USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 913 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 38 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-4.7!) USER MOD Set 2.1: A 16 THR OG1 : rot -140:sc= -0.156 USER MOD Set 2.2: A 29 ASN : amide:sc= -5.35! C(o=-6.5!,f=-6.8!) USER MOD Set 2.3: C 125 DT C7 :methyl 150:sc= -1.01 (180deg=-0.45) USER MOD Single : A 1 LYS N :NH3+ -160:sc= -0.102 (180deg=-0.644) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -155:sc= -1.09! USER MOD Single : A 8 SER OG : rot 84:sc= 0.0897 USER MOD Single : A 9 ASN : amide:sc= -1.79! K(o=-1.8!,f=-0.14) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -140:sc= -0.375 USER MOD Single : A 15 THR OG1 : rot -138:sc= 0.707 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 154:sc= -0.409 (180deg=-1.35!) USER MOD Single : A 39 GLN : amide:sc=-0.00539 K(o=-0.0054,f=-1) USER MOD Single : A 41 ASN : amide:sc= -0.978! C(o=-0.98!,f=-8.6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00423 USER MOD Single : A 46 MET CE :methyl -152:sc= -1.04 (180deg=-2.08) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 55 ASN : amide:sc= -0.791 K(o=-0.79,f=-0.052) USER MOD Single : A 57 LYS NZ :NH3+ -115:sc= 2.4 (180deg=-0.937) USER MOD Single : A 59 SER OG : rot 112:sc= 0.00142 USER MOD Single : A 60 SER OG : rot 180:sc= -0.32 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 140:sc= -0.145 (180deg=-1.12) USER MOD Single : B 101 DG O5' : rot 180:sc=-0.00786 USER MOD Single : B 102 DT C7 :methyl -30:sc= -0.0657 (180deg=-0.419) USER MOD Single : B 103 DT C7 :methyl -30:sc= -0.406 (180deg=-1.07) USER MOD Single : B 109 DT C7 :methyl 150:sc= -2.8! (180deg=-2.8!) USER MOD Single : B 115 DT C7 :methyl -30:sc= -0.129 (180deg=-0.184) USER MOD Single : B 116 DT C7 :methyl 150:sc= -0.989 (180deg=-0.989) USER MOD Single : B 116 DT O3' : rot 180:sc= 0 USER MOD Single : C 117 DA O5' : rot 32:sc= 0.0997 USER MOD Single : C 119 DT C7 :methyl -30:sc= -0.185 (180deg=-0.94) USER MOD Single : C 121 DT C7 :methyl 150:sc= -0.727 (180deg=-0.727) USER MOD Single : C 122 DT C7 :methyl 150:sc= -0.216 (180deg=-0.216) USER MOD Single : C 123 DT C7 :methyl -30:sc= -0.577 (180deg=-3.67) USER MOD Single : C 127 DT C7 :methyl -30:sc= -1.24 (180deg=-1.43) USER MOD Single : C 132 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG B 101 20.101 22.782 9.222 1.00 0.00 O ATOM 2 C5' DG B 101 20.394 22.358 10.554 1.00 0.00 C ATOM 3 C4' DG B 101 19.244 21.540 11.149 1.00 0.00 C ATOM 4 O4' DG B 101 18.108 22.394 11.414 1.00 0.00 O ATOM 5 C3' DG B 101 18.789 20.421 10.208 1.00 0.00 C ATOM 6 O3' DG B 101 18.750 19.178 10.914 1.00 0.00 O ATOM 7 C2' DG B 101 17.402 20.824 9.745 1.00 0.00 C ATOM 8 C1' DG B 101 16.967 21.997 10.622 1.00 0.00 C ATOM 9 N9 DG B 101 16.484 23.138 9.813 