU A 11 -18.625 -0.812 0.987 1.00 1.80 C ATOM 159 O LEU A 11 -18.662 -1.546 0.014 1.00 1.82 O ATOM 160 CB LEU A 11 -17.209 1.241 0.792 1.00 1.71 C ATOM 161 CG LEU A 11 -16.255 0.503 -0.184 1.00 1.67 C ATOM 162 CD1 LEU A 11 -16.633 0.642 -1.659 1.00 1.71 C ATOM 163 CD2 LEU A 11 -14.842 1.046 -0.040 1.00 1.59 C ATOM 0 H LEU A 11 -19.137 2.076 2.254 1.00 1.84 H new ATOM 0 HA LEU A 11 -19.028 0.893 -0.262 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -17.220 2.304 0.551 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -16.826 1.149 1.808 1.00 1.71 H new ATOM 0 HG LEU A 11 -16.332 -0.549 0.090 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -15.915 0.097 -2.272 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -17.631 0.233 -1.819 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -16.623 1.695 -1.939 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -14.179 0.522 -0.729 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -14.836 2.111 -0.270 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -14.496 0.894 0.982 1.00 1.59 H new ATOM 175 N TYR A 12 -18.593 -1.298 2.231 1.00 1.80 N ATOM 176 CA TYR A 12 -18.598 -2.737 2.519 1.00 1.81 C ATOM 177 C TYR A 12 -19.771 -3.445 1.838 1.00 1.89 C ATOM 178 O TYR A 12 -19.556 -4.462 1.173 1.00 1.89 O ATOM 179 CB TYR A 12 -18.592 -3.001 4.032 1.00 1.82 C ATOM 180 CG TYR A 12 -18.924 -4.432 4.422 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.138 -5.499 3.945 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.063 -4.697 5.211 1.00 1.94 C ATOM 183 CE1 TYR A 12 -18.494 -6.830 4.244 1.00 1.89 C ATOM 184 CE2 TYR A 12 -20.414 -6.024 5.520 1.00 1.99 C ATOM 185 CZ TYR A 12 -19.633 -7.095 5.034 1.00 1.96 C ATOM 186 OH TYR A 12 -19.981 -8.382 5.316 1.00 2.02 O ATOM 0 H TYR A 12 -18.563 -0.710 3.064 1.00 1.80 H new ATOM 0 HA TYR A 12 -17.681 -3.155 2.104 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -17.609 -2.748 4.428 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.309 -2.332 4.508 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.260 -5.297 3.349 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -20.666 -3.880 5.578 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -17.895 -7.647 3.869 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -21.283 -6.224 6.130 1.00 1.99 H new ATOM 0 HH TYR A 12 -20.788 -8.388 5.871 1.00 2.02 H new ATOM 196 N LYS A 13 -20.983 -2.876 1.913 1.00 1.95 N ATOM 197 CA LYS A 13 -22.127 -3.387 1.147 1.00 2.03 C ATOM 198 C LYS A 13 -21.869 -3.324 -0.360 1.00 2.02 C ATOM 199 O LYS A 13 -21.912 -4.376 -1.007 1.00 2.05 O ATOM 200 CB LYS A 13 -23.412 -2.659 1.580 1.00 2.10 C ATOM 201 CG LYS A 13 -24.664 -3.271 0.933 1.00 2.18 C ATOM 202 CD LYS A 13 -25.967 -2.577 1.365 1.00 2.25 C ATOM 203 CE LYS A 13 -26.275 -2.784 2.854 1.00 2.27 C ATOM 204 NZ LYS A 13 -27.581 -2.178 3.232 1.00 2.34 N ATOM 0 H LYS A 13 -21.195 -2.065 2.494 1.00 1.95 H new ATOM 0 HA LYS A 13 -22.265 -4.445 1.370 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.506 -2.703 2.665 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -23.341 -1.606 1.309 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.571 -3.213 -0.151 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -24.719 -4.328 1.192 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -25.893 -1.510 1.157 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -26.795 -2.961 0.769 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.289 -3.851 3.078 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.480 -2.342 3.455 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -27.757 -2.337 4.245 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.558 -1.156 3.041 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -28.342 -2.617 2.675 1.00 2.34 H new ATOM 218 N TYR A 14 -21.540 -2.157 -0.930 1.00 2.00 N ATOM 219 CA TYR A 14 -21.244 -2.092 -2.368 1.00 2.00 C ATOM 220 C TYR A 14 -20.120 -3.022 -2.861 1.00 1.95 C ATOM 221 O TYR A 14 -20.265 -3.647 -3.909 1.00 1.99 O ATOM 222 CB TYR A 14 -20.933 -0.631 -2.717 1.00 1.98 C ATOM 223 CG TYR A 14 -20.890 -0.346 -4.206 1.00 2.01 C ATOM 224 CD1 TYR A 14 -22.094 -0.173 -4.915 1.00 2.10 C ATOM 225 CD2 TYR A 14 -19.656 -0.262 -4.884 1.00 1.96 C ATOM 226 CE1 TYR A 14 -22.073 0.079 -6.299 1.00 2.14 C ATOM 227 CE2 TYR A 14 -19.631 -0.019 -6.273 1.00 1.99 C ATOM 228 CZ TYR A 14 -20.840 0.150 -6.982 1.00 2.09 C ATOM 229 OH TYR A 14 -20.812 0.352 -8.329 1.00 2.13 O ATOM 0 H TYR A 14 -21.473 -1.268 -0.434 1.00 2.00 H new ATOM 0 HA TYR A 14 -22.128 -2.460 -2.889 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -21.686 0.009 -2.257 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -19.973 -0.360 -2.278 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -23.038 -0.234 -4.394 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -18.731 -0.384 -4.340 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -22.999 0.218 -6.838 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -18.687 0.038 -6.794 1.00 1.99 H new ATOM 0 HH TYR A 14 -19.882 0.375 -8.637 1.00 2.13 H new ATOM 239 N MET A 15 -19.019 -3.165 -2.117 1.00 1.88 N ATOM 240 CA MET A 15 -17.886 -3.997 -2.517 1.00 1.83 C ATOM 241 C MET A 15 -18.178 -5.492 -2.328 1.00 1.86 C ATOM 242 O MET A 15 -17.731 -6.301 -3.143 1.00 1.86 O ATOM 243 CB MET A 15 -16.572 -3.514 -1.892 1.00 1.74 C ATOM 244 CG MET A 15 -16.382 -3.835 -0.411 1.00 1.72 C ATOM 245 SD MET A 15 -15.000 -2.967 0.390 1.00 1.62 S ATOM 246 CE MET A 15 -13.631 -3.285 -0.760 1.00 1.57 C ATOM 0 H MET A 15 -18.891 -2.704 -1.216 1.00 1.88 H new ATOM 0 HA MET A 15 -17.741 -3.877 -3.591 1.00 1.83 H new ATOM 0 HB2 MET A 15 -15.744 -3.953 -2.449 1.00 1.74 H new ATOM 0 HB3 MET A 15 -16.506 -2.434 -2.022 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.302 -3.590 0.120 1.00 1.72 H new ATOM 0 HG3 MET A 15 -16.228 -4.909 -0.304 1.00 1.72 H new ATOM 0 HE1 MET A 15 -12.733 -2.779 -0.406 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.445 -4.357 -0.816 1.00 1.57 H new ATOM 0 HE3 MET A 15 -13.892 -2.910 -1.749 1.00 1.57 H new ATOM 256 N LYS A 16 -19.007 -5.881 -1.341 1.00 1.90 N ATOM 257 CA LYS A 16 -19.535 -7.253 -1.258 1.00 1.96 C ATOM 258 C LYS A 16 -20.441 -7.573 -2.457 1.00 2.03 C ATOM 259 O LYS A 16 -20.322 -8.647 -3.043 1.00 2.05 O ATOM 260 CB LYS A 16 -20.237 -7.443 0.096 1.00 1.99 C ATOM 261 CG LYS A 16 -20.675 -8.896 0.325 1.00 2.05 C ATOM 262 CD LYS A 16 -20.881 -9.175 1.820 1.00 2.07 C ATOM 263 CE LYS A 16 -21.367 -10.612 2.029 1.00 2.13 C ATOM 264 NZ LYS A 16 -21.246 -11.017 3.451 1.00 2.15 N ATOM 0 H LYS A 16 -19.324 -5.265 -0.592 1.00 1.90 H new ATOM 0 HA LYS A 16 -18.715 -7.969 -1.311 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -19.564 -7.138 0.898 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.109 -6.791 0.146 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -21.601 -9.091 -0.217 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -19.922 -9.575 -0.076 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -19.947 -9.018 2.359 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -21.608 -8.474 2.231 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -22.406 -10.697 1.711 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -20.786 -11.290 1.404 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -21.919 -11.784 3.652 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -20.278 -11.349 3.636 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -21.456 -10.203 4.063 1.00 2.15 H new ATOM 278 N GLU A 17 -21.235 -6.598 -2.906 1.00 2.07 N ATOM 279 CA GLU A 17 -21.983 -6.693 -4.179 1.00 2.13 C ATOM 280 C GLU A 17 -21.079 -6.592 -5.442 1.00 2.10 C ATOM 281 O GLU A 17 -21.569 -6.681 -6.571 1.00 2.16 O ATOM 282 CB GLU A 17 -23.090 -5.619 -4.164 1.00 2.18 C ATOM 283 CG GLU A 17 -24.258 -5.910 -5.116 1.00 2.27 C ATOM 284 CD GLU A 17 -25.409 -4.909 -4.900 1.00 2.33 C ATOM 285 OE1 GLU A 17 -25.426 -3.840 -5.559 1.00 2.34 O ATOM 286 OE2 GLU A 17 -26.319 -5.190 -4.082 1.00 2.37 O ATOM 0 H GLU A 17 -21.383 -5.721 -2.406 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.427 -7.686 -4.250 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -23.477 -5.526 -3.149 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -22.651 -4.657 -4.428 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -23.913 -5.855 -6.148 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -24.619 -6.926 -4.954 1.00 2.27 H new ATOM 293 N ARG A 18 -19.758 -6.431 -5.261 1.00 2.02 N ATOM 294 CA ARG A 18 -18.771 -6.446 -6.368 1.00 1.99 C ATOM 295 C ARG A 18 -17.735 -7.579 -6.217 1.00 1.95 C ATOM 296 O ARG A 18 -16.659 -7.527 -6.816 1.00 1.90 O ATOM 297 CB ARG A 18 -18.150 -5.038 -6.560 1.00 1.94 C ATOM 298 CG ARG A 18 -18.915 -4.164 -7.571 1.00 2.01 C ATOM 299 CD ARG A 18 -20.199 -3.531 -7.022 1.00 2.06 C ATOM 300 NE ARG A 18 -21.005 -2.936 -8.104 1.00 2.13 N ATOM 301 CZ ARG A 18 -21.971 -3.524 -8.792 1.00 2.22 C ATOM 302 NH1 ARG A 18 -22.344 -4.757 -8.582 1.00 2.24 N ATOM 303 NH2 ARG A 18 -22.585 -2.869 -9.735 1.00 2.28 N ATOM 0 H ARG A 18 -19.337 -6.286 -4.343 1.00 2.02 H new ATOM 0 HA ARG A 18 -19.294 -6.682 -7.295 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -18.122 -4.527 -5.598 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -17.118 -5.147 -6.893 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -18.254 -3.370 -7.919 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -19.168 -4.772 -8.440 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -20.786 -4.287 -6.501 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -19.945 -2.764 -6.290 1.00 2.06 H new ATOM 0 HE ARG A 18 -20.796 -1.968 -8.348 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -21.885 -5.313 -7.860 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -23.094 -5.165 -9.140 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -22.321 -1.906 -9.942 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -23.330 -3.319 -10.267 1.00 2.28 H new ATOM 317 N LYS A 19 -18.059 -8.622 -5.435 1.00 1.97 N ATOM 318 CA LYS A 19 -17.264 -9.852 -5.211 1.00 1.95 C ATOM 319 C LYS A 19 -15.917 -9.557 -4.538 1.00 1.86 C ATOM 320 O LYS A 19 -14.976 -10.353 -4.611 1.00 1.84 O ATOM 321 CB LYS A 19 -17.139 -10.679 -6.511 1.00 1.99 C ATOM 322 CG LYS A 19 -18.502 -11.027 -7.134 1.00 2.09 C ATOM 323 CD LYS A 19 -18.332 -11.869 -8.406 1.00 2.13 C ATOM 324 CE LYS A 19 -19.702 -12.166 -9.029 1.00 2.22 C ATOM 325 NZ LYS A 19 -19.574 -12.959 -10.281 1.00 2.27 N ATOM 0 H LYS A 19 -18.933 -8.635 -4.909 1.00 1.97 H new ATOM 0 HA LYS A 19 -17.805 -10.477 -4.501 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -16.546 -10.120 -7.235 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -16.597 -11.600 -6.299 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -19.106 -11.574 -6.411 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -19.041 -10.110 -7.371 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -17.706 -11.337 -9.122 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -17.822 -12.802 -8.168 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -20.317 -12.712 -8.313 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -20.216 -11.229 -9.242 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -20.519 -13.141 -10.675 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -19.008 -12.427 -10.972 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -19.106 -13.864 -10.072 1.00 2.27 H new ATOM 339 N THR A 20 -15.854 -8.412 -3.852 1.00 1.82 N ATOM 340 CA THR A 20 -14.627 -7.934 -3.217 1.00 1.73 C ATOM 341 C THR A 20 -14.913 -7.406 -1.799 1.00 1.72 C ATOM 342 O THR A 20 -14.635 -6.243 -1.517 1.00 1.68 O ATOM 343 CB THR A 20 -13.905 -6.890 -4.109 1.00 1.69 C ATOM 344 OG1 THR A 20 -13.842 -7.317 -5.456 1.00 1.72 O ATOM 345 CG2 THR A 20 -12.447 -6.656 -3.700 1.00 1.61 C ATOM 0 H THR A 20 -16.653 -7.792 -3.722 1.00 1.82 H new ATOM 0 HA THR A 20 -13.943 -8.776 -3.109 1.00 1.73 H new ATOM 0 HB THR A 20 -14.492 -5.980 -3.987 1.00 1.69 H new ATOM 0 HG1 THR A 20 -14.743 -7.319 -5.841 1.00 1.72 H new ATOM 0 HG21 THR A 20 -11.998 -5.916 -4.362 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.411 -6.293 -2.673 1.00 1.61 H new ATOM 0 HG23 THR A 20 -11.894 -7.592 -3.774 1.00 1.61 H new ATOM 353 N PRO A 21 -15.528 -8.197 -0.894 1.00 1.76 N ATOM 354 CA PRO A 21 -15.855 -7.753 0.467 1.00 1.76 C ATOM 355 C PRO A 21 -14.604 -7.486 1.322 1.00 1.69 C ATOM 356 O PRO A 21 -13.539 -8.055 1.084 1.00 1.66 O ATOM 357 CB PRO A 21 -16.695 -8.889 1.061 1.00 1.84 C ATOM 358 CG PRO A 21 -16.174 -10.131 0.343 1.00 1.85 C ATOM 359 CD PRO A 21 -15.894 -9.600 -1.060 1.00 1.82 C ATOM 0 HA PRO A 21 -16.388 -6.802 0.449 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -16.562 -8.964 2.140 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -17.759 -8.738 0.880 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -15.275 -10.527 0.815 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -16.910 -10.935 0.334 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.088 -10.160 -1.535 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -16.772 -9.701 -1.698 1.00 1.82 H new ATOM 367 N ILE A 22 -14.754 -6.708 2.401 1.00 1.68 N ATOM 368 CA ILE A 22 -13.695 -6.569 3.434 1.00 1.64 C ATOM 369 C ILE A 22 -13.361 -7.941 4.078 1.00 1.67 C ATOM 370 O ILE A 22 -12.252 -8.175 4.550 1.00 1.64 O ATOM 371 CB ILE A 22 -14.107 -5.472 4.452 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.186 -4.113 3.726 1.00 1.61 C ATOM 373 CG2 ILE A 22 -13.139 -5.388 5.647 1.00 1.61 C ATOM 374 CD1 ILE A 22 -14.663 -2.938 4.587 1.00 1.62 C ATOM 0 H ILE A 22 -15.594 -6.162 2.590 1.00 1.68 H new ATOM 0 HA ILE A 22 -12.763 -6.238 2.975 1.00 1.64 H new ATOM 0 HB ILE A 22 -15.083 -5.737 4.858 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.200 -3.874 3.329 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -14.857 -4.214 2.873 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -13.471 -4.606 6.330 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -13.123 -6.344 6.170 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -12.137 -5.154 5.288 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -14.683 -2.030 3.984 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -15.664 -3.146 4.964 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -13.981 -2.801 5.426 1.00 1.62 H new ATOM 386 N GLU A 23 -14.314 -8.875 3.991 1.00 1.74 N ATOM 387 CA GLU A 23 -14.085 -10.297 4.319 1.00 1.78 C ATOM 388 C GLU A 23 -12.906 -10.974 3.563 1.00 1.75 C ATOM 389 O GLU A 23 -12.465 -12.047 3.986 1.00 1.78 O ATOM 390 CB GLU A 23 -15.377 -11.110 4.133 1.00 1.87 C ATOM 391 CG GLU A 23 -16.518 -10.631 5.039 1.00 1.91 C ATOM 392 CD GLU A 23 -17.739 -11.561 4.922 1.00 2.00 C ATOM 393 OE1 GLU A 23 -18.557 -11.375 3.991 1.00 2.02 O ATOM 394 OE2 GLU A 23 -17.891 -12.485 5.760 1.00 2.06 O ATOM 0 H GLU A 23 -15.268 -8.672 3.692 1.00 1.74 H new ATOM 0 HA GLU A 23 -13.785 -10.295 5.367 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -15.694 -11.045 3.092 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -15.172 -12.161 4.339 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -16.177 -10.600 6.074 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -16.802 -9.615 4.766 1.00 1.91 H new ATOM 401 N ARG A 24 -12.340 -10.357 2.503 1.00 1.69 N ATOM 402 CA ARG A 24 -11.090 -10.790 1.824 1.00 1.65 C ATOM 403 C ARG A 24 -9.908 -9.808 1.987 1.00 1.57 C ATOM 404 O ARG A 24 -8.885 -9.951 1.316 1.00 1.53 O ATOM 405 CB ARG A 24 -11.377 -11.196 0.359 1.00 1.67 C ATOM 406 CG ARG A 24 -11.358 -10.054 -0.681 1.00 1.62 C ATOM 407 CD ARG A 24 -11.939 -10.486 -2.037 1.00 1.67 C ATOM 408 NE ARG A 24 -11.125 -11.522 -2.700 1.00 1.67 N ATOM 409 CZ ARG A 24 -11.403 -12.143 -3.837 1.00 1.72 C ATOM 410 NH1 ARG A 24 -12.481 -11.909 -4.533 1.00 1.77 N ATOM 411 NH2 ARG A 24 -10.575 -13.032 -4.309 1.00 1.72 N ATOM 0 H ARG A 24 -12.747 -9.522 2.082 1.00 1.69 H new ATOM 0 HA ARG A 24 -10.739 -11.683 2.341 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -10.642 -11.944 0.060 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -12.354 -11.677 0.322 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -11.928 -9.208 -0.298 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -10.333 -9.711 -0.821 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -12.951 -10.863 -1.891 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.014 -9.616 -2.689 1.00 1.67 H new ATOM 0 HE ARG A 24 -10.257 -11.788 -2.235 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.158 -11.219 -4.208 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -12.647 -12.416 -5.403 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -9.716 -13.248 -3.803 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -10.786 -13.512 -5.184 1.00 1.72 H new ATOM 425 N ILE A 25 -10.031 -8.834 2.894 1.00 1.55 N ATOM 426 CA ILE A 25 -9.066 -7.758 3.185 1.00 1.48 C ATOM 427 C ILE A 25 -8.801 -7.735 4.711 1.00 1.49 C ATOM 428 O ILE A 25 -9.343 -6.892 5.434 1.00 1.50 O ATOM 429 CB ILE A 25 -9.562 -6.392 2.634 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.118 -6.471 1.191 1.00 1.46 C ATOM 431 CG2 ILE A 25 -8.383 -5.400 2.683 1.00 1.37 C ATOM 432 CD1 ILE A 25 -10.699 -5.149 0.672 1.00 1.45 C ATOM 0 H ILE A 25 -10.860 -8.768 3.485 1.00 1.55 H new ATOM 0 HA ILE A 25 -8.122 -7.951 2.675 1.00 1.48 H new ATOM 0 HB ILE A 25 -10.392 -6.064 3.259 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.320 -6.792 0.522 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -10.893 -7.236 1.153 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -8.706 -4.432 2.301 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.044 -5.289 3.713 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -7.564 -5.777 2.070 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -11.067 -5.288 -0.345 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -11.520 -4.835 1.316 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -9.922 -4.384 0.675 1.00 1.45 H new ATOM 444 N PRO A 26 -8.101 -8.763 5.212 1.00 1.53 N ATOM 445 CA PRO A 26 -7.903 -8.985 6.656 1.00 1.57 C ATOM 446 C PRO A 26 -7.165 -7.896 7.423 1.00 1.52 C ATOM 447 O PRO A 26 -7.777 -7.168 8.208 1.00 1.50 O ATOM 448 CB PRO A 26 -7.142 -10.320 6.709 1.00 1.62 C ATOM 449 CG PRO A 26 -6.484 -10.440 5.381 1.00 1.59 C ATOM 450 CD PRO A 26 -7.407 -9.777 4.401 1.00 1.55 C ATOM 0 HA PRO A 26 -8.869 -8.982 7.160 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -6.408 -10.324 7.515 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -7.820 -11.154 6.891 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -5.507 -9.957 5.385 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -6.322 -11.486 5.119 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -6.857 -9.323 3.576 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -8.107 -10.489 3.964 1.00 1.55 H new ATOM 458 N TYR A 27 -5.866 -7.775 7.201 1.00 1.52 N ATOM 459 CA TYR A 27 -5.064 -6.830 7.955 1.00 1.49 C ATOM 460 C TYR A 27 -4.366 -5.785 7.098 1.00 1.38 C ATOM 461 O TYR A 27 -4.693 -5.559 5.935 1.00 1.34 O ATOM 462 CB TYR A 27 -3.980 -7.618 8.699 1.00 1.61 C ATOM 463 CG TYR A 27 -4.489 -8.696 9.624 1.00 1.65 C ATOM 464 CD1 TYR A 27 -4.828 -8.395 10.933 1.00 1.91 C ATOM 465 CD2 TYR A 27 -4.608 -10.017 9.201 1.00 1.76 C ATOM 466 CE1 TYR A 27 -5.269 -9.376 11.799 1.00 2.21 C ATOM 467 CE2 TYR A 27 -5.054 -11.005 10.059 1.00 2.09 C ATOM 468 CZ TYR A 27 -5.382 -10.679 11.358 1.00 2.29 C ATOM 469 OH TYR A 27 -5.816 -11.659 12.222 1.00 2.75 O ATOM 0 H TYR A 27 -5.349 -8.317 6.509 1.00 1.52 H new ATOM 0 HA TYR A 27 -5.745 -6.298 8.619 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -3.317 -8.075 7.964 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -3.378 -6.918 9.279 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -4.746 -7.376 11.282 1.00 1.91 H new ATOM 0 HD2 TYR A 27 -4.347 -10.274 8.185 1.00 1.76 H new ATOM 0 HE1 TYR A 27 -5.525 -9.125 12.818 1.00 2.21 H new ATOM 0 HE2 TYR A 27 -5.145 -12.025 9.714 1.00 2.09 H new ATOM 0 HH TYR A 27 -5.840 -12.520 11.754 1.00 2.75 H new ATOM 479 N LEU A 28 -3.408 -5.158 7.764 1.00 1.39 N ATOM 480 CA LEU A 28 -2.503 -4.156 7.239 1.00 1.35 C ATOM 481 C LEU A 28 -1.136 -4.828 7.313 1.00 1.35 C ATOM 482 O LEU A 28 -1.018 -5.834 8.018 1.00 1.38 O ATOM 483 CB LEU A 28 -2.570 -2.889 8.116 1.00 1.42 C ATOM 484 CG LEU A 28 -1.906 -1.618 7.587 1.00 1.37 C ATOM 485 CD1 LEU A 28 -2.775 -0.412 7.916 1.00 1.58 C ATOM 486 CD2 LEU A 28 -0.516 -1.448 8.190 1.00 1.77 C ATOM 0 H LEU A 28 -3.234 -5.351 8.750 1.00 1.39 H new ATOM 0 HA LEU A 28 -2.739 -3.834 6.225 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -3.621 -2.665 8.301 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -2.120 -3.125 9.080 1.00 1.42 H new ATOM 0 HG LEU A 28 -1.800 -1.699 6.505 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -2.300 0.493 7.538 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -3.753 -0.530 7.450 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -2.895 -0.334 8.997 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -0.060 -0.538 7.801 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -0.596 -1.379 9.275 1.00 1.77 H new ATOM 0 HD23 LEU A 28 0.103 -2.306 7.926 1.00 1.77 H new ATOM 498 N GLY A 29 -0.133 -4.340 6.601 1.00 1.36 N ATOM 499 CA GLY A 29 1.164 -5.008 6.641 1.00 1.41 C ATOM 500 C GLY A 29 1.645 -5.342 8.052 1.00 1.47 C ATOM 501 O GLY A 29 1.994 -6.493 8.322 1.00 1.53 O ATOM 0 H GLY A 29 -0.183 -3.513 6.007 1.00 1.36 H new ATOM 0 HA2 GLY A 29 1.106 -5.929 6.060 1.00 1.41 H new ATOM 0 HA3 GLY A 29 1.905 -4.372 6.156 1.00 1.41 H new ATOM 505 N PHE A 30 1.691 -4.349 8.944 1.00 1.52 N ATOM 506 CA PHE A 30 2.102 -4.598 10.329 1.00 1.61 C ATOM 507 C PHE A 30 0.916 -4.590 11.323 1.00 1.61 C ATOM 508 O PHE A 30 0.928 -5.319 12.314 1.00 1.66 O ATOM 509 CB PHE A 30 3.219 -3.622 10.747 1.00 1.76 C ATOM 510 CG PHE A 30 2.784 -2.418 11.542 1.00 1.83 C ATOM 511 CD1 PHE A 30 2.019 -1.417 10.962 1.00 2.34 C ATOM 512 CD2 PHE A 30 3.165 -2.279 12.869 1.00 2.24 C ATOM 513 CE1 PHE A 30 1.642 -0.304 11.691 1.00 2.75 C ATOM 514 CE2 PHE A 30 2.788 -1.170 13.601 1.00 2.87 C ATOM 515 CZ PHE A 30 2.026 -0.180 13.009 1.00 2.93 C ATOM 0 H PHE A 30 1.453 -3.379 8.737 1.00 1.52 H new ATOM 0 HA PHE A 30 2.505 -5.610 10.368 1.00 1.61 H new ATOM 0 HB2 PHE A 30 3.954 -4.173 11.333 1.00 1.76 H new ATOM 0 HB3 PHE A 30 3.725 -3.274 9.847 1.00 1.76 H new ATOM 0 HD1 PHE A 30 1.714 -1.508 9.930 1.00 2.34 H new ATOM 0 HD2 PHE A 30 3.764 -3.047 13.335 1.00 2.24 H new ATOM 0 HE1 PHE A 30 1.046 0.468 11.227 1.00 2.75 H new ATOM 0 HE2 PHE A 30 3.088 -1.076 14.634 1.00 2.87 H new ATOM 0 HZ PHE A 30 1.732 0.689 13.578 1.00 2.93 H new ATOM 525 N LYS A 31 -0.105 -3.767 11.043 1.00 1.61 N ATOM 526 CA LYS A 31 -1.269 -3.610 11.944 1.00 1.66 C ATOM 527 C LYS A 31 -2.599 -4.058 11.307 1.00 1.60 C ATOM 528 O LYS A 31 -2.612 -4.751 10.300 1.00 1.53 O ATOM 529 CB LYS A 31 -1.384 -2.139 12.370 1.00 1.73 C ATOM 530 CG LYS A 31 -1.847 -1.942 13.815 1.00 1.80 C ATOM 531 CD LYS A 31 -2.093 -0.476 14.133 1.00 2.09 C ATOM 532 CE LYS A 31 -2.637 -0.293 15.543 1.00 2.48 C ATOM 533 NZ LYS A 31 -4.010 -0.847 15.677 1.00 3.02 N ATOM 0 H LYS A 31 -0.153 -3.196 10.199 1.00 1.61 H new ATOM 0 HA LYS A 31 -1.094 -4.258 12.803 1.00 1.66 H new ATOM 0 HB2 LYS A 31 -0.414 -1.658 12.242 1.00 1.73 H new ATOM 0 HB3 LYS A 31 -2.082 -1.632 11.704 1.00 1.73 H new ATOM 0 HG2 LYS A 31 -2.762 -2.509 13.984 1.00 1.80 H new ATOM 0 HG3 LYS A 31 -1.095 -2.340 14.496 1.00 1.80 H new ATOM 0 HD2 LYS A 31 -1.162 0.081 14.026 1.00 2.09 H new ATOM 0 HD3 LYS A 31 -2.798 -0.060 13.413 1.00 2.09 H new ATOM 0 HE2 LYS A 31 -1.975 -0.785 16.256 1.00 2.48 H new ATOM 0 HE3 LYS A 31 -2.646 0.767 15.795 1.00 2.48 H new ATOM 0 HZ1 LYS A 31 -4.426 -0.530 16.576 1.00 3.02 H new ATOM 0 HZ2 LYS A 31 -4.598 -0.513 14.887 1.00 3.02 H new ATOM 0 HZ3 LYS A 31 -3.968 -1.886 15.662 1.00 3.02 H new ATOM 547 N GLN A 32 -3.713 -3.734 11.989 1.00 1.67 N ATOM 548 CA GLN A 32 -5.074 -4.028 11.509 1.00 1.66 C ATOM 549 C GLN A 32 -5.414 -3.108 10.333 1.00 1.58 C ATOM 550 O GLN A 32 -4.672 -2.172 10.050 1.00 1.55 O ATOM 551 CB GLN A 32 -6.102 -3.828 12.630 1.00 1.78 C ATOM 552 CG GLN A 32 -6.901 -5.073 12.985 1.00 1.93 C ATOM 553 CD GLN A 32 -7.974 -5.416 11.961 1.00 2.33 C ATOM 554 OE1 GLN A 32 -7.715 -6.125 10.990 1.00 2.95 O ATOM 555 NE2 GLN A 32 -9.190 -4.922 12.180 1.00 2.75 N ATOM 0 H GLN A 32 -3.693 -3.259 12.892 1.00 1.67 H new ATOM 0 HA GLN A 32 -5.110 -5.069 11.186 1.00 1.66 H new ATOM 0 HB2 GLN A 32 -5.583 -3.478 13.523 1.00 1.78 H new ATOM 0 HB3 GLN A 32 -6.794 -3.040 12.334 1.00 1.78 H new ATOM 0 HG2 GLN A 32 -6.219 -5.918 13.082 1.00 1.93 H new ATOM 0 HG3 GLN A 32 -7.371 -4.929 13.958 1.00 1.93 H new ATOM 0 HE21 GLN A 32 -9.363 -4.338 12.998 1.00 2.75 H new ATOM 0 HE22 GLN A 32 -9.949 -5.128 11.530 1.00 2.75 H new ATOM 564 N ILE A 33 -6.546 -3.351 9.671 1.00 1.56 N ATOM 565 CA ILE A 33 -6.943 -2.553 8.508 1.00 1.51 C ATOM 566 C ILE A 33 -7.017 -1.043 8.818 1.00 1.50 C ATOM 567 O ILE A 33 -6.379 -0.262 8.118 1.00 1.47 O ATOM 568 CB ILE A 33 -8.304 -3.064 7.941 1.00 1.53 C ATOM 569 CG1 ILE A 33 -8.085 -3.962 6.716 1.00 1.90 C ATOM 570 CG2 ILE A 33 -9.261 -1.929 7.594 1.00 2.04 C ATOM 571 CD1 ILE A 33 -7.318 -3.300 5.583 1.00 2.36 C ATOM 0 H ILE A 33 -7.203 -4.091 9.918 1.00 1.56 H new ATOM 0 HA ILE A 33 -6.167 -2.680 7.753 1.00 1.51 H new ATOM 0 HB ILE A 33 -8.768 -3.648 8.736 1.00 1.53 H new ATOM 0 HG12 ILE A 33 -7.548 -4.857 7.028 1.00 1.90 H new ATOM 0 HG13 ILE A 33 -9.055 -4.287 6.341 1.00 1.90 H new ATOM 0 HG21 ILE A 33 -10.191 -2.343 7.204 1.00 2.04 H new ATOM 0 HG22 ILE A 33 -9.471 -1.344 8.489 1.00 2.04 H new ATOM 0 HG23 ILE A 33 -8.806 -1.287 6.840 1.00 2.04 H new ATOM 0 HD11 ILE A 33 -7.208 -4.004 4.758 1.00 2.36 H new ATOM 0 HD12 ILE A 33 -7.863 -2.421 5.240 1.00 2.36 H new ATOM 0 HD13 ILE A 33 -6.332 -3.000 5.938 1.00 2.36 H new ATOM 583 N ASN A 34 -7.726 -0.662 9.899 1.00 1.56 N ATOM 584 CA ASN A 34 -7.906 0.753 10.307 1.00 1.58 C ATOM 585 C ASN A 34 -7.944 1.710 9.101 1.00 1.57 C ATOM 586 O ASN A 34 -6.974 2.415 8.811 1.00 1.91 O ATOM 587 CB ASN A 34 -6.817 1.171 11.306 1.00 1.60 C ATOM 588 CG ASN A 34 -6.946 0.437 12.630 1.00 1.73 C ATOM 589 OD1 ASN A 34 -7.712 0.841 13.508 1.00 2.14 O ATOM 590 ND2 ASN A 34 -6.188 -0.643 12.788 1.00 2.10 N ATOM 0 H ASN A 34 -8.193 -1.325 10.518 1.00 1.56 H new ATOM 0 HA ASN A 34 -8.876 0.825 10.798 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -5.835 0.973 10.876 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -6.878 2.245 11.480 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -6.227 -1.170 13.660 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -5.567 -0.945 12.037 1.00 2.10 H new ATOM 597 N LEU A 35 -9.082 1.715 8.405 1.00 1.38 N ATOM 598 CA LEU A 35 -9.280 2.533 7.203 1.00 1.34 C ATOM 599 C LEU A 35 -9.268 4.036 7.478 1.00 1.32 C ATOM 600 O LEU A 35 -8.440 4.758 6.928 1.00 1.28 O ATOM 601 CB LEU A 35 -10.604 2.147 6.535 1.00 1.40 C ATOM 602 CG LEU A 35 -10.837 2.707 5.123 1.00 1.43 C ATOM 603 CD1 LEU A 35 -11.412 4.117 5.176 1.00 1.47 C ATOM 604 CD2 LEU A 35 -9.544 2.694 4.325 1.00 1.52 C ATOM 0 H LEU A 35 -9.894 1.152 8.657 1.00 1.38 H new ATOM 0 HA LEU A 35 -8.436 2.329 6.544 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -10.660 1.060 6.486 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -11.421 2.480 7.175 1.00 1.40 H new ATOM 0 HG LEU A 35 -11.564 2.065 4.625 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -11.566 4.486 4.162 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -12.365 4.102 5.705 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -10.717 4.774 5.699 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -9.728 3.094 3.328 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -8.798 3.308 4.830 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -9.177 1.671 4.244 1.00 1.52 H new ATOM 616 N TRP A 36 -10.225 4.506 8.277 1.00 1.37 N ATOM 617 CA TRP A 36 -10.338 5.946 8.598 1.00 1.37 C ATOM 618 C TRP A 36 -8.986 6.575 9.006 1.00 1.32 C ATOM 619 O TRP A 36 -8.749 7.755 8.753 1.00 1.31 O ATOM 620 CB TRP A 36 -11.393 6.203 9.688 1.00 1.45 C ATOM 621 CG TRP A 36 -11.311 5.258 10.839 1.00 1.50 C ATOM 622 CD1 TRP A 36 -11.778 3.978 10.873 1.00 1.55 C ATOM 623 CD2 TRP A 36 -10.738 5.514 12.126 1.00 1.53 C ATOM 624 NE1 TRP A 36 -11.503 3.409 12.089 1.00 1.61 N ATOM 625 CE2 TRP A 36 -10.869 4.332 12.878 1.00 1.60 C ATOM 626 CE3 TRP A 36 -10.116 6.622 12.713 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -10.403 4.227 14.184 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -9.655 6.516 14.011 1.00 1.61 C ATOM 629 CH2 TRP A 36 -9.798 5.324 14.734 1.00 1.66 C ATOM 0 H TRP A 36 -10.935 3.921 8.717 1.00 1.37 H new ATOM 0 HA TRP A 36 -10.661 6.432 7.678 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -11.279 7.222 10.058 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -12.386 6.134 9.243 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -12.290 3.484 10.060 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -11.733 2.454 12.362 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -9.999 7.543 12.161 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -10.515 3.311 14.745 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -9.177 7.365 14.476 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -9.423 5.270 15.745 1.00 1.66 H new ATOM 640 N THR A 37 -8.117 5.781 9.643 1.00 1.32 N ATOM 641 CA THR A 37 -6.775 6.224 10.070 1.00 1.29 C ATOM 642 C THR A 37 -5.797 6.341 8.898 1.00 1.23 C ATOM 643 O THR A 37 -5.173 7.390 8.751 1.00 1.21 O ATOM 644 CB THR A 37 -6.186 5.291 11.142 1.00 1.34 C ATOM 645 OG1 THR A 37 -7.024 5.271 12.277 1.00 1.41 O ATOM 646 CG2 THR A 37 -4.813 5.740 11.646 1.00 1.35 C ATOM 0 H THR A 37 -8.321 4.810 9.880 1.00 1.32 H new ATOM 0 HA THR A 37 -6.910 7.217 10.498 1.00 1.29 H new ATOM 0 HB THR A 37 -6.099 4.317 10.661 1.00 1.34 H new ATOM 0 HG1 THR A 37 -7.817 5.821 12.108 1.00 1.41 H new ATOM 0 HG21 THR A 37 -4.455 5.039 12.400 1.00 1.35 H new ATOM 0 HG22 THR A 37 -4.111 5.767 10.813 1.00 1.35 H new ATOM 0 HG23 THR A 37 -4.894 6.734 12.085 1.00 1.35 H new ATOM 654 N MET A 38 -5.669 5.330 8.024 1.00 1.20 N ATOM 655 CA MET A 38 -4.826 5.475 6.817 1.00 1.15 C ATOM 656 C MET A 38 -5.352 6.568 5.868 1.00 1.13 C ATOM 657 O MET A 38 -4.564 7.239 5.206 1.00 1.11 O ATOM 658 CB MET A 38 -4.601 4.146 6.075 1.00 1.14 C ATOM 659 CG MET A 38 -5.871 3.454 5.577 1.00 1.17 C ATOM 660 SD MET A 38 -5.618 2.349 4.162 1.00 1.17 S ATOM 661 CE MET A 38 -6.275 0.785 4.797 1.00 1.25 C ATOM 0 H MET A 38 -6.124 4.423 8.122 1.00 1.20 H new ATOM 0 HA MET A 38 -3.849 5.797 7.178 1.00 1.15 H new ATOM 0 HB2 MET A 38 -3.949 4.331 5.221 1.00 1.14 H new ATOM 0 HB3 MET A 38 -4.071 3.463 6.739 1.00 1.14 H new ATOM 0 HG2 MET A 38 -6.303 2.881 6.397 1.00 1.17 H new ATOM 0 HG3 MET A 38 -6.601 4.215 5.302 1.00 1.17 H new ATOM 0 HE1 MET A 38 -6.349 0.064 3.983 1.00 1.25 H new ATOM 0 HE2 MET A 38 -5.608 0.396 5.567 1.00 1.25 H new ATOM 0 HE3 MET A 38 -7.264 0.952 5.224 1.00 1.25 H new ATOM 671 N PHE A 39 -6.673 6.789 5.860 1.00 1.17 N ATOM 672 CA PHE A 39 -7.280 7.905 5.141 1.00 1.19 C ATOM 673 C PHE A 39 -6.847 9.260 5.699 1.00 1.20 C ATOM 674 O PHE A 39 -6.216 10.027 4.974 1.00 1.20 O ATOM 675 CB PHE A 39 -8.804 7.777 5.122 1.00 1.25 C ATOM 676 CG PHE A 39 -9.471 8.945 4.414 1.00 1.30 C ATOM 677 CD1 PHE A 39 -9.270 9.135 3.033 1.00 1.30 C ATOM 678 CD2 PHE A 39 -10.250 9.868 5.140 1.00 1.36 C ATOM 679 CE1 PHE A 39 -9.856 10.229 2.375 1.00 1.37 C ATOM 680 CE2 PHE A 39 -10.825 10.971 4.484 1.00 1.43 C ATOM 681 CZ PHE A 39 -10.624 11.154 3.103 1.00 1.44 C ATOM 0 H PHE A 39 -7.345 6.199 6.351 1.00 1.17 H new ATOM 0 HA PHE A 39 -6.919 7.858 4.114 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -9.082 6.847 4.626 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -9.174 7.716 6.145 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -8.662 8.436 2.477 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -10.405 9.728 6.200 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -9.717 10.359 1.312 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -11.422 11.679 5.041 1.00 1.43 H new ATOM 0 HZ PHE A 39 -11.060 12.006 2.602 1.00 1.44 H new ATOM 691 N GLN A 40 -7.112 9.569 6.977 1.00 1.24 N ATOM 692 CA GLN A 40 -6.697 10.875 7.522 1.00 1.27 C ATOM 693 C GLN A 40 -5.165 11.064 7.518 1.00 1.25 C ATOM 694 O GLN A 40 -4.692 12.189 7.352 1.00 1.28 O ATOM 695 CB GLN A 40 -7.327 11.111 8.908 1.00 1.33 C ATOM 696 CG GLN A 40 -6.689 10.266 10.018 1.00 1.33 C ATOM 697 CD GLN A 40 -7.563 10.190 11.264 1.00 1.39 C ATOM 698 OE1 GLN A 40 -7.355 10.873 12.257 1.00 1.44 O ATOM 699 NE2 GLN A 40 -8.566 9.340 11.255 1.00 1.40 N ATOM 0 H GLN A 40 -7.595 8.958 7.635 1.00 1.24 H new ATOM 0 HA GLN A 40 -7.079 11.647 6.854 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -7.235 12.166 9.166 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -8.393 10.887 8.858 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -6.505 9.259 9.644 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -5.720 10.690 10.282 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -8.743 8.769 10.429 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -9.167 9.252 12.074 1.00 1.40 H new ATOM 708 N ALA A 41 -4.388 9.978 7.609 1.00 1.21 N ATOM 709 CA ALA A 41 -2.944 10.004 7.391 1.00 1.20 C ATOM 710 C ALA A 41 -2.592 10.415 5.953 1.00 1.18 C ATOM 711 O ALA A 41 -1.862 11.386 5.759 1.00 1.21 O ATOM 712 CB ALA A 41 -2.353 8.637 7.749 1.00 1.18 C ATOM 0 H ALA A 41 -4.750 9.052 7.838 1.00 1.21 H new ATOM 0 HA ALA A 41 -2.504 10.760 8.041 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -1.275 8.653 7.587 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -2.560 8.414 8.796 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -2.803 7.870 7.119 1.00 1.18 H new ATOM 718 N ALA A 42 -3.159 9.760 4.936 1.00 1.14 N ATOM 719 CA ALA A 42 -2.973 10.146 3.537 1.00 1.14 C ATOM 720 C ALA A 42 -3.397 11.598 3.264 1.00 1.20 C ATOM 721 O ALA A 42 -2.703 12.306 2.545 1.00 1.23 O ATOM 722 CB ALA A 42 -3.727 9.164 2.631 1.00 1.11 C ATOM 0 H ALA A 42 -3.761 8.946 5.061 1.00 1.14 H new ATOM 0 HA ALA A 42 -1.907 10.097 3.313 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -3.589 9.451 1.589 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -3.340 8.157 2.784 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -4.789 9.185 2.875 1.00 1.11 H new ATOM 728 N GLN A 43 -4.480 12.070 3.889 1.00 1.23 N ATOM 729 CA GLN A 43 -4.954 13.449 3.717 1.00 1.31 C ATOM 730 C GLN A 43 -4.007 14.482 4.362 1.00 1.35 C ATOM 731 O GLN A 43 -3.941 15.623 3.902 1.00 1.42 O ATOM 732 CB GLN A 43 -6.391 13.601 4.245 1.00 1.35 C ATOM 733 CG GLN A 43 -7.438 12.799 3.445 1.00 1.35 C ATOM 734 CD GLN A 43 -7.463 13.121 1.949 1.00 1.38 C ATOM 735 OE1 GLN A 43 -7.494 14.269 1.525 1.00 1.45 O ATOM 736 NE2 GLN A 43 -7.431 12.126 1.086 1.00 1.35 N ATOM 0 H GLN A 43 -5.050 11.512 4.525 1.00 1.23 H new ATOM 0 HA GLN A 43 -4.957 13.657 2.647 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -6.421 13.281 5.287 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -6.665 14.656 4.227 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -7.240 11.735 3.573 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -8.426 12.992 3.864 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -7.405 11.162 1.419 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -7.432 12.319 0.084 1.00 1.35 H new ATOM 745 N LYS A 44 -3.221 14.063 5.366 1.00 1.33 N ATOM 746 CA LYS A 44 -2.150 14.900 5.932 1.00 1.39 C ATOM 747 C LYS A 44 -0.909 14.875 5.039 1.00 1.39 C ATOM 748 O LYS A 44 -0.376 15.929 4.693 1.00 1.45 O ATOM 749 CB LYS A 44 -1.850 14.415 7.361 1.00 1.39 C ATOM 750 CG LYS A 44 -0.930 15.378 8.124 1.00 1.47 C ATOM 751 CD LYS A 44 -0.528 14.843 9.505 1.00 1.49 C ATOM 752 CE LYS A 44 -1.742 14.506 10.384 1.00 1.49 C ATOM 753 NZ LYS A 44 -1.319 14.152 11.762 1.00 1.53 N ATOM 0 H LYS A 44 -3.307 13.146 5.804 1.00 1.33 H new ATOM 0 HA LYS A 44 -2.473 15.940 5.978 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -2.786 14.302 7.907 1.00 1.39 H new ATOM 0 HB3 LYS A 44 -1.385 13.430 7.318 1.00 1.39 H new ATOM 0 HG2 LYS A 44 -0.032 15.560 7.534 1.00 1.47 H new ATOM 0 HG3 LYS A 44 -1.433 16.337 8.243 1.00 1.47 H new ATOM 0 HD2 LYS A 44 0.085 13.950 9.380 1.00 1.49 H new ATOM 0 HD3 LYS A 44 0.089 15.585 10.013 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -2.420 15.359 10.416 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -2.294 13.675 9.945 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -2.157 13.929 12.336 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 -0.690 13.324 11.730 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 -0.813 14.955 12.187 1.00 1.53 H new ATOM 767 N LEU A 45 -0.518 13.675 4.603 1.00 1.32 N ATOM 768 CA LEU A 45 0.565 13.497 3.627 1.00 1.32 C ATOM 769 C LEU A 45 0.190 13.908 2.165 1.00 1.34 C ATOM 770 O LEU A 45 0.952 13.611 