1.00 0.00 N ATOM 10 C8 DG B 101 17.064 23.733 8.729 1.00 0.00 C ATOM 11 N7 DG B 101 16.409 24.742 8.235 1.00 0.00 N ATOM 12 C5 DG B 101 15.289 24.832 9.059 1.00 0.00 C ATOM 13 C6 DG B 101 14.200 25.746 9.019 1.00 0.00 C ATOM 14 O6 DG B 101 14.017 26.685 8.246 1.00 0.00 O ATOM 15 N1 DG B 101 13.284 25.490 10.029 1.00 0.00 N ATOM 16 C2 DG B 101 13.396 24.485 10.966 1.00 0.00 C ATOM 17 N2 DG B 101 12.413 24.407 11.863 1.00 0.00 N ATOM 18 N3 DG B 101 14.417 23.621 11.008 1.00 0.00 N ATOM 19 C4 DG B 101 15.324 23.853 10.028 1.00 0.00 C ATOM 0 H5' DG B 101 20.584 23.229 11.181 1.00 0.00 H new ATOM 0 H5'' DG B 101 21.305 21.760 10.554 1.00 0.00 H new ATOM 0 H4' DG B 101 19.618 21.096 12.072 1.00 0.00 H new ATOM 0 H3' DG B 101 19.466 20.287 9.364 1.00 0.00 H new ATOM 0 H2' DG B 101 17.414 21.111 8.694 1.00 0.00 H new ATOM 0 H2'' DG B 101 16.705 19.991 9.840 1.00 0.00 H new ATOM 0 HO5' DG B 101 20.854 23.303 8.871 1.00 0.00 H new ATOM 0 H1' DG B 101 16.137 21.688 11.257 1.00 0.00 H new ATOM 0 H8 DG B 101 17.999 23.390 8.312 1.00 0.00 H new ATOM 0 H1 DG B 101 12.463 26.093 10.083 1.00 0.00 H new ATOM 0 H21 DG B 101 12.436 23.685 12.583 1.00 0.00 H new ATOM 0 H22 DG B 101 11.638 25.069 11.829 1.00 0.00 H new ATOM 32 P DT B 102 18.247 17.820 10.209 1.00 0.00 P ATOM 33 OP1 DT B 102 18.922 16.678 10.865 1.00 0.00 O ATOM 34 OP2 DT B 102 18.339 17.992 8.743 1.00 0.00 O ATOM 35 O5' DT B 102 16.691 17.786 10.619 1.00 0.00 O ATOM 36 C5' DT B 102 16.347 17.751 12.002 1.00 0.00 C ATOM 37 C4' DT B 102 14.836 17.724 12.238 1.00 0.00 C ATOM 38 O4' DT B 102 14.235 18.991 11.867 1.00 0.00 O ATOM 39 C3' DT B 102 14.127 16.629 11.436 1.00 0.00 C ATOM 40 O3' DT B 102 13.487 15.727 12.335 1.00 0.00 O ATOM 41 C2' DT B 102 13.095 17.333 10.587 1.00 0.00 C ATOM 42 C1' DT B 102 13.036 18.769 11.086 1.00 0.00 C ATOM 43 N1 DT B 102 12.929 19.746 9.962 1.00 0.00 N ATOM 44 C2 DT B 102 11.823 20.589 9.921 1.00 0.00 C ATOM 45 O2 DT B 102 10.922 20.522 10.754 1.00 0.00 O ATOM 46 N3 DT B 102 11.785 21.499 8.877 1.00 0.00 N ATOM 47 C4 DT B 102 12.735 21.635 7.882 1.00 0.00 C ATOM 48 O4 DT B 102 12.609 22.491 7.009 1.00 0.00 O ATOM 49 C5 DT B 102 13.845 20.714 7.998 1.00 0.00 C ATOM 50 C7 DT B 102 14.948 20.743 6.937 1.00 0.00 C ATOM 51 C6 DT B 102 13.906 19.820 9.014 1.00 0.00 C ATOM 0 H5' DT B 102 16.772 18.623 12.499 1.00 0.00 H new ATOM 0 H5'' DT B 102 16.797 16.871 12.461 1.00 0.00 H new ATOM 0 H4' DT B 102 14.710 17.523 13.302 1.00 0.00 H new ATOM 0 H3' DT B 102 14.823 16.059 10.820 1.00 0.00 H new ATOM 0 H2' DT B 102 13.371 17.299 9.533 1.00 0.00 H new ATOM 0 H2'' DT B 102 12.122 16.850 10.678 1.00 0.00 H new ATOM 0 H1' DT B 102 12.144 18.922 11.693 1.00 0.00 H new ATOM 0 H3 DT B 102 10.982 22.127 8.839 1.00 0.00 H new ATOM 0 H71 DT B 102 14.527 21.061 5.983 1.00 