1.240 1.00 1.34 O ATOM 771 CB LEU A 45 1.151 12.059 3.769 1.00 1.27 C ATOM 772 CG LEU A 45 2.011 11.702 5.020 1.00 1.30 C ATOM 773 CD1 LEU A 45 3.046 12.783 5.341 1.00 1.39 C ATOM 774 CD2 LEU A 45 1.212 11.434 6.293 1.00 1.29 C ATOM 0 H LEU A 45 -0.941 12.800 4.914 1.00 1.32 H new ATOM 0 HA LEU A 45 1.358 14.207 3.863 1.00 1.32 H new ATOM 0 HB2 LEU A 45 0.315 11.361 3.737 1.00 1.27 H new ATOM 0 HB3 LEU A 45 1.761 11.866 2.887 1.00 1.27 H new ATOM 0 HG LEU A 45 2.499 10.773 4.725 1.00 1.30 H new ATOM 0 HD11 LEU A 45 3.619 12.488 6.220 1.00 1.39 H new ATOM 0 HD12 LEU A 45 3.719 12.905 4.493 1.00 1.39 H new ATOM 0 HD13 LEU A 45 2.537 13.726 5.540 1.00 1.39 H new ATOM 0 HD21 LEU A 45 1.895 11.194 7.108 1.00 1.29 H new ATOM 0 HD22 LEU A 45 0.634 12.321 6.553 1.00 1.29 H new ATOM 0 HD23 LEU A 45 0.536 10.595 6.128 1.00 1.29 H new ATOM 786 N GLY A 46 -0.935 14.617 1.946 1.00 1.36 N ATOM 787 CA GLY A 46 -1.206 15.274 0.638 1.00 1.42 C ATOM 788 C GLY A 46 -2.225 14.597 -0.301 1.00 1.40 C ATOM 789 O GLY A 46 -2.184 14.782 -1.521 1.00 1.44 O ATOM 0 H GLY A 46 -1.666 14.752 2.644 1.00 1.36 H new ATOM 0 HA2 GLY A 46 -1.553 16.288 0.836 1.00 1.42 H new ATOM 0 HA3 GLY A 46 -0.261 15.360 0.102 1.00 1.42 H new ATOM 793 N GLY A 47 -3.129 13.819 0.291 1.00 1.34 N ATOM 794 CA GLY A 47 -4.035 12.932 -0.433 1.00 1.32 C ATOM 795 C GLY A 47 -3.323 11.861 -1.264 1.00 1.28 C ATOM 796 O GLY A 47 -2.101 11.872 -1.441 1.00 1.27 O ATOM 0 H GLY A 47 -3.254 13.787 1.303 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -4.697 12.443 0.282 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -4.664 13.531 -1.092 1.00 1.32 H new ATOM 800 N TYR A 48 -4.115 10.950 -1.832 1.00 1.27 N ATOM 801 CA TYR A 48 -3.612 9.973 -2.810 1.00 1.26 C ATOM 802 C TYR A 48 -2.846 10.612 -3.990 1.00 1.32 C ATOM 803 O TYR A 48 -2.022 9.954 -4.627 1.00 1.31 O ATOM 804 CB TYR A 48 -4.785 9.124 -3.309 1.00 1.28 C ATOM 805 CG TYR A 48 -4.376 7.849 -4.027 1.00 1.26 C ATOM 806 CD1 TYR A 48 -4.012 6.712 -3.279 1.00 1.20 C ATOM 807 CD2 TYR A 48 -4.370 7.794 -5.434 1.00 1.33 C ATOM 808 CE1 TYR A 48 -3.676 5.511 -3.931 1.00 1.21 C ATOM 809 CE2 TYR A 48 -4.016 6.600 -6.091 1.00 1.33 C ATOM 810 CZ TYR A 48 -3.681 5.454 -5.341 1.00 1.27 C ATOM 811 OH TYR A 48 -3.367 4.298 -5.986 1.00 1.29 O ATOM 0 H TYR A 48 -5.112 10.865 -1.633 1.00 1.27 H new ATOM 0 HA TYR A 48 -2.879 9.346 -2.302 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -5.415 8.862 -2.459 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -5.393 9.727 -3.983 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -3.991 6.762 -2.200 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -4.637 8.668 -6.009 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -3.415 4.636 -3.354 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -4.001 6.562 -7.170 1.00 1.33 H new ATOM 0 HH TYR A 48 -3.422 4.438 -6.954 1.00 1.29 H new ATOM 821 N GLU A 49 -3.069 11.900 -4.277 1.00 1.39 N ATOM 822 CA GLU A 49 -2.439 12.565 -5.429 1.00 1.47 C ATOM 823 C GLU A 49 -0.973 12.931 -5.169 1.00 1.46 C ATOM 824 O GLU A 49 -0.110 12.587 -5.982 1.00 1.48 O ATOM 825 CB GLU A 49 -3.251 13.805 -5.821 1.00 1.57 C ATOM 826 CG GLU A 49 -4.536 13.391 -6.549 1.00 1.61 C ATOM 827 CD GLU A 49 -5.478 14.585 -6.752 1.00 1.71 C ATOM 828 OE1 GLU A 49 -5.191 15.470 -7.596 1.00 1.80 O ATOM 829 OE2 GLU A 49 -6.531 14.623 -6.072 1.00 1.72 O ATOM 0 H GLU A 49 -3.681 12.504 -3.729 1.00 1.39 H new ATOM 0 HA GLU A 49 -2.437 11.857 -6.257 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -3.499 14.382 -4.930 1.00 1.57 H new ATOM 0 HB3 GLU A 49 -2.653 14.452 -6.463 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -4.283 12.957 -7.517 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -5.047 12.617 -5.976 1.00 1.61 H new ATOM 836 N THR A 50 -0.648 13.542 -4.022 1.00 1.44 N ATOM 837 CA THR A 50 0.753 13.727 -3.606 1.00 1.45 C ATOM 838 C THR A 50 1.414 12.373 -3.358 1.00 1.37 C ATOM 839 O THR A 50 2.568 12.171 -3.735 1.00 1.40 O ATOM 840 CB THR A 50 0.890 14.606 -2.354 1.00 1.46 C ATOM 841 OG1 THR A 50 0.271 15.857 -2.571 1.00 1.54 O ATOM 842 CG2 THR A 50 2.345 14.907 -1.990 1.00 1.50 C ATOM 0 H THR A 50 -1.333 13.917 -3.365 1.00 1.44 H new ATOM 0 HA THR A 50 1.257 14.244 -4.423 1.00 1.45 H new ATOM 0 HB THR A 50 0.422 14.043 -1.547 1.00 1.46 H new ATOM 0 HG1 THR A 50 -0.666 15.812 -2.288 1.00 1.54 H new ATOM 0 HG21 THR A 50 2.375 15.532 -1.097 1.00 1.50 H new ATOM 0 HG22 THR A 50 2.873 13.973 -1.797 1.00 1.50 H new ATOM 0 HG23 THR A 50 2.826 15.431 -2.816 1.00 1.50 H new ATOM 850 N ILE A 51 0.667 11.410 -2.806 1.00 1.30 N ATOM 851 CA ILE A 51 1.146 10.030 -2.646 1.00 1.24 C ATOM 852 C ILE A 51 1.594 9.412 -3.981 1.00 1.27 C ATOM 853 O ILE A 51 2.670 8.824 -4.046 1.00 1.27 O ATOM 854 CB ILE A 51 0.062 9.206 -1.900 1.00 1.18 C ATOM 855 CG1 ILE A 51 0.406 9.035 -0.410 1.00 1.14 C ATOM 856 CG2 ILE A 51 -0.223 7.828 -2.509 1.00 1.15 C ATOM 857 CD1 ILE A 51 0.258 10.335 0.394 1.00 1.17 C ATOM 0 H ILE A 51 -0.280 11.562 -2.459 1.00 1.30 H new ATOM 0 HA ILE A 51 2.048 10.022 -2.035 1.00 1.24 H new ATOM 0 HB ILE A 51 -0.847 9.798 -2.012 1.00 1.18 H new ATOM 0 HG12 ILE A 51 -0.242 8.272 0.021 1.00 1.14 H new ATOM 0 HG13 ILE A 51 1.430 8.673 -0.319 1.00 1.14 H new ATOM 0 HG21 ILE A 51 -0.992 7.324 -1.924 1.00 1.15 H new ATOM 0 HG22 ILE A 51 -0.569 7.948 -3.536 1.00 1.15 H new ATOM 0 HG23 ILE A 51 0.689 7.231 -2.501 1.00 1.15 H new ATOM 0 HD11 ILE A 51 0.515 10.149 1.437 1.00 1.17 H new ATOM 0 HD12 ILE A 51 0.926 11.093 -0.014 1.00 1.17 H new ATOM 0 HD13 ILE A 51 -0.772 10.687 0.331 1.00 1.17 H new ATOM 869 N THR A 52 0.813 9.575 -5.047 1.00 1.30 N ATOM 870 CA THR A 52 1.165 9.028 -6.372 1.00 1.35 C ATOM 871 C THR A 52 2.293 9.814 -7.034 1.00 1.42 C ATOM 872 O THR A 52 3.176 9.212 -7.651 1.00 1.45 O ATOM 873 CB THR A 52 -0.077 8.982 -7.273 1.00 1.39 C ATOM 874 OG1 THR A 52 -1.023 8.125 -6.672 1.00 1.34 O ATOM 875 CG2 THR A 52 0.194 8.398 -8.661 1.00 1.45 C ATOM 0 H THR A 52 -0.072 10.082 -5.027 1.00 1.30 H new ATOM 0 HA THR A 52 1.531 8.012 -6.226 1.00 1.35 H new ATOM 0 HB THR A 52 -0.416 10.012 -7.387 1.00 1.39 H new ATOM 0 HG1 THR A 52 -1.457 8.589 -5.926 1.00 1.34 H new ATOM 0 HG21 THR A 52 -0.728 8.397 -9.242 1.00 1.45 H new ATOM 0 HG22 THR A 52 0.943 9.004 -9.171 1.00 1.45 H new ATOM 0 HG23 THR A 52 0.561 7.376 -8.561 1.00 1.45 H new ATOM 883 N ALA A 53 2.326 11.136 -6.847 1.00 1.47 N ATOM 884 CA ALA A 53 3.412 11.974 -7.351 1.00 1.55 C ATOM 885 C ALA A 53 4.763 11.754 -6.628 1.00 1.54 C ATOM 886 O ALA A 53 5.804 12.068 -7.214 1.00 1.61 O ATOM 887 CB ALA A 53 2.967 13.438 -7.240 1.00 1.61 C ATOM 0 H ALA A 53 1.604 11.652 -6.344 1.00 1.47 H new ATOM 0 HA ALA A 53 3.600 11.694 -8.388 1.00 1.55 H new ATOM 0 HB1 ALA A 53 3.760 14.088 -7.610 1.00 1.61 H new ATOM 0 HB2 ALA A 53 2.066 13.590 -7.834 1.00 1.61 H new ATOM 0 HB3 ALA A 53 2.759 13.677 -6.197 1.00 1.61 H new ATOM 893 N ARG A 54 4.761 11.230 -5.386 1.00 1.47 N ATOM 894 CA ARG A 54 5.987 11.210 -4.546 1.00 1.49 C ATOM 895 C ARG A 54 6.328 9.874 -3.866 1.00 1.44 C ATOM 896 O ARG A 54 7.400 9.773 -3.270 1.00 1.48 O ATOM 897 CB ARG A 54 5.865 12.302 -3.460 1.00 1.51 C ATOM 898 CG ARG A 54 5.717 13.751 -3.963 1.00 1.59 C ATOM 899 CD ARG A 54 6.936 14.276 -4.738 1.00 1.68 C ATOM 900 NE ARG A 54 8.175 14.261 -3.929 1.00 1.72 N ATOM 901 CZ ARG A 54 8.554 15.142 -3.020 1.00 1.77 C ATOM 902 NH1 ARG A 54 7.839 16.190 -2.719 1.00 1.79 N ATOM 903 NH2 ARG A 54 9.681 14.986 -2.387 1.00 1.82 N ATOM 0 H ARG A 54 3.939 10.819 -4.942 1.00 1.47 H new ATOM 0 HA ARG A 54 6.806 11.389 -5.243 1.00 1.49 H new ATOM 0 HB2 ARG A 54 5.004 12.067 -2.834 1.00 1.51 H new ATOM 0 HB3 ARG A 54 6.747 12.250 -2.822 1.00 1.51 H new ATOM 0 HG2 ARG A 54 4.838 13.813 -4.605 1.00 1.59 H new ATOM 0 HG3 ARG A 54 5.535 14.403 -3.109 1.00 1.59 H new ATOM 0 HD2 ARG A 54 7.083 13.669 -5.631 1.00 1.68 H new ATOM 0 HD3 ARG A 54 6.738 15.294 -5.073 1.00 1.68 H new ATOM 0 HE ARG A 54 8.810 13.480 -4.092 1.00 1.72 H new ATOM 0 HH11 ARG A 54 6.950 16.354 -3.192 1.00 1.79 H new ATOM 0 HH12 ARG A 54 8.168 16.846 -2.011 1.00 1.79 H new ATOM 0 HH21 ARG A 54 10.274 14.182 -2.592 1.00 1.82 H new ATOM 0 HH22 ARG A 54 9.971 15.668 -1.686 1.00 1.82 H new ATOM 917 N ARG A 55 5.458 8.854 -3.942 1.00 1.37 N ATOM 918 CA ARG A 55 5.537 7.597 -3.153 1.00 1.32 C ATOM 919 C ARG A 55 5.679 7.922 -1.663 1.00 1.31 C ATOM 920 O ARG A 55 6.608 7.513 -0.967 1.00 1.35 O ATOM 921 CB ARG A 55 6.596 6.629 -3.735 1.00 1.37 C ATOM 922 CG ARG A 55 6.558 6.492 -5.274 1.00 1.40 C ATOM 923 CD ARG A 55 5.201 6.048 -5.852 1.00 1.35 C ATOM 924 NE ARG A 55 4.836 6.825 -7.055 1.00 1.40 N ATOM 925 CZ ARG A 55 5.228 6.635 -8.300 1.00 1.46 C ATOM 926 NH1 ARG A 55 6.030 5.668 -8.648 1.00 1.49 N ATOM 927 NH2 ARG A 55 4.808 7.447 -9.224 1.00 1.51 N ATOM 0 H ARG A 55 4.654 8.874 -4.570 1.00 1.37 H new ATOM 0 HA ARG A 55 4.604 7.039 -3.238 1.00 1.32 H new ATOM 0 HB2 ARG A 55 7.587 6.972 -3.437 1.00 1.37 H new ATOM 0 HB3 ARG A 55 6.453 5.644 -3.291 1.00 1.37 H new ATOM 0 HG2 ARG A 55 6.829 7.451 -5.716 1.00 1.40 H new ATOM 0 HG3 ARG A 55 7.319 5.774 -5.579 1.00 1.40 H new ATOM 0 HD2 ARG A 55 5.242 4.988 -6.103 1.00 1.35 H new ATOM 0 HD3 ARG A 55 4.427 6.167 -5.094 1.00 1.35 H new ATOM 0 HE ARG A 55 4.200 7.608 -6.903 1.00 1.40 H new ATOM 0 HH11 ARG A 55 6.382 5.019 -7.944 1.00 1.49 H new ATOM 0 HH12 ARG A 55 6.306 5.561 -9.624 1.00 1.49 H new ATOM 0 HH21 ARG A 55 4.185 8.217 -8.981 1.00 1.51 H new ATOM 0 HH22 ARG A 55 5.102 7.314 -10.192 1.00 1.51 H new ATOM 941 N GLN A 56 4.698 8.709 -1.210 1.00 1.28 N ATOM 942 CA GLN A 56 4.709 9.281 0.141 1.00 1.29 C ATOM 943 C GLN A 56 4.175 8.302 1.210 1.00 1.24 C ATOM 944 O GLN A 56 4.155 8.654 2.388 1.00 1.25 O ATOM 945 CB GLN A 56 3.950 10.623 0.156 1.00 1.30 C ATOM 946 CG GLN A 56 4.584 11.692 1.065 1.00 1.37 C ATOM 947 CD GLN A 56 5.673 12.501 0.357 1.00 1.46 C ATOM 948 OE1 GLN A 56 5.396 13.377 -0.449 1.00 1.49 O ATOM 949 NE2 GLN A 56 6.944 12.272 0.611 1.00 1.51 N ATOM 0 H GLN A 56 3.881 8.966 -1.763 1.00 1.28 H new ATOM 0 HA GLN A 56 5.748 9.469 0.410 1.00 1.29 H new ATOM 0 HB2 GLN A 56 3.898 11.011 -0.861 1.00 1.30 H new ATOM 0 HB3 GLN A 56 2.925 10.445 0.482 1.00 1.30 H new ATOM 0 HG2 GLN A 56 3.807 12.369 1.419 1.00 1.37 H new ATOM 0 HG3 GLN A 56 5.010 11.209 1.944 1.00 1.37 H new ATOM 0 HE21 GLN A 56 7.208 11.548 1.279 1.00 1.51 H new ATOM 0 HE22 GLN A 56 7.665 12.819 0.140 1.00 1.51 H new ATOM 958 N TRP A 57 3.783 7.068 0.847 1.00 1.19 N ATOM 959 CA TRP A 57 3.371 6.025 1.804 1.00 1.17 C ATOM 960 C TRP A 57 4.413 5.750 2.890 1.00 1.24 C ATOM 961 O TRP A 57 4.037 5.487 4.028 1.00 1.24 O ATOM 962 CB TRP A 57 2.999 4.716 1.096 1.00 1.15 C ATOM 963 CG TRP A 57 1.724 4.768 0.330 1.00 1.11 C ATOM 964 CD1 TRP A 57 1.603 4.963 -1.000 1.00 1.11 C ATOM 965 CD2 TRP A 57 0.370 4.627 0.851 1.00 1.07 C ATOM 966 NE1 TRP A 57 0.265 4.980 -1.331 1.00 1.09 N ATOM 967 CE2 TRP A 57 -0.544 4.794 -0.230 1.00 1.07 C ATOM 968 CE3 TRP A 57 -0.180 4.394 2.129 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -1.934 4.763 -0.047 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -1.569 4.344 2.324 1.00 1.06 C ATOM 971 CH2 TRP A 57 -2.441 4.534 1.241 1.00 1.06 C ATOM 0 H TRP A 57 3.743 6.764 -0.126 1.00 1.19 H new ATOM 0 HA TRP A 57 2.486 6.426 2.298 1.00 1.17 H new ATOM 0 HB2 TRP A 57 3.806 4.444 0.415 1.00 1.15 H new ATOM 0 HB3 TRP A 57 2.929 3.923 1.840 1.00 1.15 H new ATOM 0 HD1 TRP A 57 2.422 5.086 -1.693 1.00 1.11 H new ATOM 0 HE1 TRP A 57 -0.086 5.114 -2.279 1.00 1.09 H new ATOM 0 HE3 TRP A 57 0.479 4.252 2.972 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -2.602 4.913 -0.882 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -1.968 4.159 3.310 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -3.509 4.504 1.400 1.00 1.06 H new ATOM 982 N LYS A 58 5.643 6.040 2.553 1.00 1.32 N ATOM 983 CA LYS A 58 6.752 5.915 3.462 1.00 1.42 C ATOM 984 C LYS A 58 6.533 6.830 4.683 1.00 1.43 C ATOM 985 O LYS A 58 7.050 6.568 5.766 1.00 1.51 O ATOM 986 CB LYS A 58 8.025 6.277 2.704 1.00 1.54 C ATOM 987 CG LYS A 58 8.137 5.582 1.343 1.00 1.98 C ATOM 988 CD LYS A 58 7.645 4.135 1.382 1.00 2.07 C ATOM 989 CE LYS A 58 8.514 3.251 2.260 1.00 2.58 C ATOM 990 NZ LYS A 58 8.263 1.807 2.013 1.00 2.89 N ATOM 0 H LYS A 58 5.906 6.374 1.626 1.00 1.32 H new ATOM 0 HA LYS A 58 6.839 4.895 3.836 1.00 1.42 H new ATOM 0 HB2 LYS A 58 8.058 7.357 2.557 1.00 1.54 H new ATOM 0 HB3 LYS A 58 8.890 6.012 3.312 1.00 1.54 H new ATOM 0 HG2 LYS A 58 7.559 6.139 0.606 1.00 1.98 H new ATOM 0 HG3 LYS A 58 9.176 5.600 1.014 1.00 1.98 H new ATOM 0 HD2 LYS A 58 6.620 4.113 1.751 1.00 2.07 H new ATOM 0 HD3 LYS A 58 7.628 3.732 0.369 1.00 2.07 H new ATOM 0 HE2 LYS A 58 9.564 3.474 2.073 1.00 2.58 H new ATOM 0 HE3 LYS A 58 8.321 3.479 3.308 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 7.735 1.404 2.814 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 7.707 1.695 1.141 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 9.171 1.309 1.911 1.00 2.89 H new ATOM 1004 N HIS A 59 5.785 7.927 4.468 1.00 1.39 N ATOM 1005 CA HIS A 59 5.445 8.885 5.527 1.00 1.40 C ATOM 1006 C HIS A 59 4.308 8.365 6.429 1.00 1.32 C ATOM 1007 O HIS A 59 4.292 8.653 7.622 1.00 1.35 O ATOM 1008 CB HIS A 59 5.115 10.245 4.926 1.00 1.43 C ATOM 1009 CG HIS A 59 6.321 10.998 4.453 1.00 1.58 C ATOM 1010 ND1 HIS A 59 6.518 12.339 4.705 1.00 1.81 N ATOM 1011 CD2 HIS A 59 7.391 10.595 3.722 1.00 1.59 C ATOM 1012 CE1 HIS A 59 7.650 12.731 4.147 1.00 1.93 C ATOM 1013 NE2 HIS A 59 8.201 11.692 3.544 1.00 1.79 N ATOM 0 H HIS A 59 5.401 8.171 3.555 1.00 1.39 H new ATOM 0 HA HIS A 59 6.318 9.002 6.169 1.00 1.40 H new ATOM 0 HB2 HIS A 59 4.431 10.107 4.089 1.00 1.43 H new ATOM 0 HB3 HIS A 59 4.591 10.845 5.670 1.00 1.43 H new ATOM 0 HD2 HIS A 59 7.573 9.598 3.349 1.00 1.59 H new ATOM 0 HE1 HIS A 59 8.056 13.731 4.178 1.00 1.93 H new ATOM 0 HE2 HIS A 59 9.082 11.702 3.031 1.00 1.79 H new ATOM 1022 N ILE A 60 3.314 7.666 5.849 1.00 1.23 N ATOM 1023 CA ILE A 60 2.272 7.016 6.658 1.00 1.20 C ATOM 1024 C ILE A 60 2.976 6.015 7.569 1.00 1.27 C ATOM 1025 O ILE A 60 2.722 6.038 8.763 1.00 1.33 O ATOM 1026 CB ILE A 60 1.157 6.375 5.802 1.00 1.15 C ATOM 1027 CG1 ILE A 60 0.314 7.509 5.177 1.00 1.14 C ATOM 1028 CG2 ILE A 60 0.279 5.430 6.647 1.00 1.18 C ATOM 1029 CD1 ILE A 60 -0.702 7.036 4.135 1.00 1.14 C ATOM 0 H ILE A 60 3.213 7.539 4.842 1.00 1.23 H new ATOM 0 HA ILE A 60 1.743 7.758 7.256 1.00 1.20 H new ATOM 0 HB ILE A 60 1.602 5.769 5.013 1.00 1.15 H new ATOM 0 HG12 ILE A 60 -0.216 8.033 5.972 1.00 1.14 H new ATOM 0 HG13 ILE A 60 0.985 8.231 4.712 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -0.497 4.994 6.017 1.00 1.18 H new ATOM 0 HG22 ILE A 60 0.897 4.635 7.064 1.00 1.18 H new ATOM 0 HG23 ILE A 60 -0.185 5.992 7.457 1.00 1.18 H new ATOM 0 HD11 ILE A 60 -1.251 7.894 3.747 1.00 1.14 H new ATOM 0 HD12 ILE A 60 -0.180 6.539 3.317 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -1.400 6.338 4.598 1.00 1.14 H new ATOM 1041 N TYR A 61 3.943 5.240 7.062 1.00 1.31 N ATOM 1042 CA TYR A 61 4.848 4.411 7.873 1.00 1.43 C ATOM 1043 C TYR A 61 5.558 5.216 8.987 1.00 1.53 C ATOM 1044 O TYR A 61 5.803 4.695 10.077 1.00 1.64 O ATOM 1045 CB TYR A 61 5.852 3.722 6.937 1.00 1.46 C ATOM 1046 CG TYR A 61 6.979 2.961 7.611 1.00 1.62 C ATOM 1047 CD1 TYR A 61 6.772 1.651 8.093 1.00 1.68 C ATOM 1048 CD2 TYR A 61 8.251 3.556 7.720 1.00 1.73 C ATOM 1049 CE1 TYR A 61 7.835 0.935 8.677 1.00 1.84 C ATOM 1050 CE2 TYR A 61 9.316 2.843 8.304 1.00 1.89 C ATOM 1051 CZ TYR A 61 9.112 1.531 8.782 1.00 1.94 C ATOM 1052 OH TYR A 61 10.158 0.853 9.327 1.00 2.11 O ATOM 0 H TYR A 61 4.123 5.169 6.060 1.00 1.31 H new ATOM 0 HA TYR A 61 4.258 3.658 8.395 1.00 1.43 H new ATOM 0 HB2 TYR A 61 5.305 3.030 6.297 1.00 1.46 H new ATOM 0 HB3 TYR A 61 6.290 4.479 6.287 1.00 1.46 H new ATOM 0 HD1 TYR A 61 5.796 1.196 8.014 1.00 1.68 H new ATOM 0 HD2 TYR A 61 8.410 4.560 7.355 1.00 1.73 H new ATOM 0 HE1 TYR A 61 7.674 -0.068 9.044 1.00 1.84 H new ATOM 0 HE2 TYR A 61 10.291 3.301 8.386 1.00 1.89 H new ATOM 0 HH TYR A 61 10.187 -0.055 8.959 1.00 2.11 H new ATOM 1062 N ASP A 62 5.814 6.501 8.719 1.00 1.52 N ATOM 1063 CA ASP A 62 6.345 7.426 9.733 1.00 1.62 C ATOM 1064 C ASP A 62 5.330 7.694 10.857 1.00 1.61 C ATOM 1065 O ASP A 62 5.643 7.491 12.031 1.00 1.72 O ATOM 1066 CB ASP A 62 6.914 8.718 9.125 1.00 1.65 C ATOM 1067 CG ASP A 62 7.752 9.485 10.161 1.00 1.79 C ATOM 1068 OD1 ASP A 62 8.911 9.085 10.421 1.00 1.92 O ATOM 1069 OD2 ASP A 62 7.260 10.501 10.712 1.00 1.79 O ATOM 0 H ASP A 62 5.662 6.928 7.805 1.00 1.52 H new ATOM 0 HA ASP A 62 7.194 6.922 10.195 1.00 1.62 H new ATOM 0 HB2 ASP A 62 7.530 8.477 8.259 1.00 1.65 H new ATOM 0 HB3 ASP A 62 6.099 9.349 8.771 1.00 1.65 H new ATOM 1074 N GLU A 63 4.090 8.058 10.512 1.00 1.50 N ATOM 1075 CA GLU A 63 3.001 8.171 11.498 1.00 1.50 C ATOM 1076 C GLU A 63 2.636 6.839 12.201 1.00 1.56 C ATOM 1077 O GLU A 63 2.341 6.845 13.399 1.00 1.66 O ATOM 1078 CB GLU A 63 1.778 8.799 10.808 1.00 1.41 C ATOM 1079 CG GLU A 63 0.575 9.041 11.732 1.00 1.44 C ATOM 1080 CD GLU A 63 0.867 9.972 12.922 1.00 1.53 C ATOM 1081 OE1 GLU A 63 1.495 11.041 12.731 1.00 1.53 O ATOM 1082 OE2 GLU A 63 0.387 9.703 14.048 1.00 1.61 O ATOM 0 H GLU A 63 3.812 8.281 9.556 1.00 1.50 H new ATOM 0 HA GLU A 63 3.355 8.812 12.305 1.00 1.50 H new ATOM 0 HB2 GLU A 63 2.076 9.749 10.365 1.00 1.41 H new ATOM 0 HB3 GLU A 63 1.466 8.150 9.990 1.00 1.41 H new ATOM 0 HG2 GLU A 63 -0.239 9.466 11.145 1.00 1.44 H new ATOM 0 HG3 GLU A 63 0.226 8.081 12.114 1.00 1.44 H new ATOM 1089 N LEU A 64 2.698 5.691 11.508 1.00 1.54 N ATOM 1090 CA LEU A 64 2.521 4.350 12.094 1.00 1.64 C ATOM 1091 C LEU A 64 3.617 4.011 13.121 1.00 1.79 C ATOM 1092 O LEU A 64 3.391 3.188 14.012 1.00 1.90 O ATOM 1093 CB LEU A 64 2.517 3.246 11.005 1.00 1.59 C ATOM 1094 CG LEU A 64 1.384 3.274 9.964 1.00 1.48 C ATOM 1095 CD1 LEU A 64 1.541 2.108 8.987 1.00 1.46 C ATOM 1096 CD2 LEU A 64 -0.009 3.214 10.595 1.00 1.53 C ATOM 0 H LEU A 64 2.876 5.667 10.504 1.00 1.54 H new ATOM 0 HA LEU A 64 1.555 4.376 12.598 1.00 1.64 H new ATOM 0 HB2 LEU A 64 3.465 3.299 10.470 1.00 1.59 H new ATOM 0 HB3 LEU A 64 2.487 2.279 11.507 1.00 1.59 H new ATOM 0 HG LEU A 64 1.467 4.227 9.441 1.00 1.48 H new ATOM 0 HD11 LEU A 64 0.735 2.136 8.254 1.00 1.46 H new ATOM 0 HD12 LEU A 64 2.500 2.189 8.475 1.00 1.46 H new ATOM 0 HD13 LEU A 64 1.501 1.166 9.535 1.00 1.46 H new ATOM 0 HD21 LEU A 64 -0.765 3.237 9.810 1.00 1.53 H new ATOM 0 HD22 LEU A 64 -0.109 2.293 11.168 1.00 1.53 H new ATOM 0 HD23 LEU A 64 -0.146 4.070 11.256 1.00 1.53 H new ATOM 1108 N GLY A 65 4.877 4.249 12.779 1.00 1.82 N ATOM 1109 CA GLY A 65 5.928 3.923 13.741 1.00 2.01 C ATOM 1110 C GLY A 65 7.270 3.643 13.077 1.00 2.12 C ATOM 1111 O GLY A 65 7.347 3.563 11.849 1.00 1.99 O ATOM 0 H GLY A 65 5.189 4.645 11.892 1.00 1.82 H new ATOM 0 HA2 GLY A 65 6.041 4.749 14.443 1.00 2.01 H new ATOM 0 HA3 GLY A 65 5.626 3.051 14.321 1.00 2.01 H new ATOM 1115 N GLY A 66 8.318 3.423 13.873 1.00 2.43 N ATOM 1116 CA GLY A 66 9.604 3.062 13.280 1.00 2.61 C ATOM 1117 C GLY A 66 9.801 1.540 13.278 1.00 2.81 C ATOM 1118 O GLY A 66 9.421 0.872 14.240 1.00 3.02 O ATOM 0 H GLY A 66 8.305 3.485 14.891 1.00 2.43 H new ATOM 0 HA2 GLY A 66 9.657 3.440 12.259 1.00 2.61 H new ATOM 0 HA3 GLY A 66 10.412 3.536 13.838 1.00 2.61 H new ATOM 1122 N ASN A 67 10.355 0.981 12.193 1.00 2.79 N ATOM 1123 CA ASN A 67 10.608 -0.479 12.104 1.00 3.02 C ATOM 1124 C ASN A 67 11.892 -0.757 11.285 1.00 3.12 C ATOM 1125 O ASN A 67 11.840 -0.933 10.069 1.00 2.83 O ATOM 1126 CB ASN A 67 9.383 -1.198 11.511 1.00 2.85 C ATOM 1127 CG ASN A 67 8.974 -2.436 12.298 1.00 3.14 C ATOM 1128 OD1 ASN A 67 8.175 -2.355 13.230 1.00 3.57 O ATOM 1129 ND2 ASN A 67 9.514 -3.594 11.928 1.00 3.34 N ATOM 0 H ASN A 67 10.638 1.507 11.366 1.00 2.79 H new ATOM 0 HA ASN A 67 10.769 -0.874 13.107 1.00 3.02 H new ATOM 0 HB2 ASN A 67 8.544 -0.503 11.477 1.00 2.85 H new ATOM 0 HB3 ASN A 67 9.601 -1.485 10.482 1.00 2.85 H new ATOM 0 HD21 ASN A 67 9.269 -4.452 12.422 1.00 3.34 H new ATOM 0 HD22 ASN A 67 10.173 -3.624 11.150 1.00 3.34 H new ATOM 1136 N PRO A 68 13.046 -0.858 11.960 1.00 3.59 N ATOM 1137 CA PRO A 68 14.383 -1.048 11.317 1.00 3.82 C ATOM 1138 C PRO A 68 14.617 -2.354 10.531 1.00 3.69 C ATOM 1139 O PRO A 68 14.378 -3.456 11.033 1.00 3.80 O ATOM 1140 CB PRO A 68 15.344 -1.017 12.515 1.00 4.46 C ATOM 1141 CG PRO A 68 14.503 -1.359 13.699 1.00 4.52 C ATOM 1142 CD PRO A 68 13.145 -0.791 13.421 1.00 3.98 C ATOM 0 HA PRO A 68 14.510 -0.283 10.551 1.00 3.82 H new ATOM 0 HB2 PRO A 68 16.155 -1.734 12.388 1.00 4.46 H new ATOM 0 HB3 PRO A 68 15.802 -0.034 12.628 1.00 4.46 H new ATOM 0 HG2 PRO A 68 14.452 -2.438 13.842 1.00 4.52 H new ATOM 0 HG3 PRO A 68 14.923 -0.936 14.611 1.00 4.52 H new ATOM 0 HD2 PRO A 68 12.359 -1.371 13.905 1.00 3.98 H new ATOM 0 HD3 PRO A 68 13.055 0.233 13.784 1.00 3.98 H new ATOM 1150 N GLY A 69 15.111 -2.201 9.284 1.00 3.53 N ATOM 1151 CA GLY A 69 15.467 -3.342 8.434 1.00 3.44 C ATOM 1152 C GLY A 69 14.307 -4.106 7.799 1.00 2.86 C ATOM 1153 O GLY A 69 14.514 -4.829 6.819 1.00 2.82 O ATOM 0 H GLY A 69 15.270 -1.293 8.848 1.00 3.53 H new ATOM 0 HA2 GLY A 69 16.117 -2.983 7.636 1.00 3.44 H new ATOM 0 HA3 GLY A 69 16.051 -4.043 9.030 1.00 3.44 H new ATOM 1157 N SER A 70 13.101 -3.956 8.327 1.00 2.44 N ATOM 1158 CA SER A 70 11.953 -4.682 7.790 1.00 2.00 C ATOM 1159 C SER A 70 11.069 -3.796 6.930 1.00 1.53 C ATOM 1160 O SER A 70 10.891 -2.608 7.209 1.00 1.46 O ATOM 1161 CB SER A 70 11.131 -5.298 8.916 1.00 2.18 C ATOM 1162 OG SER A 70 11.801 -6.409 9.484 1.00 2.80 O ATOM 0 H SER A 70 12.890 -3.347 9.117 1.00 2.44 H new ATOM 0 HA SER A 70 12.347 -5.476 7.156 1.00 2.00 H new ATOM 0 HB2 SER A 70 10.943 -4.549 9.686 1.00 2.18 H new ATOM 0 HB3 SER A 70 10.160 -5.611 8.533 1.00 2.18 H new ATOM 0 HG SER A 70 11.255 -6.786 10.205 1.00 2.80 H new ATOM 1168 N THR A 71 10.494 -4.392 5.890 1.00 1.44 N ATOM 1169 CA THR A 71 9.642 -3.656 4.972 1.00 1.46 C ATOM 1170 C THR A 71 8.443 -4.485 4.504 1.00 1.45 C ATOM 1171 O THR A 71 8.585 -5.382 3.671 1.00 1.87 O ATOM 1172 CB THR A 71 10.439 -3.208 3.739 1.00 1.83 C ATOM 1173 OG1 THR A 71 9.526 -2.862 2.694 1.00 2.27 O ATOM 1174 CG2 THR A 71 11.389 -4.311 3.278 1.00 2.08 C ATOM 0 H THR A 71 10.604 -5.381 5.665 1.00 1.44 H new ATOM 0 HA THR A 71 9.272 -2.789 5.519 1.00 1.46 H new ATOM 0 HB THR A 71 11.042 -2.338 3.997 1.00 1.83 H new ATOM 0 HG1 THR A 71 9.765 -3.347 1.877 1.00 2.27 H new ATOM 0 HG21 THR A 71 11.943 -3.972 2.403 1.00 2.08 H new ATOM 0 HG22 THR A 71 12.087 -4.549 4.080 1.00 2.08 H new ATOM 0 HG23 THR A 71 10.815 -5.201 3.021 1.00 2.08 H new ATOM 1182 N SER A 72 7.263 -4.175 5.041 1.00 1.38 N ATOM 1183 CA SER A 72 6.036 -4.883 4.666 1.00 1.57 C ATOM 1184 C SER A 72 4.807 -4.178 5.244 1.00 1.49 C ATOM 1185 O SER A 72 3.844 -4.832 5.623 1.00 1.91 O ATOM 1186 CB SER A 72 6.078 -6.338 5.163 1.00 2.05 C ATOM 1187 OG SER A 72 5.006 -7.103 4.624 1.00 2.49 O ATOM 0 H SER A 72 7.129 -3.440 5.736 1.00 1.38 H new ATOM 0 HA SER A 72 5.966 -4.881 3.578 1.00 1.57 H new ATOM 0 HB2 SER A 72 7.028 -6.792 4.882 1.00 2.05 H new ATOM 0 HB3 SER A 72 6.026 -6.354 6.252 1.00 2.05 H new ATOM 0 HG SER A 72 5.359 -7.926 4.226 1.00 2.49 H new ATOM 1193 N ALA A 73 4.835 -2.844 5.307 1.00 1.18 N ATOM 1194 CA ALA A 73 3.706 -2.087 5.861 1.00 1.24 C ATOM 1195 C ALA A 73 3.216 -0.974 4.935 1.00 1.27 C ATOM 1196 O ALA A 73 2.026 -0.901 4.629 1.00 1.39 O ATOM 1197 CB ALA A 73 4.071 -1.516 7.226 1.00 1.32 C ATOM 0 H ALA A 73 5.615 -2.271 4.986 1.00 1.18 H new ATOM 0 HA ALA A 73 2.881 -2.791 5.966 1.00 1.24 H new ATOM 0 HB1 ALA A 73 3.224 -0.957 7.625 1.00 1.32 H new ATOM 0 HB2 ALA A 73 4.321 -2.330 7.906 1.00 1.32 H new ATOM 0 HB3 ALA A 73 4.929 -0.852 7.125 1.00 1.32 H new ATOM 1203 N ALA A 74 4.131 -0.105 4.508 1.00 1.27 N ATOM 1204 CA ALA A 74 3.784 1.017 3.631 1.00 1.40 C ATOM 1205 C ALA A 74 3.199 0.537 2.307 1.00 1.28 C ATOM 1206 O ALA A 74 2.212 1.089 1.820 1.00 1.34 O ATOM 1207 CB ALA A 74 5.006 1.889 3.383 1.00 1.61 C ATOM 0 H ALA A 74 5.120 -0.155 4.754 1.00 1.27 H new ATOM 0 HA ALA A 74 3.019 1.608 4.135 1.00 1.40 H new ATOM 0 HB1 ALA A 74 4.735 2.719 2.730 1.00 1.61 H new ATOM 0 HB2 ALA A 74 5.373 2.279 4.332 1.00 1.61 H new ATOM 0 HB3 ALA A 74 5.787 1.295 2.909 1.00 1.61 H new ATOM 1213 N THR A 75 3.806 -0.504 1.747 1.00 1.16 N ATOM 1214 CA THR A 75 3.366 -1.067 0.473 1.00 1.15 C ATOM 1215 C THR A 75 2.033 -1.796 0.596 1.00 1.20 C ATOM 1216 O THR A 75 1.201 -1.741 -0.308 1.00 1.25 O ATOM 1217 CB THR A 75 4.414 -2.043 -0.092 1.00 1.17 C ATOM 1218 OG1 THR A 75 4.849 -2.947 0.933 1.00 1.24 O ATOM 1219 CG2 THR A 75 5.610 -1.286 -0.646 1.00 1.66 C ATOM 0 H THR A 75 4.610 -0.979 2.158 1.00 1.16 H new ATOM 0 HA THR A 75 3.241 -0.224 -0.207 1.00 1.15 H new ATOM 0 HB THR A 75 3.952 -2.609 -0.901 1.00 1.17 H new ATOM 0 HG1 THR A 75 5.514 -3.565 0.564 1.00 1.24 H new ATOM 0 HG21 THR A 75 6.338 -1.995 -1.040 1.00 1.66 H new ATOM 0 HG22 THR A 75 5.282 -0.621 -1.445 1.00 1.66 H new ATOM 0 HG23 THR A 75 6.069 -0.699 0.149 1.00 1.66 H new ATOM 1227 N CYS A 76 1.840 -2.475 1.723 1.00 1.24 N ATOM 1228 CA CYS A 76 0.618 -3.229 1.974 1.00 1.36 C ATOM 1229 C CYS A 76 -0.590 -2.306 2.137 1.00 1.39 C ATOM 1230 O CYS A 76 -1.660 -2.577 1.593 1.00 1.46 O ATOM 1231 CB CYS A 76 0.801 -4.102 3.211 1.00 1.46 C ATOM 1232 SG CYS A 76 2.054 -5.388 3.002 1.00 1.61 S ATOM 0 H CYS A 76 2.521 -2.518 2.482 1.00 1.24 H new ATOM 0 HA CYS A 76 0.423 -3.865 1.110 1.00 1.36 H new ATOM 0 HB2 CYS A 76 1.077 -3.470 4.055 1.00 1.46 H new ATOM 0 HB3 CYS A 76 -0.151 -4.570 3.461 1.00 1.46 H new ATOM 0 HG CYS A 76 2.852 -5.387 4.028 1.00 1.61 H new ATOM 1238 N THR A 77 -0.406 -1.213 2.876 1.00 1.35 N ATOM 1239 CA THR A 77 -1.472 -0.236 3.104 1.00 1.39 C ATOM 1240 C THR A 77 -1.876 0.450 1.794 1.00 1.34 C ATOM 1241 O THR A 77 -3.018 0.873 1.627 1.00 1.38 O ATOM 1242 CB THR A 77 -1.044 0.828 4.136 1.00 1.41 C ATOM 1243 OG1 THR A 77 -0.515 0.187 5.299 1.00 1.48 O ATOM 1244 CG2 THR A 77 -2.220 1.704 4.538 1.00 1.49 C ATOM 0 H THR A 77 0.477 -0.980 3.330 1.00 1.35 H new ATOM 0 HA THR A 77 -2.330 -0.779 3.499 1.00 1.39 H new ATOM 0 HB THR A 77 -0.281 1.458 3.678 1.00 1.41 H new ATOM 0 HG1 THR A 77 0.382 -0.156 5.104 1.00 1.48 H new ATOM 0 HG21 THR A 77 -1.890 2.445 5.266 1.00 1.49 H new ATOM 0 HG22 THR A 77 -2.614 2.211 3.657 1.00 1.49 H new ATOM 0 HG23 THR A 77 -3.001 1.085 4.979 1.00 1.49 H new ATOM 1252 N ARG A 78 -0.920 0.548 0.874 1.00 1.27 N ATOM 1253 CA ARG A 78 -1.137 1.163 -0.435 1.00 1.25 C ATOM 1254 C ARG A 78 -2.077 0.301 -1.293 1.00 1.30 C ATOM 1255 O ARG A 78 -2.948 0.813 -1.999 1.00 1.29 O ATOM 1256 CB ARG A 78 0.235 1.338 -1.119 1.00 1.25 C ATOM 1257 CG ARG A 78 0.201 1.443 -2.641 1.00 1.33 C ATOM 1258 CD ARG A 78 1.514 0.956 -3.253 1.00 1.40 C ATOM 1259 NE ARG A 78 1.429 0.787 -4.705 1.00 1.56 N ATOM 1260 CZ ARG A 78 2.399 0.251 -5.452 1.00 1.92 C ATOM 1261 NH1 ARG A 78 3.533 -0.162 -4.893 1.00 2.01 N ATOM 1262 NH2 ARG A 78 2.238 0.129 -6.763 1.00 2.42 N ATOM 0 H ARG A 78 0.029 0.203 1.014 1.00 1.27 H new ATOM 0 HA ARG A 78 -1.614 2.136 -0.316 1.00 1.25 H new ATOM 0 HB2 ARG A 78 0.708 2.235 -0.721 1.00 1.25 H new ATOM 0 HB3 ARG A 78 0.869 0.495 -0.844 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -0.628 0.852 -3.031 1.00 1.33 H new ATOM 0 HG3 ARG A 78 0.021 2.477 -2.934 1.00 1.33 H new ATOM 0 HD2 ARG A 78 2.306 1.668 -3.019 1.00 1.40 H new ATOM 0 HD3 ARG A 78 1.794 0.007 -2.796 1.00 1.40 H new ATOM 0 HE ARG A 78 0.578 1.097 -5.175 1.00 1.56 H new ATOM 0 HH11 ARG A 78 3.668 -0.071 -3.886 1.00 2.01 H new ATOM 0 HH12 ARG A 78 4.268 -0.570 -5.471 1.00 2.01 H new ATOM 0 HH21 ARG A 78 1.373 0.444 -7.202 1.00 2.42 H new ATOM 0 HH22 ARG A 78 2.979 -0.280 -7.332 1.00 2.42 H new ATOM 1276 N ARG A 79 -1.884 -1.009 -1.199 1.00 1.37 N ATOM 1277 CA ARG A 79 -2.645 -2.003 -1.947 1.00 1.45 C ATOM 1278 C ARG A 79 -4.048 -2.240 -1.375 1.00 1.48 C ATOM 1279 O ARG A 79 -4.959 -2.612 -2.112 1.00 1.54 O ATOM 1280 CB ARG A 79 -1.866 -3.324 -2.069 1.00 1.52 C ATOM 1281 CG ARG A 79 -0.480 -3.142 -2.719 1.00 1.51 C ATOM 1282 CD ARG A 79 0.242 -4.479 -2.930 1.00 1.59 C ATOM 1283 NE ARG A 79 -0.396 -5.298 -3.982 1.00 1.67 N ATOM 1284 CZ ARG A 79 -0.059 -6.523 -4.344 1.00 1.76 C ATOM 1285 NH1 ARG A 79 0.920 -7.169 -3.775 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -0.702 -7.131 -5.299 1.00 1.82 N ATOM 0 H ARG A 79 -1.178 -1.419 -0.587 1.00 1.37 H new ATOM 0 HA ARG A 79 -2.785 -1.592 -2.947 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -1.743 -3.761 -1.078 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -2.449 -4.031 -2.659 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -0.594 -2.637 -3.678 1.00 1.51 H new ATOM 0 HG3 ARG A 79 0.132 -2.496 -2.090 1.00 1.51 H new ATOM 0 HD2 ARG A 79 1.281 -4.290 -3.199 1.00 1.59 H new ATOM 0 HD3 ARG A 79 0.251 -5.037 -1.993 1.00 1.59 H new ATOM 0 HE ARG A 79 -1.178 -4.873 -4.480 1.00 1.67 H new ATOM 0 HH11 ARG A 79 1.453 -6.729 -3.025 1.00 1.79 H new ATOM 0 HH12 ARG A 79 1.153 -8.114 -4.080 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -1.473 -6.661 -5.774 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -0.435 -8.077 -5.572 1.00 1.82 H new ATOM 1300 N HIS A 80 -4.234 -1.984 -0.079 1.00 1.47 N ATOM 1301 CA HIS A 80 -5.545 -1.951 0.569 1.00 1.50 C ATOM 1302 C HIS A 80 -6.287 -0.651 0.223 1.00 1.44 C ATOM 1303 O HIS A 80 -7.407 -0.708 -0.281 1.00 1.48 O ATOM 1304 CB HIS A 80 -5.370 -2.156 2.085 1.00 1.52 C ATOM 1305 CG HIS A 80 -4.622 -3.423 2.443 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -3.767 -3.590 3.510 1.00 1.62 N ATOM 1307 CD2 HIS A 80 -4.661 -4.626 1.776 1.00 1.68 C ATOM 1308 CE1 HIS A 80 -3.305 -4.853 3.488 1.00 1.70 C ATOM 1309 NE2 HIS A 80 -3.820 -5.525 2.444 1.00 1.74 N ATOM 0 H HIS A 80 -3.463 -1.790 0.561 1.00 1.47 H new ATOM 0 HA HIS A 80 -6.166 -2.765 0.196 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -4.838 -1.300 2.500 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -6.353 -2.179 2.556 1.00 1.52 H new ATOM 0 HD1 HIS A 80 -3.526 -2.878 4.199 1.00 1.62 H new ATOM 0 HD2 HIS A 80 -5.240 -4.840 0.890 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -2.616 -5.269 4.209 1.00 1.70 H new ATOM 1318 N TYR A 81 -5.654 0.521 0.381 1.00 1.35 N ATOM 1319 CA TYR A 81 -6.265 1.833 0.106 1.00 1.29 C ATOM 1320 C TYR A 81 -6.807 1.954 -1.325 1.00 1.32 C ATOM 1321 O TYR A 81 -7.895 2.500 -1.526 1.00 1.34 O ATOM 1322 CB TYR A 81 -5.232 2.935 0.400 1.00 1.21 C ATOM 1323 CG TYR A 81 -5.757 4.370 0.395 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -6.085 5.011 -0.819 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -5.864 5.087 1.604 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -6.537 6.346 -0.822 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -6.243 6.444 1.595 1.00 1.12 C ATOM 1328 CZ TYR A 81 -6.597 7.078 0.384 1.00 1.12 C ATOM 1329 OH TYR A 81 -7.025 8.370 0.397 1.00 1.11 O ATOM 0 H TYR A 81 -4.690 0.587 0.708 1.00 1.35 H new ATOM 0 HA TYR A 81 -7.130 1.946 0.760 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -4.787 2.736 1.375 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -4.432 2.860 -0.337 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -5.989 4.475 -1.752 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -5.654 4.594 2.542 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -6.838 6.810 -1.749 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -6.263 7.002 2.519 1.00 1.12 H new ATOM 0 HH TYR A 81 -7.523 8.558 -0.426 1.00 1.11 H new ATOM 1339 N GLU A 82 -6.112 1.385 -2.324 1.00 1.34 N ATOM 1340 CA GLU A 82 -6.495 1.479 -3.734 1.00 1.39 C ATOM 1341 C GLU A 82 -7.752 0.663 -4.072 1.00 1.50 C ATOM 1342 O GLU A 82 -8.259 0.752 -5.192 1.00 1.56 O ATOM 1343 CB GLU A 82 -5.315 1.169 -4.668 1.00 1.40 C ATOM 1344 CG GLU A 82 -4.954 -0.310 -4.766 1.00 1.46 C ATOM 1345 CD GLU A 82 -3.977 -0.566 -5.927 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -4.433 -0.574 -7.098 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -2.766 -0.784 -5.679 1.00 1.46 O ATOM 0 H GLU A 82 -5.262 0.843 -2.169 1.00 1.34 H new ATOM 0 HA GLU A 82 -6.771 2.519 -3.910 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -5.552 1.539 -5.666 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -4.441 1.721 -4.323 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -4.505 -0.641 -3.829 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -5.859 -0.900 -4.912 1.00 1.46 H new ATOM 1354 N ARG A 83 -8.265 -0.116 -3.101 1.00 1.53 N ATOM 1355 CA ARG A 83 -9.575 -0.772 -3.215 1.00 1.64 C ATOM 1356 C ARG A 83 -10.536 -0.454 -2.062 1.00 1.64 C ATOM 1357 O ARG A 83 -11.707 -0.820 -2.154 1.00 1.73 O ATOM 1358 CB ARG A 83 -9.402 -2.297 -3.361 1.00 1.73 C ATOM 1359 CG ARG A 83 -8.639 -2.753 -4.612 1.00 1.75 C ATOM 1360 CD ARG A 83 -9.359 -2.398 -5.924 1.00 1.81 C ATOM 1361 NE ARG A 83 -8.560 -2.815 -7.092 1.00 1.84 N ATOM 1362 CZ ARG A 83 -7.512 -2.181 -7.591 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -7.175 -0.982 -7.219 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -6.746 -2.751 -8.474 1.00 1.82 N ATOM 0 H ARG A 83 -7.784 -0.306 -2.222 1.00 1.53 H new ATOM 0 HA ARG A 83 -10.037 -0.362 -4.113 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -8.881 -2.673 -2.480 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -10.389 -2.759 -3.369 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -7.650 -2.296 -4.613 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -8.492 -3.832 -4.567 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -10.334 -2.885 -5.952 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -9.539 -1.324 -5.966 1.00 1.81 H new ATOM 0 HE ARG A 83 -8.843 -3.676 -7.560 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -7.727 -0.492 -6.515 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -6.358 -0.531 -7.631 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -6.950 -3.699 -8.790 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -5.941 -2.250 -8.850 1.00 1.82 H new ATOM 1378 N LEU A 84 -10.076 0.240 -1.016 1.00 1.56 N ATOM 1379 CA LEU A 84 -10.843 0.389 0.224 1.00 1.57 C ATOM 1380 C LEU A 84 -11.240 1.847 0.508 1.00 1.51 C ATOM 1381 O LEU A 84 -12.061 2.094 1.383 1.00 1.54 O ATOM 1382 CB LEU A 84 -9.976 -0.223 1.336 1.00 1.56 C ATOM 1383 CG LEU A 84 -10.634 -0.362 2.710 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -11.869 -1.255 2.682 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -9.635 -0.970 3.691 1.00 1.61 C ATOM 0 H LEU A 84 -9.171 0.710 -1.004 1.00 1.56 H new ATOM 0 HA LEU A 84 -11.800 -0.128 0.152 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -9.650 -1.211 1.011 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -9.080 0.388 1.446 1.00 1.56 H new ATOM 0 HG LEU A 84 -10.941 0.638 3.017 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -12.295 -1.318 3.683 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -12.607 -0.834 1.999 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -11.589 -2.253 2.343 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -10.102 -1.070 4.671 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -9.327 -1.953 3.334 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -8.762 -0.322 3.770 1.00 1.61 H new ATOM 1397 N ILE A 85 -10.691 2.809 -0.245 1.00 1.44 N ATOM 1398 CA ILE A 85 -11.194 4.196 -0.227 1.00 1.41 C ATOM 1399 C ILE A 85 -10.837 5.004 -1.473 1.00 1.39 C ATOM 1400 O ILE A 85 -11.587 5.916 -1.799 1.00 1.42 O ATOM 1401 CB ILE A 85 -10.807 4.933 1.068 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -11.586 6.266 1.182 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -9.296 5.153 1.178 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -11.738 6.776 2.616 1.00 1.33 C ATOM 0 H ILE A 85 -9.902 2.657 -0.873 1.00 1.44 H new ATOM 0 HA ILE A 85 -12.280 4.107 -0.244 1.00 1.41 H new ATOM 0 HB ILE A 85 -11.088 4.298 1.908 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -11.076 7.025 0.589 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -12.577 6.135 0.747 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -9.071 5.676 2.107 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -8.787 4.189 1.172 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -8.953 5.750 0.333 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -12.295 7.713 2.612 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -12.276 6.037 3.210 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -10.752 6.942 3.050 1.00 1.33 H new ATOM 1416 N LEU A 86 -9.806 4.644 -2.246 1.00 1.37 N ATOM 1417 CA LEU A 86 -9.586 5.219 -3.579 1.00 1.39 C ATOM 1418 C LEU A 86 -10.860 5.214 -4.469 1.00 1.49 C ATOM 1419 O LEU A 86 -11.122 6.238 -5.109 1.00 1.52 O ATOM 1420 CB LEU A 86 -8.400 4.497 -4.236 1.00 1.37 C ATOM 1421 CG LEU A 86 -8.001 4.987 -5.640 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -7.650 6.478 -5.666 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -6.793 4.208 -6.149 1.00 1.40 C ATOM 0 H LEU A 