0.00 H new ATOM 0 H72 DT B 102 15.727 21.442 7.241 1.00 0.00 H new ATOM 0 H73 DT B 102 15.377 19.747 6.830 1.00 0.00 H new ATOM 0 H6 DT B 102 14.750 19.149 9.075 1.00 0.00 H new ATOM 64 P DT B 103 12.651 14.461 11.807 1.00 0.00 P ATOM 65 OP1 DT B 103 12.645 13.425 12.864 1.00 0.00 O ATOM 66 OP2 DT B 103 13.116 14.129 10.442 1.00 0.00 O ATOM 67 O5' DT B 103 11.174 15.095 11.699 1.00 0.00 O ATOM 68 C5' DT B 103 10.554 15.625 12.875 1.00 0.00 C ATOM 69 C4' DT B 103 9.154 16.189 12.607 1.00 0.00 C ATOM 70 O4' DT B 103 9.215 17.421 11.840 1.00 0.00 O ATOM 71 C3' DT B 103 8.280 15.195 11.835 1.00 0.00 C ATOM 72 O3' DT B 103 7.161 14.828 12.638 1.00 0.00 O ATOM 73 C2' DT B 103 7.819 15.932 10.596 1.00 0.00 C ATOM 74 C1' DT B 103 8.218 17.388 10.796 1.00 0.00 C ATOM 75 N1 DT B 103 8.724 17.999 9.535 1.00 0.00 N ATOM 76 C2 DT B 103 8.050 19.096 9.011 1.00 0.00 C ATOM 77 O2 DT B 103 7.038 19.553 9.538 1.00 0.00 O ATOM 78 N3 DT B 103 8.580 19.639 7.856 1.00 0.00 N ATOM 79 C4 DT B 103 9.705 19.192 7.189 1.00 0.00 C ATOM 80 O4 DT B 103 10.086 19.743 6.162 1.00 0.00 O ATOM 81 C5 DT B 103 10.340 18.054 7.804 1.00 0.00 C ATOM 82 C7 DT B 103 11.602 17.475 7.167 1.00 0.00 C ATOM 83 C6 DT B 103 9.840 17.505 8.932 1.00 0.00 C ATOM 0 H5' DT B 103 11.184 16.412 13.289 1.00 0.00 H new ATOM 0 H5'' DT B 103 10.486 14.841 13.629 1.00 0.00 H new ATOM 0 H4' DT B 103 8.714 16.381 13.586 1.00 0.00 H new ATOM 0 H3' DT B 103 8.819 14.283 11.577 1.00 0.00 H new ATOM 0 H2' DT B 103 8.286 15.520 9.701 1.00 0.00 H new ATOM 0 H2'' DT B 103 6.741 15.838 10.465 1.00 0.00 H new ATOM 0 H1' DT B 103 7.349 17.980 11.084 1.00 0.00 H new ATOM 0 H3 DT B 103 8.096 20.444 7.459 1.00 0.00 H new ATOM 0 H71 DT B 103 11.574 17.639 6.090 1.00 0.00 H new ATOM 0 H72 DT B 103 12.480 17.967 7.586 1.00 0.00 H new ATOM 0 H73 DT B 103 11.654 16.405 7.370 1.00 0.00 H new ATOM 0 H6 DT B 103 10.339 16.652 9.367 1.00 0.00 H new ATOM 96 P DG B 104 6.115 13.708 12.163 1.00 0.00 P ATOM 97 OP1 DG B 104 5.468 13.138 13.367 1.00 0.00 O ATOM 98 OP2 DG B 104 6.802 12.815 11.204 1.00 0.00 O ATOM 99 O5' DG B 104 5.010 14.552 11.357 1.00 0.00 O ATOM 100 C5' DG B 104 4.275 15.586 12.013 1.00 0.00 C ATOM 101 C4' DG B 104 3.270 16.245 11.069 1.00 0.00 C ATOM 102 O4' DG B 104 3.954 17.028 10.055 1.00 0.00 O ATOM 103 C3' DG B 104 2.426 15.181 10.356 1.00 0.00 C ATOM 104 O3' DG B 104 1.035 15.465 10.502 1.00 0.00 O ATOM 105 C2' DG B 104 2.811 15.274 8.905 1.00 0.00 C ATOM 106 C1' DG B 104 3.580 16.571 8.735 1.00 0.00 C ATOM 107 N9 DG B 104 4.760 16.389 7.862 1.00 0.00 N ATOM 108 C8 DG B 104 5.758 15.462 7.938 1.00 0.00 C ATOM 109 N7 DG B 104 6.681 15.563 7.026 1.00 0.00 N ATOM 110 C5 DG B 104 6.260 16.657 6.269 1.00 0.00 C ATOM 111 C6 DG B 104 6.854 17.258 5.121 1.00 0.00 C ATOM 112 O6 DG B 104 7.890 16.941 