86 -9.108 3.954 -1.970 1.00 1.37 H new ATOM 0 HA LEU A 86 -9.345 6.276 -3.466 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -7.534 4.593 -3.581 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -8.637 3.435 -4.298 1.00 1.37 H new ATOM 0 HG LEU A 86 -8.869 4.823 -6.279 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -7.376 6.770 -6.680 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -8.512 7.060 -5.341 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -6.812 6.666 -4.995 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -6.522 4.565 -7.143 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -5.953 4.354 -5.470 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -7.039 3.147 -6.199 1.00 1.40 H new ATOM 1435 N PRO A 87 -11.707 4.155 -4.486 1.00 1.58 N ATOM 1436 CA PRO A 87 -12.995 4.197 -5.190 1.00 1.69 C ATOM 1437 C PRO A 87 -14.095 5.038 -4.507 1.00 1.71 C ATOM 1438 O PRO A 87 -15.073 5.368 -5.184 1.00 1.80 O ATOM 1439 CB PRO A 87 -13.432 2.735 -5.341 1.00 1.78 C ATOM 1440 CG PRO A 87 -12.772 2.040 -4.156 1.00 1.71 C ATOM 1441 CD PRO A 87 -11.448 2.786 -4.036 1.00 1.59 C ATOM 0 HA PRO A 87 -12.855 4.704 -6.145 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -14.517 2.636 -5.311 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -13.100 2.313 -6.289 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -13.371 2.126 -3.249 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -12.624 0.976 -4.340 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -11.088 2.776 -3.007 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -10.679 2.314 -4.648 1.00 1.59 H new ATOM 1449 N TYR A 88 -13.973 5.406 -3.219 1.00 1.63 N ATOM 1450 CA TYR A 88 -15.023 6.154 -2.500 1.00 1.66 C ATOM 1451 C TYR A 88 -14.676 7.628 -2.223 1.00 1.59 C ATOM 1452 O TYR A 88 -15.570 8.467 -2.297 1.00 1.64 O ATOM 1453 CB TYR A 88 -15.490 5.378 -1.251 1.00 1.68 C ATOM 1454 CG TYR A 88 -16.840 4.681 -1.408 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -17.184 4.010 -2.603 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -17.767 4.706 -0.346 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -18.436 3.380 -2.734 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -19.025 4.085 -0.475 1.00 1.97 C ATOM 1459 CZ TYR A 88 -19.362 3.415 -1.671 1.00 2.05 C ATOM 1460 OH TYR A 88 -20.572 2.803 -1.805 1.00 2.17 O ATOM 0 H TYR A 88 -13.152 5.196 -2.651 1.00 1.63 H new ATOM 0 HA TYR A 88 -15.876 6.224 -3.176 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -14.737 4.631 -1.000 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -15.547 6.069 -0.410 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -16.481 3.980 -3.422 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -17.510 5.206 0.576 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -18.688 2.868 -3.651 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -19.732 4.122 0.341 1.00 1.97 H new ATOM 0 HH TYR A 88 -21.091 2.920 -0.982 1.00 2.17 H new ATOM 1470 N GLU A 89 -13.403 8.019 -2.065 1.00 1.50 N ATOM 1471 CA GLU A 89 -13.014 9.449 -2.067 1.00 1.46 C ATOM 1472 C GLU A 89 -13.429 10.164 -3.377 1.00 1.53 C ATOM 1473 O GLU A 89 -13.522 11.389 -3.425 1.00 1.55 O ATOM 1474 CB GLU A 89 -11.513 9.653 -1.765 1.00 1.36 C ATOM 1475 CG GLU A 89 -10.551 9.184 -2.870 1.00 1.35 C ATOM 1476 CD GLU A 89 -9.117 9.703 -2.637 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -8.389 9.146 -1.781 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -8.708 10.672 -3.328 1.00 1.29 O ATOM 0 H GLU A 89 -12.624 7.374 -1.934 1.00 1.50 H new ATOM 0 HA GLU A 89 -13.568 9.915 -1.252 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -11.337 10.713 -1.579 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -11.269 9.123 -0.844 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -10.542 8.095 -2.906 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -10.911 9.532 -3.838 1.00 1.35 H new ATOM 1485 N ARG A 90 -13.771 9.363 -4.399 1.00 1.61 N ATOM 1486 CA ARG A 90 -14.399 9.860 -5.630 1.00 1.71 C ATOM 1487 C ARG A 90 -15.643 10.735 -5.388 1.00 1.78 C ATOM 1488 O ARG A 90 -15.821 11.710 -6.117 1.00 1.83 O ATOM 1489 CB ARG A 90 -14.699 8.650 -6.535 1.00 1.78 C ATOM 1490 CG ARG A 90 -15.076 9.050 -7.967 1.00 1.89 C ATOM 1491 CD ARG A 90 -15.198 7.809 -8.858 1.00 1.97 C ATOM 1492 NE ARG A 90 -15.517 8.172 -10.252 1.00 2.08 N ATOM 1493 CZ ARG A 90 -15.496 7.370 -11.302 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -15.192 6.105 -11.207 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -15.785 7.829 -12.487 1.00 2.25 N ATOM 0 H ARG A 90 -13.619 8.354 -4.394 1.00 1.61 H new ATOM 0 HA ARG A 90 -13.701 10.535 -6.125 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -13.825 8.000 -6.564 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -15.513 8.071 -6.099 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -16.020 9.595 -7.962 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -14.321 9.723 -8.373 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -14.264 7.248 -8.832 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -15.975 7.153 -8.465 1.00 1.97 H new ATOM 0 HE ARG A 90 -15.781 9.142 -10.423 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -14.960 5.703 -10.299 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -15.187 5.518 -12.041 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -16.029 8.812 -12.608 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -15.767 7.205 -13.294 1.00 2.25 H new ATOM 1509 N PHE A 91 -16.463 10.473 -4.357 1.00 1.78 N ATOM 1510 CA PHE A 91 -17.565 11.391 -3.995 1.00 1.84 C ATOM 1511 C PHE A 91 -17.078 12.666 -3.275 1.00 1.78 C ATOM 1512 O PHE A 91 -17.688 13.724 -3.428 1.00 1.84 O ATOM 1513 CB PHE A 91 -18.693 10.681 -3.215 1.00 1.89 C ATOM 1514 CG PHE A 91 -18.407 10.238 -1.785 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -18.302 11.181 -0.740 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -18.297 8.867 -1.481 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -17.989 10.761 0.566 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -17.974 8.451 -0.179 1.00 1.76 C ATOM 1519 CZ PHE A 91 -17.789 9.399 0.835 1.00 1.70 C ATOM 0 H PHE A 91 -16.389 9.646 -3.764 1.00 1.78 H new ATOM 0 HA PHE A 91 -17.994 11.722 -4.941 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -19.554 11.349 -3.191 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -18.989 9.800 -3.784 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -18.463 12.229 -0.944 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -18.462 8.131 -2.254 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -17.903 11.487 1.361 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -17.868 7.399 0.040 1.00 1.76 H new ATOM 0 HZ PHE A 91 -17.492 9.082 1.824 1.00 1.70 H new ATOM 1529 N ILE A 92 -15.954 12.599 -2.549 1.00 1.67 N ATOM 1530 CA ILE A 92 -15.401 13.772 -1.841 1.00 1.62 C ATOM 1531 C ILE A 92 -14.747 14.725 -2.850 1.00 1.64 C ATOM 1532 O ILE A 92 -14.932 15.939 -2.797 1.00 1.69 O ATOM 1533 CB ILE A 92 -14.375 13.329 -0.761 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -14.987 12.284 0.203 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -13.865 14.551 0.027 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -14.011 11.697 1.230 1.00 1.43 C ATOM 0 H ILE A 92 -15.406 11.746 -2.434 1.00 1.67 H new ATOM 0 HA ILE A 92 -16.214 14.295 -1.337 1.00 1.62 H new ATOM 0 HB ILE A 92 -13.533 12.861 -1.271 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -15.817 12.747 0.737 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -15.403 11.468 -0.387 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -13.147 14.225 0.780 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -13.382 15.249 -0.657 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -14.705 15.045 0.516 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -14.534 10.976 1.858 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -13.192 11.199 0.711 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -13.612 12.498 1.852 1.00 1.43 H new ATOM 1548 N LYS A 93 -14.030 14.150 -3.816 1.00 1.63 N ATOM 1549 CA LYS A 93 -13.215 14.909 -4.775 1.00 1.66 C ATOM 1550 C LYS A 93 -13.963 15.245 -6.074 1.00 1.78 C ATOM 1551 O LYS A 93 -13.440 15.966 -6.924 1.00 1.82 O ATOM 1552 CB LYS A 93 -11.957 14.061 -5.009 1.00 1.58 C ATOM 1553 CG LYS A 93 -10.765 14.854 -5.556 1.00 1.58 C ATOM 1554 CD LYS A 93 -9.460 14.087 -5.313 1.00 1.49 C ATOM 1555 CE LYS A 93 -9.416 12.757 -6.076 1.00 1.50 C ATOM 1556 NZ LYS A 93 -8.202 11.989 -5.723 1.00 1.41 N ATOM 0 H LYS A 93 -13.996 13.141 -3.959 1.00 1.63 H new ATOM 0 HA LYS A 93 -12.959 15.890 -4.376 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -11.668 13.591 -4.069 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -12.197 13.258 -5.706 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -10.897 15.032 -6.623 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -10.716 15.830 -5.073 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -8.616 14.706 -5.617 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -9.347 13.895 -4.246 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -10.304 12.169 -5.843 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -9.432 12.947 -7.149 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -8.028 11.262 -6.447 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -7.386 12.632 -5.675 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -8.337 11.532 -4.799 1.00 1.41 H new ATOM 1570 N GLY A 94 -15.198 14.749 -6.194 1.00 1.84 N ATOM 1571 CA GLY A 94 -16.051 14.991 -7.361 1.00 1.97 C ATOM 1572 C GLY A 94 -17.374 15.693 -7.032 1.00 2.05 C ATOM 1573 O GLY A 94 -17.979 16.268 -7.936 1.00 2.15 O ATOM 0 H GLY A 94 -15.636 14.166 -5.481 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -15.500 15.596 -8.082 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -16.267 14.038 -7.844 1.00 1.97 H new ATOM 1577 N GLU A 95 -17.816 15.695 -5.763 1.00 2.00 N ATOM 1578 CA GLU A 95 -19.114 16.265 -5.346 1.00 2.08 C ATOM 1579 C GLU A 95 -19.080 16.991 -3.980 1.00 2.02 C ATOM 1580 O GLU A 95 -20.114 17.173 -3.332 1.00 2.07 O ATOM 1581 CB GLU A 95 -20.221 15.185 -5.377 1.00 2.13 C ATOM 1582 CG GLU A 95 -20.439 14.524 -6.745 1.00 2.21 C ATOM 1583 CD GLU A 95 -21.654 13.580 -6.715 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -22.793 14.033 -6.990 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -21.482 12.368 -6.430 1.00 2.26 O ATOM 0 H GLU A 95 -17.281 15.299 -4.990 1.00 2.00 H new ATOM 0 HA GLU A 95 -19.347 17.039 -6.077 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -19.974 14.411 -4.651 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -21.159 15.637 -5.054 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -20.589 15.292 -7.504 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -19.547 13.965 -7.029 1.00 2.21 H new ATOM 1592 N GLU A 96 -17.900 17.447 -3.542 1.00 1.94 N ATOM 1593 CA GLU A 96 -17.741 18.263 -2.323 1.00 1.90 C ATOM 1594 C GLU A 96 -16.531 19.223 -2.344 1.00 1.87 C ATOM 1595 O GLU A 96 -16.680 20.401 -2.016 1.00 1.92 O ATOM 1596 CB GLU A 96 -17.687 17.346 -1.081 1.00 1.82 C ATOM 1597 CG GLU A 96 -17.812 18.135 0.228 1.00 1.81 C ATOM 1598 CD GLU A 96 -17.913 17.191 1.441 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -19.046 16.799 1.818 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -16.865 16.851 2.042 1.00 1.68 O ATOM 0 H GLU A 96 -17.020 17.261 -4.024 1.00 1.94 H new ATOM 0 HA GLU A 96 -18.617 18.910 -2.279 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -18.490 16.612 -1.139 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -16.748 16.792 -1.081 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -16.948 18.790 0.345 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -18.694 18.774 0.187 1.00 1.81 H new ATOM 1607 N ASP A 97 -15.354 18.712 -2.666 1.00 1.80 N ATOM 1608 CA ASP A 97 -14.158 19.542 -2.699 1.00 1.78 C ATOM 1609 C ASP A 97 -13.255 19.140 -3.850 1.00 1.87 C ATOM 1610 O ASP A 97 -13.124 17.960 -4.167 1.00 2.33 O ATOM 1611 CB ASP A 97 -13.398 19.431 -1.377 1.00 1.78 C ATOM 1612 CG ASP A 97 -12.353 20.520 -1.219 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -12.739 21.690 -1.012 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -11.148 20.201 -1.304 1.00 2.20 O ATOM 0 H ASP A 97 -15.200 17.733 -2.907 1.00 1.80 H new ATOM 0 HA ASP A 97 -14.467 20.577 -2.846 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -14.105 19.486 -0.549 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -12.915 18.456 -1.319 1.00 1.78 H new ATOM 1619 N LYS A 98 -12.632 20.133 -4.470 1.00 1.90 N ATOM 1620 CA LYS A 98 -11.741 19.889 -5.590 1.00 2.13 C ATOM 1621 C LYS A 98 -10.661 20.968 -5.660 1.00 2.94 C ATOM 1622 O LYS A 98 -10.842 22.001 -6.308 1.00 3.42 O ATOM 1623 CB LYS A 98 -12.543 19.853 -6.892 1.00 2.05 C ATOM 1624 CG LYS A 98 -11.823 19.163 -8.034 1.00 2.30 C ATOM 1625 CD LYS A 98 -12.652 19.202 -9.304 1.00 2.83 C ATOM 1626 CE LYS A 98 -11.995 18.418 -10.425 1.00 3.09 C ATOM 1627 NZ LYS A 98 -12.812 18.445 -11.668 1.00 3.68 N ATOM 0 H LYS A 98 -12.729 21.116 -4.214 1.00 1.90 H new ATOM 0 HA LYS A 98 -11.252 18.925 -5.448 1.00 2.13 H new ATOM 0 HB2 LYS A 98 -13.490 19.344 -6.711 1.00 2.05 H new ATOM 0 HB3 LYS A 98 -12.782 20.874 -7.189 1.00 2.05 H new ATOM 0 HG2 LYS A 98 -10.862 19.647 -8.208 1.00 2.30 H new ATOM 0 HG3 LYS A 98 -11.614 18.128 -7.764 1.00 2.30 H new ATOM 0 HD2 LYS A 98 -13.643 18.793 -9.105 1.00 2.83 H new ATOM 0 HD3 LYS A 98 -12.791 20.237 -9.616 1.00 2.83 H new ATOM 0 HE2 LYS A 98 -11.008 18.833 -10.629 1.00 3.09 H new ATOM 0 HE3 LYS A 98 -11.847 17.385 -10.109 1.00 3.09 H new ATOM 0 HZ1 LYS A 98 -12.682 17.554 -12.188 1.00 3.68 H new ATOM 0 HZ2 LYS A 98 -13.816 18.559 -11.421 1.00 3.68 H new ATOM 0 HZ3 LYS A 98 -12.510 19.241 -12.265 1.00 3.68 H new ATOM 1641 N PRO A 99 -9.520 20.747 -4.979 1.00 3.57 N ATOM 1642 CA PRO A 99 -8.416 21.702 -4.961 1.00 4.60 C ATOM 1643 C PRO A 99 -7.471 21.546 -6.155 1.00 4.87 C ATOM 1644 O PRO A 99 -6.630 22.408 -6.407 1.00 5.78 O ATOM 1645 CB PRO A 99 -7.703 21.363 -3.652 1.00 5.30 C ATOM 1646 CG PRO A 99 -7.943 19.901 -3.446 1.00 4.88 C ATOM 1647 CD PRO A 99 -9.226 19.551 -4.165 1.00 3.76 C ATOM 0 HA PRO A 99 -8.762 22.734 -5.028 1.00 4.60 H new ATOM 0 HB2 PRO A 99 -6.637 21.583 -3.715 1.00 5.30 H new ATOM 0 HB3 PRO A 99 -8.101 21.949 -2.823 1.00 5.30 H new ATOM 0 HG2 PRO A 99 -7.111 19.316 -3.838 1.00 4.88 H new ATOM 0 HG3 PRO A 99 -8.023 19.670 -2.384 1.00 4.88 H new ATOM 0 HD2 PRO A 99 -9.105 18.665 -4.788 1.00 3.76 H new ATOM 0 HD3 PRO A 99 -10.032 19.339 -3.462 1.00 3.76 H new ATOM 1655 N LEU A 100 -7.618 20.443 -6.889 1.00 4.16 N ATOM 1656 CA LEU A 100 -6.785 20.179 -8.057 1.00 4.45 C ATOM 1657 C LEU A 100 -7.647 19.978 -9.302 1.00 4.49 C ATOM 1658 O LEU A 100 -8.722 19.385 -9.228 1.00 4.18 O ATOM 1659 CB LEU A 100 -5.905 18.949 -7.822 1.00 4.19 C ATOM 1660 CG LEU A 100 -4.626 19.211 -7.025 1.00 4.60 C ATOM 1661 CD1 LEU A 100 -4.743 18.651 -5.617 1.00 4.86 C ATOM 1662 CD2 LEU A 100 -3.427 18.617 -7.744 1.00 4.95 C ATOM 0 H LEU A 100 -8.308 19.718 -6.693 1.00 4.16 H new ATOM 0 HA LEU A 100 -6.142 21.044 -8.217 1.00 4.45 H new ATOM 0 HB2 LEU A 100 -6.493 18.195 -7.299 1.00 4.19 H new ATOM 0 HB3 LEU A 100 -5.632 18.526 -8.789 1.00 4.19 H new ATOM 0 HG LEU A 100 -4.483 20.289 -6.946 1.00 4.60 H new ATOM 0 HD11 LEU A 100 -3.822 18.849 -5.069 1.00 4.86 H new ATOM 0 HD12 LEU A 100 -5.579 19.126 -5.105 1.00 4.86 H new ATOM 0 HD13 LEU A 100 -4.912 17.575 -5.666 1.00 4.86 H new ATOM 0 HD21 LEU A 100 -2.523 18.811 -7.166 1.00 4.95 H new ATOM 0 HD22 LEU A 100 -3.564 17.541 -7.853 1.00 4.95 H new ATOM 0 HD23 LEU A 100 -3.332 19.072 -8.730 1.00 4.95 H new ATOM 1674 N PRO A 101 -7.172 20.461 -10.467 1.00 5.19 N ATOM 1675 CA PRO A 101 -7.907 20.350 -11.739 1.00 5.67 C ATOM 1676 C PRO A 101 -8.004 18.910 -12.255 1.00 5.64 C ATOM 1677 O PRO A 101 -7.230 18.042 -11.846 1.00 5.32 O ATOM 1678 CB PRO A 101 -7.078 21.215 -12.695 1.00 6.54 C ATOM 1679 CG PRO A 101 -5.702 21.186 -12.130 1.00 6.50 C ATOM 1680 CD PRO A 101 -5.876 21.146 -10.639 1.00 5.81 C ATOM 0 HA PRO A 101 -8.944 20.669 -11.636 1.00 5.67 H new ATOM 0 HB2 PRO A 101 -7.099 20.816 -13.709 1.00 6.54 H new ATOM 0 HB3 PRO A 101 -7.465 22.233 -12.745 1.00 6.54 H new ATOM 0 HG2 PRO A 101 -5.152 20.314 -12.484 1.00 6.50 H new ATOM 0 HG3 PRO A 101 -5.135 22.066 -12.435 1.00 6.50 H new ATOM 0 HD2 PRO A 101 -5.066 20.602 -10.154 1.00 5.81 H new ATOM 0 HD3 PRO A 101 -5.890 22.147 -10.209 1.00 5.81 H new ATOM 1688 N PRO A 102 -8.974 18.636 -13.158 1.00 6.15 N ATOM 1689 CA PRO A 102 -9.176 17.296 -13.732 1.00 6.45 C ATOM 1690 C PRO A 102 -8.103 16.893 -14.750 1.00 6.96 C ATOM 1691 O PRO A 102 -8.145 15.788 -15.292 1.00 7.31 O ATOM 1692 CB PRO A 102 -10.540 17.405 -14.417 1.00 7.14 C ATOM 1693 CG PRO A 102 -10.688 18.848 -14.750 1.00 7.42 C ATOM 1694 CD PRO A 102 -9.965 19.607 -13.670 1.00 6.66 C ATOM 0 HA PRO A 102 -9.118 16.528 -12.961 1.00 6.45 H new ATOM 0 HB2 PRO A 102 -10.582 16.786 -15.314 1.00 7.14 H new ATOM 0 HB3 PRO A 102 -11.341 17.067 -13.759 1.00 7.14 H new ATOM 0 HG2 PRO A 102 -10.263 19.066 -15.730 1.00 7.42 H new ATOM 0 HG3 PRO A 102 -11.740 19.132 -14.788 1.00 7.42 H new ATOM 0 HD2 PRO A 102 -9.482 20.501 -14.064 1.00 6.66 H new ATOM 0 HD3 PRO A 102 -10.647 19.933 -12.885 1.00 6.66 H new ATOM 1702 N ILE A 103 -7.148 17.789 -15.009 1.00 7.14 N ATOM 1703 CA ILE A 103 -6.072 17.506 -15.957 1.00 7.71 C ATOM 1704 C ILE A 103 -5.009 16.600 -15.324 1.00 7.31 C ATOM 1705 O ILE A 103 -4.375 15.799 -16.012 1.00 7.64 O ATOM 1706 CB ILE A 103 -5.420 18.810 -16.493 1.00 8.28 C ATOM 1707 CG1 ILE A 103 -4.335 18.493 -17.530 1.00 9.04 C ATOM 1708 CG2 ILE A 103 -4.847 19.646 -15.354 1.00 8.23 C ATOM 1709 CD1 ILE A 103 -3.768 19.721 -18.212 1.00 9.66 C ATOM 0 H ILE A 103 -7.099 18.712 -14.577 1.00 7.14 H new ATOM 0 HA ILE A 103 -6.517 16.983 -16.804 1.00 7.71 H new ATOM 0 HB ILE A 103 -6.199 19.395 -16.982 1.00 8.28 H new ATOM 0 HG12 ILE A 103 -3.524 17.953 -17.041 1.00 9.04 H new ATOM 0 HG13 ILE A 103 -4.751 17.828 -18.286 1.00 9.04 H new ATOM 0 HG21 ILE A 103 -4.397 20.553 -15.759 1.00 8.23 H new ATOM 0 HG22 ILE A 103 -5.646 19.915 -14.662 1.00 8.23 H new ATOM 0 HG23 ILE A 103 -4.088 19.069 -14.825 1.00 8.23 H new ATOM 0 HD11 ILE A 103 -3.007 19.419 -18.931 1.00 9.66 H new ATOM 0 HD12 ILE A 103 -4.567 20.251 -18.730 1.00 9.66 H new ATOM 0 HD13 ILE A 103 -3.321 20.378 -17.466 1.00 9.66 H new ATOM 1721 N LYS A 104 -4.830 16.719 -14.006 1.00 6.73 N ATOM 1722 CA LYS A 104 -3.857 15.902 -13.287 1.00 6.37 C ATOM 1723 C LYS A 104 -4.527 15.146 -12.138 1.00 5.89 C ATOM 1724 O LYS A 104 -4.492 15.589 -10.987 1.00 5.68 O ATOM 1725 CB LYS A 104 -2.715 16.771 -12.745 1.00 6.44 C ATOM 1726 CG LYS A 104 -1.905 17.476 -13.825 1.00 6.74 C ATOM 1727 CD LYS A 104 -1.194 16.483 -14.729 1.00 7.08 C ATOM 1728 CE LYS A 104 -0.328 17.187 -15.759 1.00 7.57 C ATOM 1729 NZ LYS A 104 0.377 16.220 -16.643 1.00 8.00 N ATOM 0 H LYS A 104 -5.347 17.373 -13.418 1.00 6.73 H new ATOM 0 HA LYS A 104 -3.444 15.177 -13.989 1.00 6.37 H new ATOM 0 HB2 LYS A 104 -3.131 17.520 -12.071 1.00 6.44 H new ATOM 0 HB3 LYS A 104 -2.046 16.146 -12.154 1.00 6.44 H new ATOM 0 HG2 LYS A 104 -2.564 18.105 -14.423 1.00 6.74 H new ATOM 0 HG3 LYS A 104 -1.172 18.134 -13.359 1.00 6.74 H new ATOM 0 HD2 LYS A 104 -0.576 15.819 -14.126 1.00 7.08 H new ATOM 0 HD3 LYS A 104 -1.930 15.860 -15.236 1.00 7.08 H new ATOM 0 HE2 LYS A 104 -0.948 17.848 -16.365 1.00 7.57 H new ATOM 0 HE3 LYS A 104 0.404 17.815 -15.250 1.00 7.57 H new ATOM 0 HZ1 LYS A 104 0.958 16.739 -17.332 1.00 8.00 H new ATOM 0 HZ2 LYS A 104 0.988 15.606 -16.068 1.00 8.00 H new ATOM 0 HZ3 LYS A 104 -0.322 15.638 -17.148 1.00 8.00 H new ATOM 1743 N PRO A 105 -5.162 13.998 -12.438 1.00 5.95 N ATOM 1744 CA PRO A 105 -5.842 13.184 -11.429 1.00 5.79 C ATOM 1745 C PRO A 105 -4.901 12.250 -10.661 1.00 5.46 C ATOM 1746 O PRO A 105 -5.195 11.864 -9.530 1.00 5.28 O ATOM 1747 CB PRO A 105 -6.834 12.376 -12.261 1.00 6.33 C ATOM 1748 CG PRO A 105 -6.168 12.205 -13.587 1.00 6.61 C ATOM 1749 CD PRO A 105 -5.290 13.418 -13.790 1.00 6.47 C ATOM 0 HA PRO A 105 -6.296 13.801 -10.653 1.00 5.79 H new ATOM 0 HB2 PRO A 105 -7.047 11.413 -11.798 1.00 6.33 H new ATOM 0 HB3 PRO A 105 -7.785 12.899 -12.360 1.00 6.33 H new ATOM 0 HG2 PRO A 105 -5.576 11.290 -13.608 1.00 6.61 H new ATOM 0 HG3 PRO A 105 -6.907 12.124 -14.384 1.00 6.61 H new ATOM 0 HD2 PRO A 105 -4.318 13.143 -14.200 1.00 6.47 H new ATOM 0 HD3 PRO A 105 -5.741 14.125 -14.486 1.00 6.47 H new ATOM 1757 N ARG A 106 -3.774 11.889 -11.274 1.00 5.56 N ATOM 1758 CA ARG A 106 -2.815 10.991 -10.635 1.00 5.43 C ATOM 1759 C ARG A 106 -1.474 11.681 -10.393 1.00 5.72 C ATOM 1760 O ARG A 106 -1.092 11.929 -9.248 1.00 6.01 O ATOM 1761 CB ARG A 106 -2.602 9.739 -11.495 1.00 5.69 C ATOM 1762 CG ARG A 106 -3.851 8.883 -11.669 1.00 6.20 C ATOM 1763 CD ARG A 106 -4.113 8.001 -10.455 1.00 6.57 C ATOM 1764 NE ARG A 106 -4.715 8.743 -9.348 1.00 6.84 N ATOM 1765 CZ ARG A 106 -5.958 8.550 -8.909 1.00 7.39 C ATOM 1766 NH1 ARG A 106 -6.744 7.646 -9.486 1.00 7.71 N ATOM 1767 NH2 ARG A 106 -6.418 9.265 -7.891 1.00 7.84 N ATOM 0 H ARG A 106 -3.505 12.203 -12.206 1.00 5.56 H new ATOM 0 HA ARG A 106 -3.230 10.703 -9.669 1.00 5.43 H new ATOM 0 HB2 ARG A 106 -2.244 10.044 -12.478 1.00 5.69 H new ATOM 0 HB3 ARG A 106 -1.818 9.131 -11.044 1.00 5.69 H new ATOM 0 HG2 ARG A 106 -4.712 9.529 -11.840 1.00 6.20 H new ATOM 0 HG3 ARG A 106 -3.741 8.257 -12.555 1.00 6.20 H new ATOM 0 HD2 ARG A 106 -4.772 7.181 -10.740 1.00 6.57 H new ATOM 0 HD3 ARG A 106 -3.175 7.556 -10.123 1.00 6.57 H new ATOM 0 HE ARG A 106 -4.148 9.452 -8.883 1.00 6.84 H new ATOM 0 HH11 ARG A 106 -6.396 7.094 -10.270 1.00 7.71 H new ATOM 0 HH12 ARG A 106 -7.694 7.504 -9.144 1.00 7.71 H new ATOM 0 HH21 ARG A 106 -5.820 9.961 -7.446 1.00 7.84 H new ATOM 0 HH22 ARG A 106 -7.369 9.119 -7.554 1.00 7.84 H new ATOM 1781 N LYS A 107 -0.766 11.986 -11.476 1.00 5.92 N ATOM 1782 CA LYS A 107 0.537 12.635 -11.385 1.00 6.42 C ATOM 1783 C LYS A 107 0.452 14.093 -11.824 1.00 6.87 C ATOM 1784 O LYS A 107 0.147 14.950 -10.968 1.00 7.06 O ATOM 1785 CB LYS A 107 1.558 11.887 -12.245 1.00 6.74 C ATOM 1786 CG LYS A 107 1.612 10.394 -11.964 1.00 7.12 C ATOM 1787 CD LYS A 107 2.593 9.688 -12.886 1.00 7.73 C ATOM 1788 CE LYS A 107 2.449 8.176 -12.803 1.00 8.18 C ATOM 1789 NZ LYS A 107 2.682 7.671 -11.421 1.00 8.47 N ATOM 1790 OXT LYS A 107 0.690 14.367 -13.020 1.00 7.27 O ATOM 0 H LYS A 107 -1.074 11.793 -12.429 1.00 5.92 H new ATOM 0 HA LYS A 107 0.859 12.610 -10.344 1.00 6.42 H new ATOM 0 HB2 LYS A 107 1.318 12.042 -13.297 1.00 6.74 H new ATOM 0 HB3 LYS A 107 2.546 12.316 -12.077 1.00 6.74 H new ATOM 0 HG2 LYS A 107 1.903 10.228 -10.927 1.00 7.12 H new ATOM 0 HG3 LYS A 107 0.619 9.963 -12.089 1.00 7.12 H new ATOM 0 HD2 LYS A 107 2.428 10.014 -13.913 1.00 7.73 H new ATOM 0 HD3 LYS A 107 3.611 9.972 -12.621 1.00 7.73 H new ATOM 0 HE2 LYS A 107 1.450 7.888 -13.131 1.00 8.18 H new ATOM 0 HE3 LYS A 107 3.157 7.706 -13.486 1.00 8.18 H new ATOM 0 HZ1 LYS A 107 3.324 6.854 -11.454 1.00 8.47 H new ATOM 0 HZ2 LYS A 107 3.108 8.424 -10.844 1.00 8.47 H new ATOM 0 HZ3 LYS A 107 1.776 7.383 -10.999 1.00 8.47 H new TER 1804 LYS A 107 ATOM 1805 OP3 DT B 1 -6.568 -24.174 -11.367 1.00 2.61 O ATOM 1806 P DT B 1 -7.478 -25.031 -10.378 1.00 2.20 P ATOM 1807 OP1 DT B 1 -7.568 -26.413 -10.913 1.00 2.80 O ATOM 1808 OP2 DT B 1 -7.012 -24.809 -8.985 1.00 2.56 O ATOM 1809 O5' DT B 1 -8.905 -24.342 -10.536 1.00 2.08 O ATOM 1810 C5' DT B 1 -9.603 -24.373 -11.776 1.00 2.25 C ATOM 1811 C4' DT B 1 -10.080 -22.983 -12.138 1.00 2.22 C ATOM 1812 O4' DT B 1 -10.989 -22.538 -11.096 1.00 2.06 O ATOM 1813 C3' DT B 1 -8.950 -21.956 -12.148 1.00 2.18 C ATOM 1814 O3' DT B 1 -9.227 -20.802 -12.953 1.00 2.29 O ATOM 1815 C2' DT B 1 -8.886 -21.511 -10.703 1.00 1.96 C ATOM 1816 C1' DT B 1 -10.350 -21.548 -10.295 1.00 1.91 C ATOM 1817 N1 DT B 1 -10.572 -21.829 -8.859 1.00 1.72 N ATOM 1818 C2 DT B 1 -10.698 -20.719 -8.053 1.00 1.61 C ATOM 1819 O2 DT B 1 -10.663 -19.578 -8.489 1.00 1.71 O ATOM 1820 N3 DT B 1 -10.871 -20.983 -6.727 1.00 1.49 N ATOM 1821 C4 DT B 1 -10.940 -22.212 -6.122 1.00 1.49 C ATOM 1822 O4 DT B 1 -11.098 -22.275 -4.904 1.00 1.48 O ATOM 1823 C5 DT B 1 -10.807 -23.352 -7.020 1.00 1.64 C ATOM 1824 C7 DT B 1 -10.804 -24.736 -6.441 1.00 1.78 C ATOM 1825 C6 DT B 1 -10.637 -23.108 -8.334 1.00 1.74 C ATOM 0 H5' DT B 1 -10.453 -25.051 -11.707 1.00 2.25 H new ATOM 0 H5'' DT B 1 -8.951 -24.758 -12.560 1.00 2.25 H new ATOM 0 H4' DT B 1 -10.528 -23.046 -13.130 1.00 2.22 H new ATOM 0 H3' DT B 1 -8.039 -22.392 -12.557 1.00 2.18 H new ATOM 0 H2' DT B 1 -8.277 -22.181 -10.097 1.00 1.96 H new ATOM 0 H2'' DT B 1 -8.460 -20.513 -10.602 1.00 1.96 H new ATOM 0 H1' DT B 1 -10.771 -20.555 -10.456 1.00 1.91 H new ATOM 0 H3 DT B 1 -10.959 -20.173 -6.114 1.00 1.49 H new ATOM 0 H71 DT B 1 -11.222 -25.434 -7.166 1.00 1.78 H new ATOM 0 H72 DT B 1 -9.781 -25.029 -6.203 1.00 1.78 H new ATOM 0 H73 DT B 1 -11.406 -24.752 -5.533 1.00 1.78 H new ATOM 0 H6 DT B 1 -10.547 -23.948 -9.007 1.00 1.74 H new ATOM 1839 P DA B 2 -8.148 -19.599 -12.985 1.00 2.27 P ATOM 1840 OP1 DA B 2 -8.177 -18.843 -14.253 1.00 2.47 O ATOM 1841 OP2 DA B 2 -6.850 -20.219 -12.626 1.00 2.19 O ATOM 1842 O5' DA B 2 -8.643 -18.675 -11.785 1.00 2.12 O ATOM 1843 C5' DA B 2 -10.038 -18.283 -11.732 1.00 2.18 C ATOM 1844 C4' DA B 2 -10.158 -16.893 -11.155 1.00 2.16 C ATOM 1845 O4' DA B 2 -10.077 -16.982 -9.697 1.00 1.98 O ATOM 1846 C3' DA B 2 -9.056 -15.904 -11.532 1.00 2.19 C ATOM 1847 O3' DA B 2 -9.488 -14.549 -11.426 1.00 2.28 O ATOM 1848 C2' DA B 2 -7.987 -16.173 -10.487 1.00 1.97 C ATOM 1849 C1' DA B 2 -8.822 -16.503 -9.258 1.00 1.86 C ATOM 1850 N9 DA B 2 -8.218 -17.548 -8.385 1.00 1.69 N ATOM 1851 C8 DA B 2 -7.524 -18.667 -8.759 1.00 1.68 C ATOM 1852 N7 DA B 2 -7.127 -19.391 -7.756 1.00 1.57 N ATOM 1853 C5 DA B 2 -7.575 -18.696 -6.647 1.00 1.48 C ATOM 1854 C6 DA B 2 -7.473 -18.947 -5.263 1.00 1.40 C ATOM 1855 N6 DA B 2 -6.843 -20.019 -4.757 1.00 1.38 N ATOM 1856 N1 DA B 2 -8.041 -18.059 -4.430 1.00 1.40 N ATOM 1857 C2 DA B 2 -8.661 -17.001 -4.945 1.00 1.49 C ATOM 1858 N3 DA B 2 -8.830 -16.661 -6.204 1.00 1.58 N ATOM 1859 C4 DA B 2 -8.254 -17.569 -7.013 1.00 1.56 C ATOM 0 H5' DA B 2 -10.601 -18.990 -11.122 1.00 2.18 H new ATOM 0 H5'' DA B 2 -10.471 -18.310 -12.732 1.00 2.18 H new ATOM 0 H4' DA B 2 -11.101 -16.525 -11.560 1.00 2.16 H new ATOM 0 H3' DA B 2 -8.728 -16.033 -12.564 1.00 2.19 H new ATOM 0 H2' DA B 2 -7.336 -17.000 -10.772 1.00 1.97 H new ATOM 0 H2'' DA B 2 -7.347 -15.305 -10.325 1.00 1.97 H new ATOM 0 H1' DA B 2 -8.895 -15.589 -8.668 1.00 1.86 H new ATOM 0 H8 DA B 2 -7.325 -18.923 -9.789 1.00 1.68 H new ATOM 0 H61 DA B 2 -6.798 -20.154 -3.747 1.00 1.38 H new ATOM 0 H62 DA B 2 -6.410 -20.698 -5.383 1.00 1.38 H new ATOM 0 H2 DA B 2 -9.089 -16.321 -4.223 1.00 1.49 H new ATOM 1871 P DC B 3 -8.409 -13.401 -11.182 1.00 2.25 P ATOM 1872 OP1 DC B 3 -8.858 -12.150 -11.824 1.00 2.46 O ATOM 1873 OP2 DC B 3 -7.071 -13.894 -11.590 1.00 2.18 O ATOM 1874 O5' DC B 3 -8.458 -13.250 -9.595 1.00 2.07 O ATOM 1875 C5' DC B 3 -9.749 -13.165 -8.941 1.00 2.12 C ATOM 1876 C4' DC B 3 -9.655 -12.254 -7.738 1.00 2.08 C ATOM 1877 O4' DC B 3 -9.085 -13.010 -6.625 1.00 1.87 O ATOM 1878 C3' DC B 3 -8.738 -11.040 -7.878 1.00 2.12 C ATOM 1879 O3' DC B 3 -9.096 -9.991 -6.983 1.00 2.20 O ATOM 1880 C2' DC B 3 -7.379 -11.595 -7.482 1.00 1.90 C ATOM 1881 C1' DC B 3 -7.750 -12.601 -6.399 1.00 1.76 C ATOM 1882 N1 DC B 3 -6.895 -13.819 -6.395 1.00 1.58 N ATOM 1883 C2 DC B 3 -6.551 -14.369 -5.162 1.00 1.43 C ATOM 1884 O2 DC B 3 -6.962 -13.823 -4.128 1.00 1.46 O ATOM 1885 N3 DC B 3 -5.771 -15.477 -5.137 1.00 1.31 N ATOM 1886 C4 DC B 3 -5.343 -16.042 -6.273 1.00 1.34 C ATOM 1887 N4 DC B 3 -4.589 -17.125 -6.189 1.00 1.29 N ATOM 1888 C5 DC B 3 -5.679 -15.493 -7.550 1.00 1.50 C ATOM 1889 C6 DC B 3 -6.465 -14.382 -7.553 1.00 1.61 C ATOM 0 H5' DC B 3 -10.076 -14.158 -8.632 1.00 2.12 H new ATOM 0 H5'' DC B 3 -10.496 -12.786 -9.638 1.00 2.12 H new ATOM 0 H4' DC B 3 -10.675 -11.896 -7.600 1.00 2.08 H new ATOM 0 H3' DC B 3 -8.781 -10.608 -8.878 1.00 2.12 H new ATOM 0 H2' DC B 3 -6.871 -12.069 -8.322 1.00 1.90 H new ATOM 0 H2'' DC B 3 -6.715 -10.817 -7.106 1.00 1.90 H new ATOM 0 H1' DC B 3 -7.611 -12.105 -5.438 1.00 1.76 H new ATOM 0 H41 DC B 3 -4.249 -17.577 -7.038 1.00 1.29 H new ATOM 0 H42 DC B 3 -4.348 -17.509 -5.275 1.00 1.29 H new ATOM 0 H5 DC B 3 -5.326 -15.939 -8.468 1.00 1.50 H new ATOM 0 H6 DC B 3 -6.752 -13.939 -8.495 1.00 1.61 H new ATOM 1901 P DA B 4 -7.989 -8.937 -6.530 1.00 2.17 P ATOM 1902 OP1 DA B 4 -8.618 -7.623 -6.290 1.00 2.39 O ATOM 1903 OP2 DA B 4 -6.872 -8.951 -7.507 1.00 2.13 O ATOM 1904 O5' DA B 4 -7.494 -9.567 -5.151 1.00 1.97 O ATOM 1905 C5' DA B 4 -8.486 -10.013 -4.194 1.00 2.00 C ATOM 1906 C4' DA B 4 -7.981 -9.781 -2.789 1.00 1.94 C ATOM 1907 O4' DA B 4 -7.074 -10.870 -2.432 1.00 1.72 O ATOM 1908 C3' DA B 4 -7.156 -8.516 -2.565 1.00 1.99 C ATOM 1909 O3' DA B 4 -7.180 -8.089 -1.205 1.00 2.06 O ATOM 1910 C2' DA B 4 -5.749 -8.961 -2.926 1.00 1.77 C ATOM 1911 C1' DA B 4 -5.739 -10.406 -2.441 1.00 1.61 C ATOM 1912 N9 DA B 4 -4.944 -11.322 -3.302 1.00 1.44 N ATOM 1913 C8 DA B 4 -4.828 -11.315 -4.665 1.00 1.47 C ATOM 1914 N7 DA B 4 -4.057 -12.254 -5.126 1.00 1.33 N ATOM 1915 C5 DA B 4 -3.625 -12.915 -3.990 1.00 1.19 C ATOM 1916 C6 DA B 4 -2.775 -14.025 -3.800 1.00 1.06 C ATOM 1917 N6 DA B 4 -2.179 -14.674 -4.814 1.00 1.05 N ATOM 1918 N1 DA B 4 -2.563 -14.432 -2.540 1.00 1.02 N ATOM 1919 C2 DA B 4 -3.158 -13.782 -1.545 1.00 1.11 C ATOM 1920 N3 DA B 4 -3.970 -12.749 -1.589 1.00 1.24 N ATOM 1921 C4 DA B 4 -4.165 -12.364 -2.866 1.00 1.26 C ATOM 0 H5' DA B 4 -8.699 -11.071 -4.344 1.00 2.00 H new ATOM 0 H5'' DA B 4 -9.421 -9.475 -4.348 1.00 2.00 H new ATOM 0 H4' DA B 4 -8.892 -9.704 -2.195 1.00 1.94 H new ATOM 0 H3' DA B 4 -7.533 -7.675 -3.147 1.00 1.99 H new ATOM 0 H2' DA B 4 -5.561 -8.889 -3.997 1.00 1.77 H new ATOM 0 H2'' DA B 4 -4.990 -8.358 -2.428 1.00 1.77 H new ATOM 0 H1' DA B 4 -5.277 -10.410 -1.454 1.00 1.61 H new ATOM 0 H8 DA B 4 -5.329 -10.598 -5.298 1.00 1.47 H new ATOM 0 H61 DA B 4 -1.573 -15.472 -4.623 1.00 1.05 H new ATOM 0 H62 DA B 4 -2.333 -14.369 -5.775 1.00 1.05 H new ATOM 0 H2 DA B 4 -2.943 -14.157 -0.555 1.00 1.11 H new ATOM 1933 P DA B 5 -5.977 -7.211 -0.640 1.00 2.04 P ATOM 1934 OP1 DA B 5 -6.476 -6.292 0.403 1.00 2.25 O ATOM 1935 OP2 DA B 5 -5.256 -6.580 -1.771 1.00 2.01 O ATOM 1936 O5' DA B 5 -5.048 -8.330 0.020 1.00 1.83 O ATOM 1937 C5' DA B 5 -5.661 -9.333 0.868 1.00 1.84 C ATOM 1938 C4' DA B 5 -4.708 -9.716 1.977 1.00 1.79 C ATOM 1939 O4' DA B 5 -3.742 -10.681 1.449 1.00 1.56 O ATOM 1940 C3' DA B 5 -3.845 -8.593 2.548 1.00 1.85 C ATOM 1941 O3' DA B 5 -3.401 -8.875 3.872 1.00 1.93 O ATOM 1942 C2' DA B 5 -2.647 -8.578 1.612 1.00 1.64 C ATOM 1943 C1' DA B 5 -2.485 -10.056 1.279 1.00 1.47 C ATOM 1944 N9 DA B 5 -2.037 -10.309 -0.117 1.00 1.29 N ATOM 1945 C8 DA B 5 -2.390 -9.640 -1.257 1.00 1.33 C ATOM 1946 N7 DA B 5 -1.831 -10.108 -2.332 1.00 1.20 N ATOM 1947 C5 DA B 5 -1.044 -11.147 -1.870 1.00 1.03 C ATOM 1948 C6 DA B 5 -0.189 -12.057 -2.523 1.00 0.89 C ATOM 1949 N6 DA B 5 0.022 -12.040 -3.849 1.00 0.91 N ATOM 1950 N1 DA B 5 0.433 -12.975 -1.769 1.00 0.84 N ATOM 1951 C2 DA B 5 0.217 -12.980 -0.455 1.00 0.93 C ATOM 1952 N3 DA B 5 -0.553 -12.197 0.268 1.00 1.07 N ATOM 1953 C4 DA B 5 -1.165 -11.291 -0.517 1.00 1.10 C ATOM 0 H5' DA B 5 -5.920 -10.212 0.278 1.00 1.84 H new ATOM 0 H5'' DA B 5 -6.589 -8.948 1.290 1.00 1.84 H new ATOM 0 H4' DA B 5 -5.362 -10.079 2.770 1.00 1.79 H new ATOM 0 H3' DA B 5 -4.390 -7.651 2.609 1.00 1.85 H new ATOM 0 H2' DA B 5 -2.833 -7.977 0.722 1.00 1.64 H new ATOM 0 H2'' DA B 5 -1.759 -8.169 2.093 1.00 1.64 H new ATOM 0 H1' DA B 5 -1.717 -10.452 1.943 1.00 1.47 H new ATOM 0 H8 DA B 5 -3.070 -8.801 -1.263 1.00 1.33 H new ATOM 0 H61 DA B 5 0.651 -12.721 -4.274 1.00 0.91 H new ATOM 0 H62 DA B 5 -0.447 -11.346 -4.431 1.00 0.91 H new ATOM 0 H2 DA B 5 0.753 -13.738 0.097 1.00 0.93 H new ATOM 1965 P DT B 6 -2.069 -8.186 4.415 1.00 1.92 P ATOM 1966 OP1 DT B 6 -2.178 -7.967 5.871 1.00 2.14 O ATOM 1967 OP2 DT B 6 -1.772 -6.985 3.597 1.00 1.89 O ATOM 1968 O5' DT B 6 -0.984 -9.314 4.112 1.00 1.71 O ATOM 1969 C5' DT B 6 -1.280 -10.685 4.480 1.00 1.72 C ATOM 1970 C4' DT B 6 -0.011 -11.386 4.906 1.00 1.68 C ATOM 1971 O4' DT B 6 0.711 -11.812 3.707 1.00 1.45 O ATOM 1972 C3' DT B 6 1.005 -10.543 5.675 1.00 1.76 C ATOM 1973 O3' DT B 6 1.869 -11.344 6.480 1.00 1.86 O ATOM 1974 C2' DT B 6 1.815 -9.892 4.566 1.00 1.55 C ATOM 1975 C1' DT B 6 1.840 -10.986 3.506 1.00 1.36 C ATOM 1976 N1 DT B 6 1.786 -10.471 2.112 1.00 1.16 N ATOM 1977 C2 DT B 6 2.545 -11.128 1.167 1.00 0.98 C ATOM 1978 O2 DT B 6 3.241 -12.092 1.433 1.00 0.99 O ATOM 1979 N3 DT B 6 2.463 -10.616 -0.114 1.00 0.85 N ATOM 1980 C4 DT B 6 1.714 -9.537 -0.521 1.00 0.93 C ATOM 1981 O4 DT B 6 1.721 -9.169 -1.702 1.00 0.91 O ATOM 1982 C5 DT B 6 0.958 -8.910 0.537 1.00 1.14 C ATOM 1983 C7 DT B 6 0.119 -7.733 0.136 1.00 1.31 C ATOM 1984 C6 DT B 6 1.007 -9.386 1.797 1.00 1.23 C ATOM 0 H5' DT B 6 -1.730 -11.209 3.636 1.00 1.72 H new ATOM 0 H5'' DT B 6 -2.007 -10.704 5.292 1.00 1.72 H new ATOM 0 H4' DT B 6 -0.361 -12.182 5.563 1.00 1.68 H new ATOM 0 H3' DT B 6 0.522 -9.844 6.358 1.00 1.76 H new ATOM 0 H2' DT B 6 1.345 -8.980 4.199 1.00 1.55 H new ATOM 0 H2'' DT B 6 2.818 -9.623 4.898 1.00 1.55 H new ATOM 0 H1' DT B 6 2.785 -11.518 3.616 1.00 1.36 H new ATOM 0 H3 DT B 6 3.015 -11.087 -0.831 1.00 0.85 H new ATOM 0 H71 DT B 6 0.586 -7.223 -0.706 1.00 1.31 H new ATOM 0 H72 DT B 6 -0.874 -8.076 -0.153 1.00 1.31 H new ATOM 0 H73 DT B 6 0.035 -7.043 0.976 1.00 1.31 H new ATOM 0 H6 DT B 6 0.425 -8.907 2.570 1.00 1.23 H new ATOM 1997 P DA B 7 3.312 -10.788 6.867 1.00 1.87 P ATOM 1998 OP1 DA B 7 3.705 -11.307 8.193 1.00 2.11 O ATOM 1999 OP2 DA B 7 3.325 -9.312 6.719 1.00 1.84 O ATOM 2000 O5' DA B 7 4.220 -11.444 5.733 1.00 1.65 O ATOM 2001 C5' DA B 7 4.055 -12.852 5.433 1.00 1.65 C ATOM 2002 C4' DA B 7 5.387 -13.453 5.049 1.00 1.62 C ATOM 2003 O4' DA B 7 5.656 -13.136 3.645 1.00 1.37 O ATOM 2004 C3' DA B 7 6.610 -12.925 5.794 1.00 1.73 C ATOM 2005 O3' DA B 7 7.690 -13.856 5.789 1.00 1.83 O ATOM 2006 C2' DA B 7 7.003 -11.703 4.980 1.00 1.51 C ATOM 2007 C1' DA B 7 6.657 -12.142 3.563 1.00 1.30 C ATOM 2008 N9 DA B 7 6.137 -11.043 2.704 1.00 1.09 N ATOM 2009 C8 DA B 7 5.311 -10.010 3.057 1.00 1.14 C ATOM 2010 N7 DA B 7 5.030 -9.210 2.073 1.00 0.99 N ATOM 2011 C5 DA B 7 5.728 -9.742 1.003 1.00 0.80 C ATOM 2012 C6 DA B 7 5.842 -9.351 -0.347 1.00 0.64 C ATOM 2013 N6 DA B 7 5.228 -8.269 -0.851 1.00 0.69 N ATOM 2014 N1 DA B 7 6.607 -10.109 -1.147 1.00 0.57 N ATOM 2015 C2 DA B 7 7.212 -11.178 -0.636 1.00 0.68 C ATOM 2016 N3 DA B 7 7.180 -11.648 0.592 1.00 0.84 N ATOM 2017 C4 DA B 7 6.404 -10.870 1.369 1.00 0.88 C ATOM 0 H5' DA B 7 3.341 -12.979 4.620 1.00 1.65 H new ATOM 0 H5'' DA B 7 3.647 -13.372 6.299 1.00 1.65 H new ATOM 0 H4' DA B 7 5.273 -14.510 5.288 1.00 1.62 H new ATOM 0 H3' DA B 7 6.391 -12.726 6.843 1.00 1.73 H new ATOM 0 H2' DA B 7 6.445 -10.816 5.280 1.00 1.51 H new ATOM 0 H2'' DA B 7 8.061 -11.465 5.086 1.00 1.51 H new ATOM 0 H1' DA B 7 7.579 -12.501 3.106 1.00 1.30 H new ATOM 0 H8 DA B 7 4.929 -9.873 4.058 1.00 1.14 H new ATOM 0 H61 DA B 7 5.343 -8.030 -1.836 1.00 0.69 H new ATOM 0 H62 DA B 7 4.646 -7.686 -0.249 1.00 0.69 H new ATOM 0 H2 DA B 7 7.817 -11.742 -1.330 1.00 0.68 H new ATOM 2029 P DT B 8 9.185 -13.325 5.953 1.00 1.86 P ATOM 2030 OP1 DT B 8 9.999 -14.337 6.653 1.00 2.10 O ATOM 2031 OP2 DT B 8 9.157 -11.977 6.569 1.00 1.84 O ATOM 2032 O5' DT B 8 9.648 -13.206 4.432 1.00 1.63 O ATOM 2033 C5' DT B 8 9.378 -14.310 3.532 1.00 1.61 C ATOM 2034 C4' DT B 8 10.496 -14.429 2.522 1.00 1.57 C ATOM 2035 O4' DT B 8 10.275 -13.445 1.462 1.00 1.32 O ATOM 2036 C3' DT B 8 11.903 -14.125 3.030 1.00 1.70 C ATOM 2037 O3' DT B 8 12.908 -14.752 2.236 1.00 1.78 O ATOM 2038 C2' DT B 8 12.006 -12.618 2.864 1.00 1.49 C ATOM 2039 C1' DT B 8 11.198 -12.382 1.594 1.00 1.26 C ATOM 2040 N1 DT B 8 10.427 -11.109 1.603 1.00 1.06 N ATOM 2041 C2 DT B 8 10.342 -10.414 0.414 1.00 0.85 C ATOM 2042 O2 DT B 8 10.867 -10.803 -0.615 1.00 0.85 O ATOM 2043 N3 DT B 8 9.616 -9.241 0.468 1.00 0.71 N ATOM 2044 C4 DT B 8 8.989 -8.714 1.573 1.00 0.82 C ATOM 2045 O4 DT B 8 8.365 -7.648 1.500 1.00 0.80 O ATOM 2046 C5 DT B 8 9.136 -9.505 2.770 1.00 1.04 C ATOM 2047 C7 DT B 8 8.459 -8.973 3.998 1.00 1.22 C ATOM 2048 C6 DT B 8 9.831 -10.659 2.754 1.00 1.14 C ATOM 0 H5' DT B 8 8.429 -14.151 3.021 1.00 1.61 H new ATOM 0 H5'' DT B 8 9.285 -15.238 4.097 1.00 1.61 H new ATOM 0 H4' DT B 8 10.462 -15.475 2.218 1.00 1.57 H new ATOM 0 H3' DT B 8 12.055 -14.485 4.048 1.00 1.70 H new ATOM 0 H2' DT B 8 11.589 -12.084 3.718 1.00 1.49 H new ATOM 0 H2'' DT B 8 13.040 -12.289 2.757 1.00 1.49 H new ATOM 0 H1' DT B 8 11.907 -12.325 0.768 1.00 1.26 H new ATOM 0 