4.538 1.00 0.00 O ATOM 113 N1 DG B 104 6.103 18.334 4.665 1.00 0.00 N ATOM 114 C2 DG B 104 4.929 18.779 5.235 1.00 0.00 C ATOM 115 N2 DG B 104 4.339 19.814 4.637 1.00 0.00 N ATOM 116 N3 DG B 104 4.371 18.220 6.312 1.00 0.00 N ATOM 117 C4 DG B 104 5.085 17.168 6.774 1.00 0.00 C ATOM 0 H5' DG B 104 4.965 16.339 12.394 1.00 0.00 H new ATOM 0 H5'' DG B 104 3.750 15.171 12.873 1.00 0.00 H new ATOM 0 H4' DG B 104 2.632 16.892 11.671 1.00 0.00 H new ATOM 0 H3' DG B 104 2.601 14.188 10.770 1.00 0.00 H new ATOM 0 H2' DG B 104 3.423 14.421 8.613 1.00 0.00 H new ATOM 0 H2'' DG B 104 1.926 15.264 8.269 1.00 0.00 H new ATOM 0 H1' DG B 104 2.958 17.319 8.243 1.00 0.00 H new ATOM 0 H8 DG B 104 5.781 14.698 8.701 1.00 0.00 H new ATOM 0 H1 DG B 104 6.447 18.834 3.845 1.00 0.00 H new ATOM 0 H21 DG B 104 3.467 20.190 5.011 1.00 0.00 H new ATOM 0 H22 DG B 104 4.759 20.230 3.806 1.00 0.00 H new ATOM 129 P DC B 105 -0.086 14.499 9.861 1.00 0.00 P ATOM 130 OP1 DC B 105 -1.306 14.592 10.694 1.00 0.00 O ATOM 131 OP2 DC B 105 0.543 13.180 9.622 1.00 0.00 O ATOM 132 O5' DC B 105 -0.405 15.153 8.419 1.00 0.00 O ATOM 133 C5' DC B 105 -0.903 16.489 8.329 1.00 0.00 C ATOM 134 C4' DC B 105 -1.151 16.931 6.877 1.00 0.00 C ATOM 135 O4' DC B 105 0.097 17.111 6.158 1.00 0.00 O ATOM 136 C3' DC B 105 -1.987 15.902 6.101 1.00 0.00 C ATOM 137 O3' DC B 105 -3.124 16.552 5.526 1.00 0.00 O ATOM 138 C2' DC B 105 -1.083 15.371 5.015 1.00 0.00 C ATOM 139 C1' DC B 105 0.092 16.334 4.933 1.00 0.00 C ATOM 140 N1 DC B 105 1.396 15.633 4.746 1.00 0.00 N ATOM 141 C2 DC B 105 2.176 15.973 3.644 1.00 0.00 C ATOM 142 O2 DC B 105 1.758 16.787 2.823 1.00 0.00 O ATOM 143 N3 DC B 105 3.396 15.388 3.506 1.00 0.00 N ATOM 144 C4 DC B 105 3.842 14.505 4.408 1.00 0.00 C ATOM 145 N4 DC B 105 5.046 13.957 4.244 1.00 0.00 N ATOM 146 C5 DC B 105 3.045 14.149 5.540 1.00 0.00 C ATOM 147 C6 DC B 105 1.835 14.732 5.664 1.00 0.00 C ATOM 0 H5' DC B 105 -0.192 17.170 8.796 1.00 0.00 H new ATOM 0 H5'' DC B 105 -1.833 16.565 8.892 1.00 0.00 H new ATOM 0 H4' DC B 105 -1.691 17.875 6.941 1.00 0.00 H new ATOM 0 H3' DC B 105 -2.349 15.098 6.742 1.00 0.00 H new ATOM 0 H2' DC B 105 -0.744 14.362 5.249 1.00 0.00 H new ATOM 0 H2'' DC B 105 -1.609 15.317 4.062 1.00 0.00 H new ATOM 0 H1' DC B 105 -0.027 16.975 4.059 1.00 0.00 H new ATOM 0 H41 DC B 105 5.397 13.283 4.925 1.00 0.00 H new ATOM 0 H42 DC B 105 5.617 14.212 3.438 1.00 0.00 H new ATOM 0 H5 DC B 105 3.400 13.437 6.271 1.00 0.00 H new ATOM 0 H6 DC B 105 1.206 14.479 6.505 1.00 0.00 H new ATOM 159 P DA B 106 -4.212 15.754 4.645 1.00 0.00 P ATOM 160 OP1 DA B 106 -5.533 16.386 4.857 1.00 0.00 O ATOM 161 OP2 DA B 106 -4.040 14.307 4.903 1.00 0.00 O ATOM 162 O5' DA B 106 -3.757 16.048 3.127 1.00 0.00 O ATOM 163 C5' DA B 106 -3.711 17.395 2.647 1.00 0.00 C ATOM 164 C4' DA B 106 -3.258 17.480 1.185 1.00 0.00 C ATOM 165 O4' DA B 106 -1.856 17.133 1.047 1.00 0.00 O ATOM 166 C3' DA B 106 -4.064 16.536 0.289 1.00 0.00 C ATOM 167 O3' DA B 106 -4.679 17.277 -0.758 1.00 0.00 O ATOM 168 C2' DA B 106 -3.066 15.566 -0.303 1.00 0.00 C ATOM 169 C1' DA B 106 -1.683 16.082 0.062 1.00 0.00 C ATOM 170 N9 DA B 106 -0.847 15.002 0.596 1.00 0.00 N ATOM 171 C8 DA B 106 -1.108 14.210 1.650 1.00 0.00 C ATOM 172 N7 DA B 106 -0.179 13.360 1.956 1.00 0.00 N ATOM 173 C5 DA B 106 0.798 13.611 0.994 1.00 0.00 C ATOM 174 C6 DA B 106 2.052 13.042 0.746 1.00 0.00 C ATOM 175 N6 DA B 106 2.579 12.076 1.498 1.00 0.00 N ATOM 176 N1 DA B 106 2.752 13.523 -0.295 1.00 0.00 N ATOM 177 C2 DA B 106 2.252 14.503 -1.046 1.00 0.00 C ATOM 178 N3 DA B 106 1.079 15.114 -0.895 1.00 0.00 N ATOM 179 C4 DA B 106 0.397 14.610 0.155 1.00 0.00 C ATOM 0 H5' DA B 106 -3.031 17.976 3.269 1.00 0.00 H new ATOM 0 H5'' DA B 106 -4.698 17.847 2.745 1.00 0.00 H new ATOM 0 H4' DA B 106 -3.421 18.512 0.875 1.00 0.00 H new ATOM 0 H3' DA B 106 -4.845 16.022 0.850 1.00 0.00 H new ATOM 0 H2' DA B 106 -3.221 14.562 0.093 1.00 0.00 H new ATOM 0 H2'' DA B 106 -3.182 15.504 -1.385 1.00 0.00 H new ATOM 0 H1' DA B 106 -1.178 16.469 -0.823 1.00 0.00 H new ATOM 0 H8 DA B 106 -2.032 14.278 2.206 1.00 0.00 H new ATOM 0 H61 DA B 106 3.498 11.697 1.271 1.00 0.00 H new ATOM 0 H62 DA B 106 2.063 11.716 2.301 1.00 0.00 H new ATOM 0 H2 DA B 106 2.866 14.839 -1.868 1.00 0.00 H new ATOM 191 P DG B 107 -5.589 16.538 -1.849 1.00 0.00 P ATOM 192 OP1 DG B 107 -6.519 17.529 -2.434 1.00 0.00 O ATOM 193 OP2 DG B 107 -6.106 15.283 -1.259 1.00 0.00 O ATOM 194 O5' DG B 107 -4.479 16.168 -2.948 1.00 0.00 O ATOM 195 C5' DG B 107 -3.725 17.204 -3.574 1.00 0.00 C ATOM 196 C4' DG B 107 -2.720 16.641 -4.580 1.00 0.00 C ATOM 197 O4' DG B 107 -1.635 15.947 -3.909 1.00 0.00 O ATOM 198 C3' DG B 107 -3.379 15.653 -5.549 1.00 0.00 C ATOM 199 O3' DG B 107 -3.240 16.117 -6.897 1.00 0.00 O ATOM 200 C2' DG B 107 -2.637 14.349 -5.355 1.00 0.00 C ATOM 201 C1' DG B 107 -1.386 14.683 -4.563 1.00 0.00 C ATOM 202 N9 DG B 107 -1.022 13.617 -3.589 1.00 0.00 N ATOM 203 C8 DG B 107 -1.707 13.139 -2.494 1.00 0.00 C ATOM 204 N7 DG B 107 -1.082 12.249 -1.801 1.00 0.00 N ATOM 205 C5 DG B 107 0.121 12.098 -2.469 1.00 0.00 C ATOM 206 C6 DG B 107 1.209 11.251 -2.163 1.00 0.00 C ATOM 207 O6 DG B 107 1.320 10.480 -1.217 1.00 0.00 O ATOM 208 N1 DG B 107 2.238 11.386 -3.083 1.00 0.00 N ATOM 209 C2 DG B 107 2.222 12.237 -4.168 1.00 0.00 C ATOM 210 N2 DG B 107 3.307 12.215 -4.946 1.00 0.00 N ATOM 211 N3 DG B 107 1.192 13.046 -4.460 1.00 0.00 N ATOM 212 C4 DG B 107 0.176 12.923 -3.568 1.00 0.00 C ATOM 0 H5' DG B 107 -3.196 17.780 -2.814 1.00 0.00 H new ATOM 0 H5'' DG B 107 -4.402 17.892 -4.081 1.00 0.00 H new ATOM 0 H4' DG B 