H3 DT B 8 9.536 -8.711 -0.400 1.00 0.71 H new ATOM 0 H71 DT B 8 8.423 -7.885 3.951 1.00 1.22 H new ATOM 0 H72 DT B 8 7.445 -9.368 4.054 1.00 1.22 H new ATOM 0 H73 DT B 8 9.017 -9.279 4.883 1.00 1.22 H new ATOM 0 H6 DT B 8 9.920 -11.239 3.661 1.00 1.14 H new ATOM 2061 P DA B 9 14.375 -14.128 2.192 1.00 1.82 P ATOM 2062 OP1 DA B 9 15.370 -15.203 2.009 1.00 2.06 O ATOM 2063 OP2 DA B 9 14.571 -13.257 3.376 1.00 1.83 O ATOM 2064 O5' DA B 9 14.295 -13.226 0.879 1.00 1.59 O ATOM 2065 C5' DA B 9 13.727 -13.799 -0.326 1.00 1.55 C ATOM 2066 C4' DA B 9 14.436 -13.239 -1.541 1.00 1.52 C ATOM 2067 O4' DA B 9 13.876 -11.921 -1.842 1.00 1.27 O ATOM 2068 C3' DA B 9 15.935 -12.989 -1.395 1.00 1.65 C ATOM 2069 O3' DA B 9 16.605 -12.992 -2.653 1.00 1.73 O ATOM 2070 C2' DA B 9 15.987 -11.588 -0.803 1.00 1.46 C ATOM 2071 C1' DA B 9 14.799 -10.915 -1.476 1.00 1.23 C ATOM 2072 N9 DA B 9 14.088 -9.944 -0.601 1.00 1.04 N ATOM 2073 C8 DA B 9 13.838 -10.037 0.742 1.00 1.11 C ATOM 2074 N7 DA B 9 13.184 -9.021 1.222 1.00 0.98 N ATOM 2075 C5 DA B 9 13.000 -8.199 0.125 1.00 0.79 C ATOM 2076 C6 DA B 9 12.368 -6.948 -0.031 1.00 0.64 C ATOM 2077 N6 DA B 9 11.787 -6.288 0.986 1.00 0.71 N ATOM 2078 N1 DA B 9 12.354 -6.410 -1.258 1.00 0.57 N ATOM 2079 C2 DA B 9 12.934 -7.071 -2.256 1.00 0.66 C ATOM 2080 N3 DA B 9 13.545 -8.236 -2.244 1.00 0.79 N ATOM 2081 C4 DA B 9 13.540 -8.751 -1.002 1.00 0.84 C ATOM 0 H5' DA B 9 12.662 -13.575 -0.379 1.00 1.55 H new ATOM 0 H5'' DA B 9 13.824 -14.884 -0.305 1.00 1.55 H new ATOM 0 H4' DA B 9 14.292 -14.004 -2.304 1.00 1.52 H new ATOM 0 H3' DA B 9 16.422 -13.758 -0.795 1.00 1.65 H new ATOM 0 H2' DA B 9 15.888 -11.600 0.282 1.00 1.46 H new ATOM 0 H2'' DA B 9 16.925 -11.083 -1.032 1.00 1.46 H new ATOM 0 H1' DA B 9 15.187 -10.360 -2.330 1.00 1.23 H new ATOM 0 H8 DA B 9 14.154 -10.875 1.345 1.00 1.11 H new ATOM 0 H61 DA B 9 11.343 -5.385 0.820 1.00 0.71 H new ATOM 0 H62 DA B 9 11.790 -6.690 1.923 1.00 0.71 H new ATOM 0 H2 DA B 9 12.898 -6.579 -3.217 1.00 0.66 H new ATOM 2093 P DA B 10 17.975 -12.190 -2.811 1.00 1.78 P ATOM 2094 OP1 DA B 10 18.839 -12.871 -3.794 1.00 2.00 O ATOM 2095 OP2 DA B 10 18.568 -11.965 -1.472 1.00 1.80 O ATOM 2096 O5' DA B 10 17.463 -10.800 -3.402 1.00 1.56 O ATOM 2097 C5' DA B 10 16.514 -10.816 -4.498 1.00 1.52 C ATOM 2098 C4' DA B 10 16.773 -9.643 -5.416 1.00 1.50 C ATOM 2099 O4' DA B 10 16.155 -8.450 -4.834 1.00 1.26 O ATOM 2100 C3' DA B 10 18.235 -9.248 -5.618 1.00 1.63 C ATOM 2101 O3' DA B 10 18.438 -8.544 -6.841 1.00 1.72 O ATOM 2102 C2' DA B 10 18.497 -8.310 -4.452 1.00 1.46 C ATOM 2103 C1' DA B 10 17.157 -7.601 -4.304 1.00 1.24 C ATOM 2104 N9 DA B 10 16.792 -7.293 -2.897 1.00 1.07 N ATOM 2105 C8 DA B 10 17.012 -8.050 -1.777 1.00 1.12 C ATOM 2106 N7 DA B 10 16.570 -7.507 -0.684 1.00 1.02 N ATOM 2107 C5 DA B 10 16.032 -6.304 -1.107 1.00 0.85 C ATOM 2108 C6 DA B 10 15.393 -5.252 -0.418 1.00 0.74 C ATOM 2109 N6 DA B 10 15.199 -5.258 0.911 1.00 0.81 N ATOM 2110 N1 DA B 10 14.969 -4.207 -1.143 1.00 0.69 N ATOM 2111 C2 DA B 10 15.169 -4.211 -2.458 1.00 0.76 C ATOM 2112 N3 DA B 10 15.741 -5.123 -3.213 1.00 0.86 N ATOM 2113 C4 DA B 10 16.152 -6.160 -2.459 1.00 0.89 C ATOM 0 H5' DA B 10 15.496 -10.769 -4.111 1.00 1.52 H new ATOM 0 H5'' DA B 10 16.601 -11.750 -5.053 1.00 1.52 H new ATOM 0 H4' DA B 10 16.373 -9.970 -6.376 1.00 1.50 H new ATOM 0 H3' DA B 10 18.890 -10.118 -5.661 1.00 1.63 H new ATOM 0 H2' DA B 10 18.773 -8.852 -3.547 1.00 1.46 H new ATOM 0 H2'' DA B 10 19.306 -7.611 -4.665 1.00 1.46 H new ATOM 0 H1' DA B 10 17.238 -6.650 -4.831 1.00 1.24 H new ATOM 0 H8 DA B 10 17.507 -9.009 -1.801 1.00 1.12 H new ATOM 0 H61 DA B 10 14.731 -4.472 1.362 1.00 0.81 H new ATOM 0 H62 DA B 10 15.520 -6.049 1.470 1.00 0.81 H new ATOM 0 H2 DA B 10 14.809 -3.338 -2.982 1.00 0.76 H new ATOM 2125 P DC B 11 19.680 -7.552 -6.974 1.00 1.78 P ATOM 2126 OP1 DC B 11 20.155 -7.535 -8.374 1.00 2.00 O ATOM 2127 OP2 DC B 11 20.694 -7.899 -5.951 1.00 1.79 O ATOM 2128 O5' DC B 11 19.009 -6.153 -6.606 1.00 1.58 O ATOM 2129 C5' DC B 11 17.746 -5.801 -7.222 1.00 1.55 C ATOM 2130 C4' DC B 11 17.687 -4.310 -7.455 1.00 1.54 C ATOM 2131 O4' DC B 11 17.314 -3.655 -6.200 1.00 1.33 O ATOM 2132 C3' DC B 11 18.997 -3.635 -7.857 1.00 1.68 C ATOM 2133 O3' DC B 11 18.781 -2.413 -8.557 1.00 1.78 O ATOM 2134 C2' DC B 11 19.648 -3.334 -6.517 1.00 1.51 C ATOM 2135 C1' DC B 11 18.444 -3.009 -5.643 1.00 1.31 C ATOM 2136 N1 DC B 11 18.580 -3.471 -4.235 1.00 1.14 N ATOM 2137 C2 DC B 11 18.068 -2.653 -3.231 1.00 1.00 C ATOM 2138 O2 DC B 11 17.530 -1.584 -3.543 1.00 1.03 O ATOM 2139 N3 DC B 11 18.187 -3.055 -1.940 1.00 0.91 N ATOM 2140 C4 DC B 11 18.777 -4.216 -1.634 1.00 0.98 C ATOM 2141 N4 DC B 11 18.861 -4.563 -0.359 1.00 1.00 N ATOM 2142 C5 DC B 11 19.314 -5.071 -2.648 1.00 1.14 C ATOM 2143 C6 DC B 11 19.183 -4.650 -3.934 1.00 1.20 C ATOM 0 H5' DC B 11 16.920 -6.111 -6.582 1.00 1.55 H new ATOM 0 H5'' DC B 11 17.632 -6.331 -8.168 1.00 1.55 H new ATOM 0 H4' DC B 11 16.981 -4.202 -8.278 1.00 1.54 H new ATOM 0 H3' DC B 11 19.590 -4.261 -8.524 1.00 1.68 H new ATOM 0 H2' DC B 11 20.210 -4.187 -6.136 1.00 1.51 H new ATOM 0 H2'' DC B 11 20.343 -2.497 -6.581 1.00 1.51 H new ATOM 0 H1' DC B 11 18.351 -1.923 -5.620 1.00 1.31 H new ATOM 0 H41 DC B 11 19.306 -5.443 -0.098 1.00 1.00 H new ATOM 0 H42 DC B 11 18.481 -3.950 0.362 1.00 1.00 H new ATOM 0 H5 DC B 11 19.799 -6.004 -2.404 1.00 1.14 H new ATOM 0 H6 DC B 11 19.567 -5.266 -4.733 1.00 1.20 H new ATOM 2155 P DG B 12 19.910 -1.289 -8.538 1.00 1.84 P ATOM 2156 OP1 DG B 12 19.883 -0.530 -9.806 1.00 2.07 O ATOM 2157 OP2 DG B 12 21.209 -1.907 -8.181 1.00 1.85 O ATOM 2158 O5' DG B 12 19.417 -0.362 -7.339 1.00 1.66 O ATOM 2159 C5' DG B 12 18.021 0.029 -7.287 1.00 1.64 C ATOM 2160 C4' DG B 12 17.902 1.420 -6.709 1.00 1.65 C ATOM 2161 O4' DG B 12 17.982 1.330 -5.251 1.00 1.44 O ATOM 2162 C3' DG B 12 19.003 2.409 -7.087 1.00 1.78 C ATOM 2163 O3' DG B 12 18.571 3.762 -6.978 1.00 1.89 O ATOM 2164 C2' DG B 12 20.073 2.139 -6.041 1.00 1.62 C ATOM 2165 C1' DG B 12 19.238 1.809 -4.811 1.00 1.43 C ATOM 2166 N9 DG B 12 19.841 0.766 -3.939 1.00 1.27 N ATOM 2167 C8 DG B 12 20.541 -0.369 -4.291 1.00 1.29 C ATOM 2168 N7 DG B 12 20.945 -1.087 -3.275 1.00 1.20 N ATOM 2169 C5 DG B 12 20.480 -0.385 -2.160 1.00 1.09 C ATOM 2170 C6 DG B 12 20.605 -0.673 -0.783 1.00 1.04 C ATOM 2171 O6 DG B 12 21.163 -1.623 -0.237 1.00 1.08 O ATOM 2172 N1 DG B 12 19.983 0.310 0.007 1.00 1.03 N ATOM 2173 C2 DG B 12 19.333 1.425 -0.483 1.00 1.08 C ATOM 2174 N2 DG B 12 18.808 2.248 0.430 1.00 1.16 N ATOM 2175 N3 DG B 12 19.208 1.692 -1.781 1.00 1.15 N ATOM 2176 C4 DG B 12 19.800 0.752 -2.562 1.00 1.14 C ATOM 0 H5' DG B 12 17.458 -0.678 -6.677 1.00 1.64 H new ATOM 0 H5'' DG B 12 17.589 0.002 -8.287 1.00 1.64 H new ATOM 0 H4' DG B 12 16.960 1.789 -7.113 1.00 1.65 H new ATOM 0 H3' DG B 12 19.330 2.282 -8.119 1.00 1.78 H new ATOM 0 H2' DG B 12 20.723 1.312 -6.327 1.00 1.62 H new ATOM 0 H2'' DG B 12 20.713 3.006 -5.879 1.00 1.62 H new ATOM 0 H1' DG B 12 19.165 2.722 -4.220 1.00 1.43 H new ATOM 0 H8 DG B 12 20.739 -0.642 -5.317 1.00 1.29 H new ATOM 0 H1 DG B 12 20.014 0.190 1.019 1.00 1.03 H new ATOM 0 H21 DG B 12 18.315 3.090 0.134 1.00 1.16 H new ATOM 0 H22 DG B 12 18.901 2.034 1.423 1.00 1.16 H new ATOM 2188 P DT B 13 19.651 4.911 -6.735 1.00 1.95 P ATOM 2189 OP1 DT B 13 19.201 6.161 -7.376 1.00 2.17 O ATOM 2190 OP2 DT B 13 20.989 4.418 -7.142 1.00 1.96 O ATOM 2191 O5' DT B 13 19.602 5.063 -5.148 1.00 1.78 O ATOM 2192 C5' DT B 13 18.310 5.147 -4.495 1.00 1.75 C ATOM 2193 C4' DT B 13 18.406 6.058 -3.293 1.00 1.76 C ATOM 2194 O4' DT B 13 18.975 5.302 -2.178 1.00 1.57 O ATOM 2195 C3' DT B 13 19.321 7.271 -3.432 1.00 1.89 C ATOM 2196 O3' DT B 13 18.964 8.320 -2.536 1.00 1.99 O ATOM 2197 C2' DT B 13 20.681 6.718 -3.035 1.00 1.75 C ATOM 2198 C1' DT B 13 20.311 5.710 -1.953 1.00 1.57 C ATOM 2199 N1 DT B 13 21.165 4.493 -1.949 1.00 1.42 N ATOM 2200 C2 DT B 13 21.498 3.961 -0.720 1.00 1.32 C ATOM 2201 O2 DT B 13 21.122 4.447 0.332 1.00 1.35 O ATOM 2202 N3 DT B 13 22.290 2.832 -0.764 1.00 1.25 N ATOM 2203 C4 DT B 13 22.768 2.205 -1.892 1.00 1.28 C ATOM 2204 O4 DT B 13 23.474 1.195 -1.805 1.00 1.28 O ATOM 2205 C5 DT B 13 22.375 2.835 -3.129 1.00 1.39 C ATOM 2206 C7 DT B 13 22.866 2.182 -4.385 1.00 1.50 C ATOM 2207 C6 DT B 13 21.596 3.935 -3.126 1.00 1.45 C ATOM 0 H5' DT B 13 17.983 4.154 -4.186 1.00 1.75 H new ATOM 0 H5'' DT B 13 17.563 5.526 -5.192 1.00 1.75 H new ATOM 0 H4' DT B 13 17.386 6.416 -3.156 1.00 1.76 H new ATOM 0 H3' DT B 13 19.276 7.702 -4.432 1.00 1.89 H new ATOM 0 H2' DT B 13 21.190 6.246 -3.875 1.00 1.75 H new ATOM 0 H2'' DT B 13 21.344 7.497 -2.657 1.00 1.75 H new ATOM 0 H1' DT B 13 20.452 6.205 -0.992 1.00 1.57 H new ATOM 0 H3 DT B 13 22.548 2.419 0.132 1.00 1.25 H new ATOM 0 H71 DT B 13 23.821 1.693 -4.191 1.00 1.50 H new ATOM 0 H72 DT B 13 22.139 1.441 -4.718 1.00 1.50 H new ATOM 0 H73 DT B 13 22.996 2.937 -5.161 1.00 1.50 H new ATOM 0 H6 DT B 13 21.307 4.384 -4.065 1.00 1.45 H new ATOM 2220 P DC B 14 20.072 9.376 -2.084 1.00 2.06 P ATOM 2221 OP1 DC B 14 19.441 10.688 -1.844 1.00 2.27 O ATOM 2222 OP2 DC B 14 21.188 9.360 -3.061 1.00 2.07 O ATOM 2223 O5' DC B 14 20.565 8.746 -0.705 1.00 1.90 O ATOM 2224 C5' DC B 14 19.572 8.299 0.253 1.00 1.87 C ATOM 2225 C4' DC B 14 20.078 8.531 1.658 1.00 1.89 C ATOM 2226 O4' DC B 14 20.985 7.440 2.016 1.00 1.72 O ATOM 2227 C3' DC B 14 20.902 9.797 1.883 1.00 2.02 C ATOM 2228 O3' DC B 14 20.880 10.222 3.242 1.00 2.12 O ATOM 2229 C2' DC B 14 22.311 9.351 1.521 1.00 1.90 C ATOM 2230 C1' DC B 14 22.321 7.908 2.007 1.00 1.74 C ATOM 2231 N1 DC B 14 23.115 6.990 1.145 1.00 1.60 N ATOM 2232 C2 DC B 14 23.853 5.987 1.769 1.00 1.52 C ATOM 2233 O2 DC B 14 23.822 5.900 3.003 1.00 1.56 O ATOM 2234 N3 DC B 14 24.585 5.143 1.001 1.00 1.45 N ATOM 2235 C4 DC B 14 24.597 5.263 -0.332 1.00 1.46 C ATOM 2236 N4 DC B 14 25.326 4.409 -1.035 1.00 1.45 N ATOM 2237 C5 DC B 14 23.854 6.289 -0.995 1.00 1.55 C ATOM 2238 C6 DC B 14 23.123 7.121 -0.206 1.00 1.62 C ATOM 0 H5' DC B 14 19.359 7.241 0.103 1.00 1.87 H new ATOM 0 H5'' DC B 14 18.637 8.837 0.100 1.00 1.87 H new ATOM 0 H4' DC B 14 19.167 8.608 2.252 1.00 1.89 H new ATOM 0 H3' DC B 14 20.523 10.638 1.302 1.00 2.02 H new ATOM 0 H2' DC B 14 22.499 9.422 0.450 1.00 1.90 H new ATOM 0 H2'' DC B 14 23.070 9.954 2.018 1.00 1.90 H new ATOM 0 H1' DC B 14 22.783 7.908 2.994 1.00 1.74 H new ATOM 0 H41 DC B 14 25.353 4.478 -2.052 1.00 1.45 H new ATOM 0 H42 DC B 14 25.860 3.682 -0.559 1.00 1.45 H new ATOM 0 H5 DC B 14 23.872 6.398 -2.069 1.00 1.55 H new ATOM 0 H6 DC B 14 22.536 7.903 -0.664 1.00 1.62 H new ATOM 2250 P DG B 15 22.082 11.100 3.809 1.00 2.21 P ATOM 2251 OP1 DG B 15 21.584 12.020 4.849 1.00 2.40 O ATOM 2252 OP2 DG B 15 22.802 11.733 2.675 1.00 2.21 O ATOM 2253 O5' DG B 15 23.010 9.983 4.465 1.00 2.07 O ATOM 2254 C5' DG B 15 22.398 8.979 5.314 1.00 2.04 C ATOM 2255 C4' DG B 15 23.352 8.596 6.422 1.00 2.08 C ATOM 2256 O4' DG B 15 24.319 7.631 5.896 1.00 1.93 O ATOM 2257 C3' DG B 15 24.214 9.720 6.994 1.00 2.21 C ATOM 2258 O3' DG B 15 24.658 9.438 8.319 1.00 2.32 O ATOM 2259 C2' DG B 15 25.413 9.735 6.059 1.00 2.10 C ATOM 2260 C1' DG B 15 25.575 8.258 5.725 1.00 1.95 C ATOM 2261 N9 DG B 15 26.023 8.002 4.330 1.00 1.82 N ATOM 2262 C8 DG B 15 25.679 8.664 3.168 1.00 1.80 C ATOM 2263 N7 DG B 15 26.256 8.189 2.094 1.00 1.72 N ATOM 2264 C5 DG B 15 27.037 7.134 2.567 1.00 1.67 C ATOM 2265 C6 DG B 15 27.885 6.242 1.873 1.00 1.63 C ATOM 2266 O6 DG B 15 28.135 6.190 0.668 1.00 1.62 O ATOM 2267 N1 DG B 15 28.492 5.323 2.746 1.00 1.65 N ATOM 2268 C2 DG B 15 28.301 5.283 4.110 1.00 1.72 C ATOM 2269 N2 DG B 15 28.971 4.336 4.774 1.00 1.80 N ATOM 2270 N3 DG B 15 27.497 6.118 4.765 1.00 1.77 N ATOM 2271 C4 DG B 15 26.898 7.014 3.938 1.00 1.73 C ATOM 0 H5' DG B 15 22.139 8.100 4.724 1.00 2.04 H new ATOM 0 H5'' DG B 15 21.470 9.364 5.737 1.00 2.04 H new ATOM 0 H4' DG B 15 22.697 8.232 7.214 1.00 2.08 H new ATOM 0 H3' DG B 15 23.668 10.661 7.055 1.00 2.21 H new ATOM 0 H2' DG B 15 25.228 10.336 5.169 1.00 2.10 H new ATOM 0 H2'' DG B 15 26.301 10.144 6.541 1.00 2.10 H new ATOM 0 HO3' DG B 15 25.207 10.181 8.645 1.00 2.32 H new ATOM 0 H1' DG B 15 26.345 7.864 6.389 1.00 1.95 H new ATOM 0 H8 DG B 15 24.995 9.499 3.148 1.00 1.80 H new ATOM 0 H1 DG B 15 29.122 4.632 2.339 1.00 1.65 H new ATOM 0 H21 DG B 15 28.871 4.255 5.786 1.00 1.80 H new ATOM 0 H22 DG B 15 29.582 3.694 4.269 1.00 1.80 H new TER 2284 DG B 15 ATOM 2285 OP3 DC C 16 35.901 1.749 -1.287 1.00 2.40 O ATOM 2286 P DC C 16 35.375 0.245 -1.285 1.00 2.45 P ATOM 2287 OP1 DC C 16 36.550 -0.661 -1.348 1.00 2.66 O ATOM 2288 OP2 DC C 16 34.299 0.126 -2.304 1.00 2.37 O ATOM 2289 O5' DC C 16 34.716 0.105 0.161 1.00 2.36 O ATOM 2290 C5' DC C 16 35.477 0.376 1.364 1.00 2.43 C ATOM 2291 C4' DC C 16 34.688 -0.055 2.578 1.00 2.41 C ATOM 2292 O4' DC C 16 33.715 0.990 2.899 1.00 2.24 O ATOM 2293 C3' DC C 16 33.845 -1.319 2.425 1.00 2.43 C ATOM 2294 O3' DC C 16 33.583 -1.946 3.678 1.00 2.51 O ATOM 2295 C2' DC C 16 32.542 -0.791 1.848 1.00 2.22 C ATOM 2296 C1' DC C 16 32.416 0.563 2.537 1.00 2.12 C ATOM 2297 N1 DC C 16 31.814 1.619 1.677 1.00 1.96 N ATOM 2298 C2 DC C 16 30.952 2.533 2.278 1.00 1.85 C ATOM 2299 O2 DC C 16 30.719 2.429 3.489 1.00 1.89 O ATOM 2300 N3 DC C 16 30.392 3.501 1.512 1.00 1.75 N ATOM 2301 C4 DC C 16 30.665 3.585 0.203 1.00 1.76 C ATOM 2302 N4 DC C 16 30.093 4.553 -0.495 1.00 1.72 N ATOM 2303 C5 DC C 16 31.542 2.655 -0.437 1.00 1.88 C ATOM 2304 C6 DC C 16 32.095 1.694 0.351 1.00 1.97 C ATOM 0 H5' DC C 16 35.707 1.440 1.428 1.00 2.43 H new ATOM 0 H5'' DC C 16 36.429 -0.155 1.330 1.00 2.43 H new ATOM 0 H4' DC C 16 35.453 -0.244 3.331 1.00 2.41 H new ATOM 0 H3' DC C 16 34.344 -2.070 1.813 1.00 2.43 H new ATOM 0 H2' DC C 16 32.586 -0.694 0.763 1.00 2.22 H new ATOM 0 H2'' DC C 16 31.700 -1.445 2.076 1.00 2.22 H new ATOM 0 H1' DC C 16 31.755 0.427 3.393 1.00 2.12 H new ATOM 0 H41 DC C 16 30.282 4.642 -1.493 1.00 1.72 H new ATOM 0 H42 DC C 16 29.463 5.210 -0.035 1.00 1.72 H new ATOM 0 H5 DC C 16 31.755 2.713 -1.494 1.00 1.88 H new ATOM 0 H6 DC C 16 32.772 0.976 -0.087 1.00 1.97 H new ATOM 2317 P DG C 17 32.293 -2.872 3.836 1.00 2.47 P ATOM 2318 OP1 DG C 17 32.569 -3.950 4.806 1.00 2.67 O ATOM 2319 OP2 DG C 17 31.838 -3.308 2.494 1.00 2.40 O ATOM 2320 O5' DG C 17 31.239 -1.844 4.447 1.00 2.30 O ATOM 2321 C5' DG C 17 31.647 -0.997 5.550 1.00 2.35 C ATOM 2322 C4' DG C 17 30.477 -0.764 6.476 1.00 2.31 C ATOM 2323 O4' DG C 17 29.635 0.292 5.912 1.00 2.11 O ATOM 2324 C3' DG C 17 29.522 -1.940 6.672 1.00 2.34 C ATOM 2325 O3' DG C 17 28.804 -1.853 7.901 1.00 2.42 O ATOM 2326 C2' DG C 17 28.549 -1.785 5.514 1.00 2.12 C ATOM 2327 C1' DG C 17 28.449 -0.270 5.385 1.00 1.99 C ATOM 2328 N9 DG C 17 28.305 0.205 3.982 1.00 1.83 N ATOM 2329 C8 DG C 17 28.895 -0.280 2.832 1.00 1.83 C ATOM 2330 N7 DG C 17 28.556 0.365 1.746 1.00 1.71 N ATOM 2331 C5 DG C 17 27.681 1.355 2.200 1.00 1.61 C ATOM 2332 C6 DG C 17 26.993 2.361 1.486 1.00 1.50 C ATOM 2333 O6 DG C 17 27.003 2.602 0.279 1.00 1.48 O ATOM 2334 N1 DG C 17 26.206 3.152 2.343 1.00 1.48 N ATOM 2335 C2 DG C 17 26.101 2.978 3.708 1.00 1.57 C ATOM 2336 N2 DG C 17 25.296 3.831 4.350 1.00 1.60 N ATOM 2337 N3 DG C 17 26.756 2.036 4.382 1.00 1.67 N ATOM 2338 C4 DG C 17 27.525 1.261 3.572 1.00 1.68 C ATOM 0 H5' DG C 17 32.018 -0.045 5.171 1.00 2.35 H new ATOM 0 H5'' DG C 17 32.467 -1.464 6.095 1.00 2.35 H new ATOM 0 H4' DG C 17 30.946 -0.541 7.434 1.00 2.31 H new ATOM 0 H3' DG C 17 30.051 -2.892 6.701 1.00 2.34 H new ATOM 0 H2' DG C 17 28.924 -2.248 4.601 1.00 2.12 H new ATOM 0 H2'' DG C 17 27.583 -2.241 5.729 1.00 2.12 H new ATOM 0 H1' DG C 17 27.553 0.038 5.924 1.00 1.99 H new ATOM 0 H8 DG C 17 29.576 -1.118 2.829 1.00 1.83 H new ATOM 0 H1 DG C 17 25.672 3.913 1.923 1.00 1.48 H new ATOM 0 H21 DG C 17 25.175 3.756 5.360 1.00 1.60 H new ATOM 0 H22 DG C 17 24.803 4.557 3.830 1.00 1.60 H new ATOM 2350 P DA C 18 27.394 -2.583 8.036 1.00 2.38 P ATOM 2351 OP1 DA C 18 27.193 -3.023 9.432 1.00 2.59 O ATOM 2352 OP2 DA C 18 27.288 -3.639 7.002 1.00 2.33 O ATOM 2353 O5' DA C 18 26.386 -1.397 7.688 1.00 2.18 O ATOM 2354 C5' DA C 18 26.586 -0.105 8.318 1.00 2.21 C ATOM 2355 C4' DA C 18 25.249 0.553 8.566 1.00 2.15 C ATOM 2356 O4' DA C 18 24.795 1.175 7.323 1.00 1.93 O ATOM 2357 C3' DA C 18 24.102 -0.371 8.967 1.00 2.19 C ATOM 2358 O3' DA C 18 23.079 0.317 9.683 1.00 2.25 O ATOM 2359 C2' DA C 18 23.552 -0.829 7.624 1.00 1.97 C ATOM 2360 C1' DA C 18 23.741 0.414 6.764 1.00 1.82 C ATOM 2361 N9 DA C 18 24.096 0.116 5.349 1.00 1.66 N ATOM 2362 C8 DA C 18 24.905 -0.878 4.872 1.00 1.69 C ATOM 2363 N7 DA C 18 25.024 -0.875 3.577 1.00 1.57 N ATOM 2364 C5 DA C 18 24.228 0.183 3.175 1.00 1.44 C ATOM 2365 C6 DA C 18 23.929 0.719 1.906 1.00 1.32 C ATOM 2366 N6 DA C 18 24.419 0.215 0.761 1.00 1.32 N ATOM 2367 N1 DA C 18 23.110 1.780 1.861 1.00 1.27 N ATOM 2368 C2 DA C 18 22.627 2.271 2.998 1.00 1.35 C ATOM 2369 N3 DA C 18 22.833 1.871 4.235 1.00 1.46 N ATOM 2370 C4 DA C 18 23.659 0.807 4.248 1.00 1.49 C ATOM 0 H5' DA C 18 27.202 0.530 7.681 1.00 2.21 H new ATOM 0 H5'' DA C 18 27.122 -0.228 9.259 1.00 2.21 H new ATOM 0 H4' DA C 18 25.444 1.232 9.396 1.00 2.15 H new ATOM 0 H3' DA C 18 24.436 -1.174 9.623 1.00 2.19 H new ATOM 0 H2' DA C 18 24.099 -1.685 7.230 1.00 1.97 H new ATOM 0 H2'' DA C 18 22.505 -1.123 7.691 1.00 1.97 H new ATOM 0 H1' DA C 18 22.789 0.944 6.754 1.00 1.82 H new ATOM 0 H8 DA C 18 25.398 -1.597 5.510 1.00 1.69 H new ATOM 0 H61 DA C 18 24.171 0.642 -0.132 1.00 1.32 H new ATOM 0 H62 DA C 18 25.039 -0.594 0.784 1.00 1.32 H new ATOM 0 H2 DA C 18 21.970 3.122 2.891 1.00 1.35 H new ATOM 2382 P DC C 19 21.592 -0.257 9.668 1.00 2.21 P ATOM 2383 OP1 DC C 19 20.920 0.064 10.943 1.00 2.41 O ATOM 2384 OP2 DC C 19 21.623 -1.690 9.294 1.00 2.18 O ATOM 2385 O5' DC C 19 20.938 0.586 8.480 1.00 2.00 O ATOM 2386 C5' DC C 19 21.150 2.018 8.441 1.00 2.01 C ATOM 2387 C4' DC C 19 19.926 2.703 7.882 1.00 1.95 C ATOM 2388 O4' DC C 19 19.965 2.609 6.422 1.00 1.73 O ATOM 2389 C3' DC C 19 18.576 2.096 8.263 1.00 1.99 C ATOM 2390 O3' DC C 19 17.515 3.043 8.172 1.00 2.05 O ATOM 2391 C2' DC C 19 18.379 1.022 7.205 1.00 1.78 C ATOM 2392 C1' DC C 19 19.012 1.663 5.977 1.00 1.62 C ATOM 2393 N1 DC C 19 19.713 0.696 5.091 1.00 1.46 N ATOM 2394 C2 DC C 19 19.624 0.891 3.715 1.00 1.30 C ATOM 2395 O2 DC C 19 18.969 1.850 3.287 1.00 1.30 O ATOM 2396 N3 DC C 19 20.255 0.019 2.889 1.00 1.20 N ATOM 2397 C4 DC C 19 20.956 -1.007 3.382 1.00 1.28 C ATOM 2398 N4 DC C 19 21.555 -1.827 2.531 1.00 1.26 N ATOM 2399 C5 DC C 19 21.058 -1.233 4.792 1.00 1.46 C ATOM 2400 C6 DC C 19 20.419 -0.345 5.601 1.00 1.54 C ATOM 0 H5' DC C 19 22.020 2.249 7.826 1.00 2.01 H new ATOM 0 H5'' DC C 19 21.360 2.391 9.443 1.00 2.01 H new ATOM 0 H4' DC C 19 19.977 3.709 8.298 1.00 1.95 H new ATOM 0 H3' DC C 19 18.567 1.734 9.291 1.00 1.99 H new ATOM 0 H2' DC C 19 18.871 0.088 7.476 1.00 1.78 H new ATOM 0 H2'' DC C 19 17.325 0.793 7.048 1.00 1.78 H new ATOM 0 H1' DC C 19 18.205 2.108 5.396 1.00 1.62 H new ATOM 0 H41 DC C 19 22.096 -2.618 2.880 1.00 1.26 H new ATOM 0 H42 DC C 19 21.475 -1.667 1.527 1.00 1.26 H new ATOM 0 H5 DC C 19 21.615 -2.067 5.194 1.00 1.46 H new ATOM 0 H6 DC C 19 20.475 -0.471 6.672 1.00 1.54 H new ATOM 2412 P DG C 20 16.025 2.530 7.934 1.00 2.03 P ATOM 2413 OP1 DG C 20 15.071 3.443 8.591 1.00 2.23 O ATOM 2414 OP2 DG C 20 15.933 1.102 8.327 1.00 2.01 O ATOM 2415 O5' DG C 20 15.895 2.653 6.350 1.00 1.81 O ATOM 2416 C5' DG C 20 16.340 3.874 5.705 1.00 1.82 C ATOM 2417 C4' DG C 20 15.462 4.172 4.513 1.00 1.77 C ATOM 2418 O4' DG C 20 15.911 3.356 3.385 1.00 1.54 O ATOM 2419 C3' DG C 20 13.981 3.830 4.659 1.00 1.83 C ATOM 2420 O3' DG C 20 13.162 4.593 3.777 1.00 1.90 O ATOM 2421 C2' DG C 20 13.930 2.368 4.247 1.00 1.62 C ATOM 2422 C1' DG C 20 14.991 2.307 3.155 1.00 1.45 C ATOM 2423 N9 DG C 20 15.756 1.030 3.132 1.00 1.28 N ATOM 2424 C8 DG C 20 16.186 0.251 4.184 1.00 1.33 C ATOM 2425 N7 DG C 20 16.836 -0.825 3.822 1.00 1.22 N ATOM 2426 C5 DG C 20 16.847 -0.759 2.427 1.00 1.05 C ATOM 2427 C6 DG C 20 17.408 -1.640 1.475 1.00 0.94 C ATOM 2428 O6 DG C 20 18.027 -2.688 1.659 1.00 0.97 O ATOM 2429 N1 DG C 20 17.182 -1.190 0.163 1.00 0.87 N ATOM 2430 C2 DG C 20 16.498 -0.043 -0.174 1.00 0.95 C ATOM 2431 N2 DG C 20 16.383 0.215 -1.481 1.00 0.99 N ATOM 2432 N3 DG C 20 15.977 0.793 0.721 1.00 1.07 N ATOM 2433 C4 DG C 20 16.184 0.379 1.998 1.00 1.10 C ATOM 0 H5' DG C 20 17.378 3.771 5.387 1.00 1.82 H new ATOM 0 H5'' DG C 20 16.304 4.703 6.411 1.00 1.82 H new ATOM 0 H4' DG C 20 15.552 5.251 4.388 1.00 1.77 H new ATOM 0 H3' DG C 20 13.612 4.037 5.664 1.00 1.83 H new ATOM 0 H2' DG C 20 14.162 1.702 5.078 1.00 1.62 H new ATOM 0 H2'' DG C 20 12.946 2.083 3.875 1.00 1.62 H new ATOM 0 H1' DG C 20 14.473 2.391 2.200 1.00 1.45 H new ATOM 0 H8 DG C 20 16.002 0.506 5.217 1.00 1.33 H new ATOM 0 H1 DG C 20 17.553 -1.757 -0.599 1.00 0.87 H new ATOM 0 H21 DG C 20 15.887 1.050 -1.794 1.00 0.99 H new ATOM 0 H22 DG C 20 16.791 -0.423 -2.165 1.00 0.99 H new ATOM 2445 P DT C 21 11.745 4.018 3.329 1.00 1.90 P ATOM 2446 OP1 DT C 21 10.800 5.132 3.107 1.00 2.12 O ATOM 2447 OP2 DT C 21 11.311 2.982 4.297 1.00 1.88 O ATOM 2448 O5' DT C 21 12.108 3.325 1.940 1.00 1.69 O ATOM 2449 C5' DT C 21 12.915 4.060 0.983 1.00 1.70 C ATOM 2450 C4' DT C 21 12.486 3.710 -0.423 1.00 1.66 C ATOM 2451 O4' DT C 21 13.109 2.440 -0.799 1.00 1.42 O ATOM 2452 C3' DT C 21 10.993 3.474 -0.637 1.00 1.74 C ATOM 2453 O3' DT C 21 10.606 3.683 -1.992 1.00 1.83 O ATOM 2454 C2' DT C 21 10.828 2.003 -0.292 1.00 1.53 C ATOM 2455 C1' DT C 21 12.138 1.410 -0.794 1.00 1.33 C ATOM 2456 N1 DT C 21 12.657 0.300 0.053 1.00 1.14 N ATOM 2457 C2 DT C 21 13.259 -0.757 -0.595 1.00 0.96 C ATOM 2458 O2 DT C 21 13.375 -0.809 -1.807 1.00 0.97 O ATOM 2459 N3 DT C 21 13.727 -1.761 0.229 1.00 0.84 N ATOM 2460 C4 DT C 21 13.643 -1.803 1.600 1.00 0.94 C ATOM 2461 O4 DT C 21 14.100 -2.765 2.234 1.00 0.94 O ATOM 2462 C5 DT C 21 12.995 -0.658 2.190 1.00 1.13 C ATOM 2463 C7 DT C 21 12.891 -0.658 3.685 1.00 1.30 C ATOM 2464 C6 DT C 21 12.533 0.345 1.418 1.00 1.22 C ATOM 0 H5' DT C 21 13.969 3.820 1.122 1.00 1.70 H new ATOM 0 H5'' DT C 21 12.807 5.132 1.150 1.00 1.70 H new ATOM 0 H4' DT C 21 12.781 4.580 -1.010 1.00 1.66 H new ATOM 0 H3' DT C 21 10.383 4.154 -0.042 1.00 1.74 H new ATOM 0 H2' DT C 21 10.694 1.848 0.779 1.00 1.53 H new ATOM 0 H2'' DT C 21 9.964 1.562 -0.789 1.00 1.53 H new ATOM 0 H1' DT C 21 11.945 0.998 -1.785 1.00 1.33 H new ATOM 0 H3 DT C 21 14.182 -2.552 -0.226 1.00 0.84 H new ATOM 0 H71 DT C 21 12.828 -1.685 4.045 1.00 1.30 H new ATOM 0 H72 DT C 21 13.772 -0.178 4.111 1.00 1.30 H new ATOM 0 H73 DT C 21 11.998 -0.112 3.988 1.00 1.30 H new ATOM 0 H6 DT C 21 12.058 1.197 1.881 1.00 1.22 H new ATOM 2477 P DT C 22 9.307 2.949 -2.559 1.00 1.85 P ATOM 2478 OP1 DT C 22 8.665 3.792 -3.587 1.00 2.09 O ATOM 2479 OP2 DT C 22 8.446 2.538 -1.424 1.00 1.83 O ATOM 2480 O5' DT C 22 9.946 1.654 -3.235 1.00 1.63 O ATOM 2481 C5' DT C 22 11.106 1.813 -4.092 1.00 1.63 C ATOM 2482 C4' DT C 22 11.058 0.798 -5.210 1.00 1.59 C ATOM 2483 O4' DT C 22 11.548 -0.483 -4.701 1.00 1.34 O ATOM 2484 C3' DT C 22 9.677 0.476 -5.774 1.00 1.69 C ATOM 2485 O3' DT C 22 9.743 -0.029 -7.105 1.00 1.79 O ATOM 2486 C2' DT C 22 9.181 -0.623 -4.849 1.00 1.48 C ATOM 2487 C1' DT C 22 10.466 -1.377 -4.531 1.00 1.26 C ATOM 2488 N1 DT C 22 10.526 -1.905 -3.143 1.00 1.06 N ATOM 2489 C2 DT C 22 11.110 -3.141 -2.960 1.00 0.86 C ATOM 2490 O2 DT C 22 11.567 -3.794 -3.882 1.00 0.87 O ATOM 2491 N3 DT C 22 11.144 -3.590 -1.656 1.00 0.72 N ATOM 2492 C4 DT C 22 10.658 -2.936 -0.548 1.00 0.82 C ATOM 2493 O4 DT C 22 10.746 -3.441 0.577 1.00 0.82 O ATOM 2494 C5 DT C 22 10.060 -1.653 -0.834 1.00 1.04 C ATOM 2495 C7 DT C 22 9.523 -0.901 0.345 1.00 1.21 C ATOM 2496 C6 DT C 22 10.014 -1.179 -2.095 1.00 1.13 C ATOM 0 H5' DT C 22 12.019 1.685 -3.511 1.00 1.63 H new ATOM 0 H5'' DT C 22 11.129 2.822 -4.505 1.00 1.63 H new ATOM 0 H4' DT C 22 11.651 1.255 -6.002 1.00 1.59 H new ATOM 0 H3' DT C 22 9.040 1.359 -5.819 1.00 1.69 H new ATOM 0 H2' DT C 22 8.712 -0.220 -3.951 1.00 1.48 H new ATOM 0 H2'' DT C 22 8.443 -1.262 -5.334 1.00 1.48 H new ATOM 0 H1' DT C 22 10.508 -2.234 -5.203 1.00 1.26 H new ATOM 0 H3 DT C 22 11.574 -4.501 -1.497 1.00 0.72 H new ATOM 0 H71 DT C 22 9.595 0.170 0.157 1.00 1.21 H new ATOM 0 H72 DT C 22 8.479 -1.172 0.505 1.00 1.21 H new ATOM 0 H73 DT C 22 10.103 -1.153 1.232 1.00 1.21 H new ATOM 0 H6 DT C 22 9.568 -0.214 -2.284 1.00 1.13 H new ATOM 2509 P DA C 23 8.568 -0.960 -7.650 1.00 1.82 P ATOM 2510 OP1 DA C 23 8.402 -0.755 -9.102 1.00 2.06 O ATOM 2511 OP2 DA C 23 7.357 -0.749 -6.822 1.00 1.81 O ATOM 2512 O5' DA C 23 9.156 -2.414 -7.367 1.00 1.58 O ATOM 2513 C5' DA C 23 10.527 -2.698 -7.750 1.00 1.56 C ATOM 2514 C4' DA C 23 10.646 -4.139 -8.190 1.00 1.53 C ATOM 2515 O4' DA C 23 10.751 -4.985 -7.001 1.00 1.27 O ATOM 2516 C3' DA C 23 9.458 -4.714 -8.959 1.00 1.64 C ATOM 2517 O3' DA C 23 9.830 -5.819 -9.778 1.00 1.73 O ATOM 2518 C2' DA C 23 8.539 -5.200 -7.848 1.00 1.44 C ATOM 2519 C1' DA C 23 9.535 -5.681 -6.802 1.00 1.21 C ATOM 2520 N9 DA C 23 9.097 -5.436 -5.400 1.00 1.01 N ATOM 2521 C8 DA C 23 8.421 -4.356 -4.900 1.00 1.06 C ATOM 2522 N7 DA C 23 8.186 -4.435 -3.623 1.00 0.92 N ATOM 2523 C5 DA C 23 8.732 -5.653 -3.262 1.00 0.72 C ATOM 2524 C6 DA C 23 8.814 -6.329 -2.027 1.00 0.57 C ATOM 2525 N6 DA C 23 8.305 -5.835 -0.884 1.00 0.64 N ATOM 2526 N1 DA C 23 9.432 -7.519 -2.014 1.00 0.51 N ATOM 2527 C2 DA C 23 9.930 -7.999 -3.148 1.00 0.61 C ATOM 2528 N3 DA C 23 9.925 -7.469 -4.352 1.00 0.75 N ATOM 2529 C4 DA C 23 9.301 -6.277 -4.334 1.00 0.79 C ATOM 0 H5' DA C 23 11.196 -2.508 -6.911 1.00 1.56 H new ATOM 0 H5'' DA C 23 10.834 -2.034 -8.559 1.00 1.56 H new ATOM 0 H4' DA C 23 11.512 -4.138 -8.852 1.00 1.53 H new ATOM 0 H3' DA C 23 9.014 -3.980 -9.632 1.00 1.64 H new ATOM 0 H2' DA C 23 7.901 -4.402 -7.468 1.00 1.44 H new ATOM 0 H2'' DA C 23 7.881 -6.001 -8.184 1.00 1.44 H new ATOM 0 H1' DA C 23 9.634 -6.759 -6.928 1.00 1.21 H new ATOM 0 H8 DA C 23 8.112 -3.518 -5.508 1.00 1.06 H new ATOM 0 H61 DA C 23 8.391 -6.365 -0.017 1.00 0.64 H new ATOM 0 H62 DA C 23 7.833 -4.931 -0.885 1.00 0.64 H new ATOM 0 H2 DA C 23 10.408 -8.964 -3.070 1.00 0.61 H new ATOM 2541 P DT C 24 8.731 -6.906 -10.170 1.00 1.76 P ATOM 2542 OP1 DT C 24 9.035 -7.463 -11.504 1.00 2.00 O ATOM 2543 OP2 DT C 24 7.381 -6.318 -10.004 1.00 1.77 O ATOM 2544 O5' DT C 24 8.966 -8.016 -9.048 1.00 1.53 O ATOM 2545 C5' DT C 24 10.323 -8.442 -8.764 1.00 1.51 C ATOM 2546 C4' DT C 24 10.330 -9.908 -8.395 1.00 1.48 C ATOM 2547 O4' DT C 24 9.940 -10.039 -6.991 1.00 1.23 O ATOM 2548 C3' DT C 24 9.343 -10.801 -9.145 1.00 1.60 C ATOM 2549 O3' DT C 24 9.754 -12.166 -9.156 1.00 1.69 O ATOM 2550 C2' DT C 24 8.073 -10.670 -8.318 1.00 1.40 C ATOM 2551 C1' DT C 24 8.624 -10.550 -6.904 1.00 1.18 C ATOM 2552 N1 DT C 24 7.840 -9.636 -6.030 1.00 0.99 N ATOM 2553 C2 DT C 24 7.688 -10.003 -4.710 1.00 0.79 C ATOM 2554 O2 DT C 24 8.165 -11.026 -4.249 1.00 0.82 O ATOM 2555 N3 DT C 24 6.955 -9.125 -3.936 1.00 0.67 N ATOM 2556 C4 DT C 24 6.374 -7.950 -4.352 1.00 0.77 C ATOM 2557 O4 DT C 24 5.736 -7.243 -3.562 1.00 0.78 O ATOM 2558 C5 DT C 24 6.582 -7.651 -5.748 1.00 0.99 C ATOM 2559 C7 DT C 24 5.973 -6.373 -6.245 1.00 1.18 C ATOM 2560 C6 DT C 24 7.298 -8.480 -6.534 1.00 1.07 C ATOM 0 H5' DT C 24 10.737 -7.850 -7.948 1.00 1.51 H new ATOM 0 H5'' DT C 24 10.957 -8.273 -9.634 1.00 1.51 H new ATOM 0 H4' DT C 24 11.340 -10.234 -8.642 1.00 1.48 H new ATOM 0 H3' DT C 24 9.242 -10.509 -10.190 1.00 1.60 H new ATOM 0 H2' DT C 24 7.489 -9.795 -8.604 1.00 1.40 H new ATOM 0 H2'' DT C 24 7.423 -11.537 -8.430 1.00 1.40 H new ATOM 0 H1' DT C 24 8.578 -11.543 -6.458 1.00 1.18 H new ATOM 0 H3 DT C 24 6.832 -9.374 -2.954 1.00 0.67 H new ATOM 0 H71 DT C 24 5.074 -6.150 -5.670 1.00 1.18 H new ATOM 0 H72 DT C 24 6.689 -5.559 -6.129 1.00 1.18 H new ATOM 0 H73 DT C 24 5.712 -6.480 -7.298 1.00 1.18 H new ATOM 0 H6 DT C 24 7.447 -8.231 -7.574 1.00 1.07 H new ATOM 2573 P DA C 25 8.659 -13.312 -9.327 1.00 1.73 P ATOM 2574 OP1 DA C 25 9.245 -14.462 -10.043 1.00 1.96 O ATOM 2575 OP2 DA C 25 7.433 -12.732 -9.926 1.00 1.74 O ATOM 2576 O5' DA C 25 8.370 -13.703 -7.807 1.00 1.52 O ATOM 2577 C5' DA C 25 9.494 -13.918 -6.918 1.00 1.50 C ATOM 2578 C4' DA C 25 9.154 -14.997 -5.916 1.00 1.49 C ATOM 2579 O4' DA C 25 8.354 -14.407 -4.844 1.00 1.26 O ATOM 2580 C3' DA C 25 8.300 -16.154 -6.431 1.00 1.62 C ATOM 2581 O3' DA C 25 8.469 -17.336 -5.652 1.00 1.72 O ATOM 2582 C2' DA C 25 6.883 -15.634 -6.250 1.00 1.43 C ATOM 2583 C1' DA C 25 7.005 -14.814 -4.972 1.00 1.22 C ATOM 2584 N9 DA C 25 6.159 -13.592 -4.961 1.00 1.02 N ATOM 2585 C8 DA C 25 5.877 -12.746 -6.000 1.00 1.06 C ATOM 2586 N7 DA C 25 5.103 -11.754 -5.669 1.00 0.94 N ATOM 2587 C5 DA C 25 4.849 -11.967 -4.327 1.00 0.78 C ATOM 2588 C6 DA C 25 4.086 -11.255 -3.379 1.00 0.68 C ATOM 2589 N6 DA C 25 3.403 -10.137 -3.678 1.00 0.74 N ATOM 2590 N1 DA C 25 4.051 -11.733 -2.127 1.00 0.65 N ATOM 2591 C2 DA C 25 4.730 -12.841 -1.842 1.00 0.74 C ATOM 2592 N3 DA C 25 5.477 -13.588 -2.627 1.00 0.84 N ATOM 2593 C4 DA C 25 5.493 -13.083 -3.873 1.00 0.85 C ATOM 0 H5' DA C 25 9.742 -12.992 -6.399 1.00 1.50 H new ATOM 0 H5'' DA C 25 10.374 -14.207 -7.493 1.00 1.50 H new ATOM 0 H4' DA C 25 10.126 -15.394 -5.622 1.00 1.49 H new ATOM 0 H3' DA C 25 8.559 -16.430 -7.453 1.00 1.62 H new ATOM 0 H2' DA C 25 6.561 -15.026 -7.095 1.00 1.43 H new ATOM 0 H2'' DA C 25 6.161 -16.444 -6.147 1.00 1.43 H new ATOM 0 H1' DA C 25 6.668 -15.447 -4.151 1.00 1.22 H new ATOM 0 H8 DA C 25 6.261 -12.889 -6.999 1.00 1.06 H new ATOM 0 H61 DA C 25 2.866 -9.659 -2.955 1.00 0.74 H new ATOM 0 H62 DA C 25 3.422 -9.767 -4.628 1.00 0.74 H new ATOM 0 H2 DA C 25 4.658 -13.176 -0.818 1.00 0.74 H new ATOM 2605 P DT C 26 7.299 -18.420 -5.611 1.00 1.77 P ATOM 2606 OP1 DT C 26 7.876 -19.769 -5.448 1.00 2.01 O ATOM 2607 OP2 DT C 26 6.416 -18.230 -6.787 1.00 1.77 O ATOM 2608 O5' DT C 26 6.518 -17.995 -4.287 1.00 1.58 O ATOM 2609 C5' DT C 26 7.280 -17.723 -3.085 1.00 1.57 C ATOM 2610 C4' DT C 26 6.491 -18.154 -1.871 1.00 1.58 C ATOM 2611 O4' DT C 26 5.518 -17.110 -1.549 1.00 1.35 O ATOM 2612 C3' DT C 26 5.649 -19.419 -2.023 1.00 1.70 C ATOM 2613 O3' DT C 26 5.387 -20.046 -0.771 1.00 1.82 O ATOM 2614 C2' DT C 26 4.346 -18.889 -2.600 1.00 1.52 C ATOM 2615 C1' DT C 26 4.220 -17.536 -1.912 1.00 1.32 C ATOM 2616 N1 DT C 26 3.617 -16.481 -2.771 1.00 1.13 N ATOM 2617 C2 DT C 26 2.765 -15.584 -2.163 1.00 0.98 C ATOM 2618 O2 DT C 26 2.499 -15.629 -0.977 1.00 1.02 O ATOM 2619 N3 DT C 26 2.232 -14.621 -2.996 1.00 0.87 N ATOM 2620 C4 DT C 26 2.463 -14.484 -4.345 1.00 0.92 C ATOM 2621 O4 DT C 26 1.924 -13.576 -4.991 1.00 0.93 O ATOM 2622 C5 DT C 26 3.363 -15.469 -4.895 1.00 1.08 C ATOM 2623 C7 DT C 26 3.651 -15.351 -6.362 1.00 1.23 C ATOM 2624 C6 DT C 26 3.909 -16.419 -4.112 1.00 1.17 C ATOM 0 H5' DT C 26 7.510 -16.659 -3.022 1.00 1.57 H new ATOM 0 H5'' DT C 26 8.232 -18.253 -3.119 1.00 1.57 H new ATOM 0 H4' DT C 26 7.256 -18.342 -1.118 1.00 1.58 H new ATOM 0 H3' DT C 26 6.149 -20.171 -2.634 1.00 1.70 H new ATOM 0 H2' DT C 26 4.390 -18.792 -3.685 1.00 1.52 H new ATOM 0 H2'' DT C 26 3.504 -19.542 -2.372 1.00 1.52 H new ATOM 0 H1' DT C 26 3.559 -17.671 -1.056 1.00 1.32 H new ATOM 0 H3 DT C 26 1.603 -13.942 -2.568 1.00 0.87 H new ATOM 0 H71 DT C 26 2.788 -14.919 -6.869 1.00 1.23 H new ATOM 0 H72 DT C 26 4.519 -14.709 -6.512 1.00 1.23 H new ATOM 0 H73 DT C 26 3.856 -16.339 -6.773 1.00 1.23 H new ATOM 0 H6 DT C 26 4.585 -17.142 -4.544 1.00 1.17 H new ATOM 2637 P DT C 27 4.097 -20.971 -0.611 1.00 1.88 P ATOM 2638 OP1 DT C 27 4.373 -22.050 0.356 1.00 2.12 O ATOM 2639 OP2 DT C 27 3.642 -21.407 -1.955 1.00 1.87 O ATOM 2640 O5' DT C 27 3.041 -19.944 -0.003 1.00 1.69 O ATOM 2641 C5' DT C 27 3.450 -19.096 1.101 1.00 1.68 C ATOM 2642 C4' DT C 27 2.279 -18.864 2.027 1.00 1.69 C ATOM 2643 O4' DT C 27 1.439 -17.808 1.463 1.00 1.47 O ATOM 2644 C3' DT C 27 1.326 -20.040 2.223 1.00 1.82 C ATOM 2645 O3' DT C 27 0.607 -19.953 3.451 1.00 1.93 O ATOM 2646 C2' DT C 27 0.354 -19.883 1.065 1.00 1.65 C ATOM 2647 C1' DT C 27 0.253 -18.370 0.937 1.00 1.45 C ATOM 2648 N1 DT C 27 0.110 -17.895 -0.467 1.00 1.27 N ATOM 2649 C2 DT C 27 -0.726 -16.821 -0.688 1.00 1.14 C ATOM 2650 O2 DT C 27 -1.333 -16.264 0.211 1.00 1.18 O ATOM 2651 N3 DT C 27 -0.827 -16.414 -2.003 1.00 1.03 N ATOM 2652 C4 DT C 27 -0.190 -16.972 -3.087 1.00 1.07 C ATOM 2653 O4 DT C 27 -0.361 -16.520 -4.225 1.00 1.06 O ATOM 2654 C5 DT C 27 0.659 -18.093 -2.761 1.00 1.21 C ATOM 2655 C7 DT C 27 1.379 -18.729 -3.912 1.00 1.33 C ATOM 2656 C6 DT C 27 0.788 -18.514 -1.488 1.00 1.30 C ATOM 0 H5' DT C 27 3.821 -18.143 0.722 1.00 1.68 H new ATOM 0 H5'' DT C 27 4.270 -19.563 1.646 1.00 1.68 H new ATOM 0 H4' DT C 27 2.746 -18.641 2.986 1.00 1.69 H new ATOM 0 H3' DT C 27 1.855 -20.992 2.252 1.00 1.82 H new ATOM 0 H2' DT C 27 0.730 -20.345 0.152 1.00 1.65 H new ATOM 0 H2'' DT C 27 -0.612 -20.339 1.279 1.00 1.65 H new ATOM 0 H1' DT C 27 -0.643 -18.062 1.476 1.00 1.45 H new ATOM 0 H3 DT C 27 -1.436 -15.618 -2.190 1.00 1.03 H new ATOM 0 H71 DT C 27 0.784 -18.619 -4.819 1.00 1.33 H new ATOM 0 H72 DT C 27 2.345 -18.243 -4.050 1.00 1.33 H new ATOM 0 H73 DT C 27 1.532 -19.788 -3.705 1.00 1.33 H new ATOM 0 H6 DT C 27 1.434 -19.351 -1.267 1.00 1.30 H new ATOM 2669 P DG C 28 -0.803 -20.683 3.588 1.00 1.99 P ATOM 2670 OP1 DG C 28 -1.004 -21.123 4.983 1.00 2.23 O ATOM 2671 OP2 DG C 28 -0.909 -21.738 2.553 1.00 1.99 O ATOM 2672 O5' DG C 28 -1.809 -19.496 3.240 1.00 1.81 O ATOM 2673 C5' DG C 28 -1.610 -18.205 3.869 1.00 1.79 C ATOM 2674 C4' DG C 28 -2.948 -17.547 4.118 1.00 1.80 C ATOM 2675 O4' DG C 28 -3.402 -16.926 2.873 1.00 1.60 O ATOM 2676 C3' DG C 28 -4.095 -18.471 4.519 1.00 1.93 C ATOM 2677 O3' DG C 28 -5.118 -17.782 5.235 1.00 2.04 O ATOM 2678 C2' DG C 28 -4.645 -18.928 3.177 1.00 1.78 C ATOM 2679 C1' DG C 28 -4.456 -17.685 2.317 1.00 1.59 C ATOM 2680 N9 DG C 28 -4.101 -17.984 0.902 1.00 1.43 N ATOM 2681 C8 DG C 28 -3.288 -18.977 0.397 1.00 1.44 C ATOM 2682 N7 DG C 28 -3.184 -18.969 -0.907 1.00 1.33 N ATOM 2683 C5 DG C 28 -3.979 -17.892 -1.305 1.00 1.24 C ATOM 2684 C6 DG C 28 -4.255 -17.389 -2.595 1.00 1.17 C ATOM 2685 O6 DG C 28 -3.850 -17.788 -3.687 1.00 1.18 O ATOM 2686 N1 DG C 28 -5.120 -16.280 -2.540 1.00 1.19 N ATOM 2687 C2 DG C 28 -5.646 -15.744 -1.384 1.00 1.27 C ATOM 2688 N2 DG C 28 -6.454 -14.691 -1.537 1.00 1.35 N ATOM 2689 N3 DG C 28 -5.380 -16.213 -0.168 1.00 1.33 N ATOM 2690 C4 DG C 28 -4.544 -17.284 -0.198 1.00 1.31 C ATOM 0 H5' DG C 28 -0.995 -17.570 3.231 1.00 1.79 H new ATOM 0 H5'' DG C 28 -1.073 -18.327 4.810 1.00 1.79 H new ATOM 0 H4' DG C 28 -2.753 -16.868 4.948 1.00 1.80 H new ATOM 0 H3' DG C 28 -3.761 -19.275 5.175 1.00 1.93 H new ATOM 0 H2' DG C 28 -4.098 -19.784 2.782 1.00 1.78 H new ATOM 0 H2'' DG C 28 -5.692 -19.222 3.244 1.00 1.78 H new ATOM 0 H1' DG C 28 -5.408 -17.154 2.308 1.00 1.59 H new ATOM 0 H8 DG C 28 -2.782 -19.697 1.023 1.00 1.44 H new ATOM 0 H1 DG C 28 -5.377 -15.839 -3.423 1.00 1.19 H new ATOM 0 H21 DG C 28 -6.875 -14.249 -0.720 1.00 1.35 H new ATOM 0 H22 DG C 28 -6.649 -14.330 -2.471 1.00 1.35 H new ATOM 2702 P DT C 29 -6.606 -18.356 5.219 1.00 2.11 P ATOM 2703 OP1 DT C 29 -7.275 -18.036 6.494 1.00 2.33 O ATOM 2704 OP2 DT C 29 -6.573 -19.790 4.846 1.00 2.12 O ATOM 2705 O5' DT C 29 -7.259 -17.515 4.033 1.00 1.95 O ATOM 2706 C5' DT C 29 -7.046 -16.081 3.993 1.00 1.92 C ATOM 2707 C4' DT C 29 -8.271 -15.397 3.435 1.00 1.94 C ATOM 2708 O4' DT C 29 -8.233 -15.490 1.975 1.00 1.76 O ATOM 2709 C3' DT C 29 -9.620 -16.003 3.814 1.00 2.08 C ATOM 2710 O3' DT C 29 -10.681 -15.056 3.723 1.00 2.19 O ATOM 2711 C2' DT C 29 -9.818 -17.077 2.757 1.00 1.95 C ATOM 2712 C1' DT C 29 -9.184 -16.437 1.530 1.00 1.77 C ATOM 2713 N1 DT C 29 -8.484 -17.403 0.643 1.00 1.62 N ATOM 2714 C2 DT C 29 -8.581 -17.198 -0.719 1.00 1.52 C ATOM 2715 O2 DT C 29 -9.208 -16.270 -1.201 1.00 1.57 O ATOM 2716 N3 DT C 29 -7.914 -18.118 -1.502 1.00 1.43 N ATOM 2717 C4 DT C 29 -7.185 -19.198 -1.062 1.00 1.45 C ATOM 2718 O4 DT C 29 -6.629 -19.959 -1.864 1.00 1.42 O ATOM 2719 C5 DT C 29 -7.142 -19.336 0.374 1.00 1.56 C ATOM 2720 C7 DT C 29 -6.349 -20.495 0.900 1.00 1.65 C ATOM 2721 C6 DT C 29 -7.775 -18.453 1.172 1.00 1.64 C ATOM 0 H5' DT C 29 -6.177 -15.850 3.377 1.00 1.92 H new ATOM 0 H5'' DT C 29 -6.834 -15.708 4.995 1.00 1.92 H new ATOM 0 H4' DT C 29 -8.220 -14.392 3.853 1.00 1.94 H new ATOM 0 H3' DT C 29 -9.629 -16.365 4.842 1.00 2.08 H new ATOM 0 H2' DT C 29 -9.327 -18.012 3.029 1.00 1.95 H new ATOM 0 H2'' DT C 29 -10.872 -17.304 2.599 1.00 1.95 H new ATOM 0 HO3' DT C 29 -11.526 -15.486 3.972 1.00 2.19 H new ATOM 0 H1' DT C 29 -9.991 -15.992 0.948 1.00 1.77 H new ATOM 0 H3 DT C 29 -7.967 -17.983 -2.512 1.00 1.43 H new ATOM 0 H71 DT C 29 -6.377 -21.312 0.179 1.00 1.65 H new ATOM 0 H72 DT C 29 -5.316 -20.187 1.059 1.00 1.65 H new ATOM 0 H73 DT C 29 -6.777 -20.830 1.845 1.00 1.65 H new ATOM 0 H6 DT C 29 -7.724 -18.573 2.244 1.00 1.64 H new TER 2735 DT C 29