107 -2.334 17.497 -5.133 1.00 0.00 H new ATOM 0 H3' DG B 107 -4.447 15.541 -5.359 1.00 0.00 H new ATOM 0 H2' DG B 107 -3.254 13.627 -4.821 1.00 0.00 H new ATOM 0 H2'' DG B 107 -2.381 13.901 -6.315 1.00 0.00 H new ATOM 0 H1' DG B 107 -0.527 14.753 -5.231 1.00 0.00 H new ATOM 0 H8 DG B 107 -2.697 13.485 -2.234 1.00 0.00 H new ATOM 0 H1 DG B 107 3.070 10.812 -2.947 1.00 0.00 H new ATOM 0 H21 DG B 107 3.359 12.820 -5.765 1.00 0.00 H new ATOM 0 H22 DG B 107 4.083 11.593 -4.721 1.00 0.00 H new ATOM 224 P DA B 108 -3.840 15.277 -8.133 1.00 0.00 P ATOM 225 OP1 DA B 108 -4.292 16.235 -9.168 1.00 0.00 O ATOM 226 OP2 DA B 108 -4.785 14.272 -7.597 1.00 0.00 O ATOM 227 O5' DA B 108 -2.540 14.503 -8.697 1.00 0.00 O ATOM 228 C5' DA B 108 -1.416 15.257 -9.163 1.00 0.00 C ATOM 229 C4' DA B 108 -0.266 14.370 -9.665 1.00 0.00 C ATOM 230 O4' DA B 108 0.388 13.681 -8.562 1.00 0.00 O ATOM 231 C3' DA B 108 -0.754 13.309 -10.655 1.00 0.00 C ATOM 232 O3' DA B 108 0.034 13.368 -11.847 1.00 0.00 O ATOM 233 C2' DA B 108 -0.554 11.987 -9.954 1.00 0.00 C ATOM 234 C1' DA B 108 0.394 12.250 -8.797 1.00 0.00 C ATOM 235 N9 DA B 108 0.002 11.505 -7.572 1.00 0.00 N ATOM 236 C8 DA B 108 -1.181 11.534 -6.889 1.00 0.00 C ATOM 237 N7 DA B 108 -1.197 10.870 -5.775 1.00 0.00 N ATOM 238 C5 DA B 108 0.088 10.341 -5.705 1.00 0.00 C ATOM 239 C6 DA B 108 0.721 9.534 -4.759 1.00 0.00 C ATOM 240 N6 DA B 108 0.152 9.178 -3.615 1.00 0.00 N ATOM 241 N1 DA B 108 1.989 9.174 -4.994 1.00 0.00 N ATOM 242 C2 DA B 108 2.612 9.589 -6.090 1.00 0.00 C ATOM 243 N3 DA B 108 2.112 10.371 -7.053 1.00 0.00 N ATOM 244 C4 DA B 108 0.828 10.712 -6.792 1.00 0.00 C ATOM 0 H5' DA B 108 -1.052 15.893 -8.356 1.00 0.00 H new ATOM 0 H5'' DA B 108 -1.737 15.917 -9.969 1.00 0.00 H new ATOM 0 H4' DA B 108 0.436 15.039 -10.162 1.00 0.00 H new ATOM 0 H3' DA B 108 -1.795 13.456 -10.943 1.00 0.00 H new ATOM 0 H2' DA B 108 -1.504 11.591 -9.595 1.00 0.00 H new ATOM 0 H2'' DA B 108 -0.137 11.246 -10.636 1.00 0.00 H new ATOM 0 H1' DA B 108 1.395 11.899 -9.049 1.00 0.00 H new ATOM 0 H8 DA B 108 -2.044 12.073 -7.252 1.00 0.00 H new ATOM 0 H61 DA B 108 0.658 8.586 -2.956 1.00 0.00 H new ATOM 0 H62 DA B 108 -0.791 9.496 -3.394 1.00 0.00 H new ATOM 0 H2 DA B 108 3.633 9.260 -6.218 1.00 0.00 H new ATOM 256 P DT B 109 -0.229 12.377 -13.088 1.00 0.00 P ATOM 257 OP1 DT B 109 0.058 13.113 -14.340 1.00 0.00 O ATOM 258 OP2 DT B 109 -1.547 11.734 -12.896 1.00 0.00 O ATOM 259 O5' DT B 109 0.909 11.254 -12.896 1.00 0.00 O ATOM 260 C5' DT B 109 2.284 11.643 -12.911 1.00 0.00 C ATOM 261 C4' DT B 109 3.232 10.457 -12.716 1.00 0.00 C ATOM 262 O4' DT B 109 3.134 9.931 -11.366 1.00 0.00 O ATOM 263 C3' DT B 109 2.913 9.317 -13.696 1.00 0.00 C ATOM 264 O3' DT B 109 4.035 9.061 -14.534 1.00 0.00 O ATOM 265 C2' DT B 109 2.634 8.102 -12.837 1.00 0.00 C ATOM 266 C1' DT B 109 2.937 8.499 -11.397 1.00 0.00 C ATOM 267 N1 DT B 109 1.831 8.098 -10.485 1.00 0.00 N ATOM 268 C2 DT B 109 2.109 7.222 -9.442 1.00 0.00 C ATOM 269 O2 DT B 109 3.222 6.725 -9.284 1.00 0.00 O ATOM 270 N3 DT B 109 1.056 6.930 -8.595 1.00 0.00 N ATOM 271 C4 DT B 109 -0.231 7.431 -8.696 1.00 0.00 C ATOM 272 O4 DT B 109 -1.090 7.121 -7.881 1.00 0.00 O ATOM 273 C5 DT B 109 -0.429 8.327 -9.810 1.00 0.00 C ATOM 274 C7 DT B 109 -1.818 8.937 -10.028 1.00 0.00 C ATOM 275 C6 DT B 109 0.587 8.624 -10.651 1.00 0.00 C ATOM 0 H5' DT B 109 2.459 12.377 -12.124 1.00 0.00 H new ATOM 0 H5'' DT B 109 2.509 12.132 -13.859 1.00 0.00 H new ATOM 0 H4' DT B 109 4.240 10.828 -12.901 1.00 0.00 H new ATOM 0 H3' DT B 109 2.068 9.567 -14.338 1.00 0.00 H new ATOM 0 H2' DT B 109 1.596 7.786 -12.940 1.00 0.00 H new ATOM 0 H2'' DT B 109 3.255 7.261 -13.145 1.00 0.00 H new ATOM 0 H1' DT B 109 3.834 7.986 -11.051 1.00 0.00 H new ATOM 0 H3 DT B 109 1.244 6.287 -7.826 1.00 0.00 H new ATOM 0 H71 DT B 109 -1.716 9.916 -10.496 1.00 0.00 H new ATOM 0 H72 DT B 109 -2.404 8.285 -10.675 1.00 0.00 H new ATOM 0 H73 DT B 109 -2.323 9.045 -9.068 1.00 0.00 H new ATOM 0 H6 DT B 109 0.407 9.297 -11.477 1.00 0.00 H new ATOM 288 P DA B 110 3.934 8.037 -15.772 1.00 0.00 P ATOM 289 OP1 DA B 110 5.016 8.349 -16.732 1.00 0.00 O ATOM 290 OP2 DA B 110 2.526 7.997 -16.228 1.00 0.00 O ATOM 291 O5' DA B 110 4.272 6.638 -15.059 1.00 0.00 O ATOM 292 C5' DA B 110 5.528 6.463 -14.413 1.00 0.00 C ATOM 293 C4' DA B 110 5.647 5.088 -13.756 1.00 0.00 C ATOM 294 O4' DA B 110 4.680 4.957 -12.670 1.00 0.00 O ATOM 295 C3' DA B 110 5.371 3.957 -14.746 1.00 0.00 C ATOM 296 O3' DA B 110 6.431 3.000 -14.652 1.00 0.00 O ATOM 297 C2' DA B 110 4.048 3.361 -14.341 1.00 0.00 C ATOM 298 C1' DA B 110 3.763 3.860 -12.933 1.00 0.00 C ATOM 299 N9 DA B 110 2.346 4.284 -12.779 1.00 0.00 N ATOM 300 C8 DA B 110 1.609 5.128 -13.561 1.00 0.00 C ATOM 301 N7 DA B 110 0.381 5.311 -13.176 1.00 0.00 N ATOM 302 C5 DA B 110 0.285 4.522 -12.032 1.00 0.00 C ATOM 303 C6 DA B 110 -0.768 4.274 -11.142 1.00 0.00 C ATOM 304 N6 DA B 110 -1.980 4.812 -11.277 1.00 0.00 N ATOM 305 N1 DA B 110 -0.527 3.444 -10.113 1.00 0.00 N ATOM 306 C2 DA B 110 0.675 2.890 -9.965 1.00 0.00 C ATOM 307 N3 DA B 110 1.742 3.055 -10.751 1.00 0.00 N ATOM 308 C4 DA B 110 1.473 3.894 -11.776 1.00 0.00 C ATOM 0 H5' DA B 110 5.658 7.238 -13.658 1.00 0.00 H new ATOM 0 H5'' DA B 110 6.330 6.588 -15.140 1.00 0.00 H new ATOM 0 H4' DA B 110 6.669 5.011 -13.385 1.00 0.00 H new ATOM 0 H3' DA B 110 5.326 4.298 -15.780 1.00 0.00 H new ATOM 0 H2' DA B 110 3.259 3.666 -15.028 1.00 0.00 H new ATOM 0 H2'' DA B 110 4.089 2.272 -14.366 1.00 0.00 H new ATOM 0 H1' DA B 110 3.915 3.058 -12.210 1.00 0.00 H new ATOM 0 H8 DA B 110 2.018 5.609 -14.437 1.00 0.00 H new ATOM 0 H61 DA B 110 -2.712 4.598 -10.599 1.00 0.00 H new ATOM 0 H62 DA B 110 -2.176 5.438 -12.058 1.00 0.00 H new ATOM 0 H2 DA B 110 0.801 2.235 -9.116 1.00 0.00 H new ATOM 320 P DA B 111 6.471 1.670 -15.554 1.00 0.00 P ATOM 321 OP1 DA B 111 7.885 1.363 -15.863 1.00 0.00 O ATOM 322 OP2 DA B 111 5.486 1.818 -16.648 1.00 0.00 O ATOM 323 O5' DA B 111 5.925 0.564 -14.523 1.00 0.00 O ATOM 324 C5' DA B 111 6.647 0.338 -13.308 1.00 0.00 C ATOM 325 C4' DA B 111 5.979 -0.704 -12.409 1.00 0.00 C ATOM 326 O4' DA B 111 4.728 -0.187 -11.905 1.00 0.00 O ATOM 327 C3' DA B 111 5.692 -2.020 -13.151 1.00 0.00 C ATOM 328 O3' DA B 111 6.375 -3.105 -12.522 1.00 0.00 O ATOM 329 C2' DA B 111 4.199 -2.232 -13.038 1.00 0.00 C ATOM 330 C1' DA B 111 3.653 -1.116 -12.155 1.00 0.00 C ATOM 331 N9 DA B 111 2.518 -0.446 -12.815 1.00 0.00 N ATOM 332 C8 DA B 111 2.470 0.152 -14.038 1.00 0.00 C ATOM 333 N7 DA B 111 1.306 0.620 -14.378 1.00 0.00 N ATOM 334 C5 DA B 111 0.508 0.302 -13.282 1.00 0.00 C ATOM 335 C6 DA B 111 -0.844 0.516 -12.999 1.00 0.00 C ATOM 336 N6 DA B 111 -1.683 1.116 -13.843 1.00 0.00 N ATOM 337 N1 DA B 111 -1.306 0.073 -11.817 1.00 0.00 N ATOM 338 C2 DA B 111 -0.489 -0.545 -10.966 1.00 0.00 C ATOM 339 N3 DA B 111 0.803 -0.801 -11.136 1.00 0.00 N ATOM 340 C4 DA B 111 1.239 -0.345 -12.327 1.00 0.00 C ATOM 0 H5' DA B 111 6.737 1.278 -12.763 1.00 0.00 H new ATOM 0 H5'' DA B 111 7.659 0.010 -13.547 1.00 0.00 H new ATOM 0 H4' DA B 111 6.674 -0.911 -11.595 1.00 0.00 H new ATOM 0 H3' DA B 111 6.027 -1.974 -14.187 1.00 0.00 H new ATOM 0 H2' DA B 111 3.731 -2.208 -14.022 1.00 0.00 H new ATOM 0 H2'' DA B 111 3.980 -3.208 -12.605 1.00 0.00 H new ATOM 0 H1' DA B 111 3.285 -1.521 -11.212 1.00 0.00 H new ATOM 0 H8 DA B 111 3.336 0.231 -14.678 1.00 0.00 H new ATOM 0 H61 DA B 111 -2.661 1.246 -13.584 1.00 0.00 H new ATOM 0 H62 DA B 111 -1.347 1.445 -14.748 1.00 0.00 H new ATOM 0 H2 DA B 111 -0.925 -0.874 -10.035 1.00 0.00 H new ATOM 352 P DA B 112 6.271 -4.608 -13.099 1.00 0.00 P ATOM 353 OP1 DA B 112 7.468 -5.360 -12.659 1.00 0.00 O ATOM 354 OP2 DA B 112 5.936 -4.530 -14.538 1.00 0.00 O ATOM 355 O5' DA B 112 4.991 -5.187 -12.310 1.00 0.00 O ATOM 356 C5' DA B 112 4.996 -5.251 -10.885 1.00 0.00 C ATOM 357 C4' DA B 112 3.675 -5.789 -10.317 1.00 0.00 C ATOM 358 O4' DA B 112 2.596 -4.866 -10.630 1.00 0.00 O ATOM 359 C3' DA B 112 3.297 -7.149 -10.911 1.00 0.00 C ATOM 360 O3' DA B 112 2.856 -8.021 -9.857 1.00 0.00 O ATOM 361 C2' DA B 112 2.167 -6.866 -11.862 1.00 0.00 C ATOM 362 C1' DA B 112 1.593 -5.523 -11.441 1.00 0.00 C ATOM 363 N9 DA B 112 1.209 -4.705 -12.614 1.00 0.00 N ATOM 364 C8 DA B 112 1.925 -4.403 -13.738 1.00 0.00 C ATOM 365 N7 DA B 112 1.308 -3.657 -14.601 1.00 0.00 N ATOM 366 C5 DA B 112 0.070 -3.443 -14.004 1.00 0.00 C ATOM 367 C6 DA B 112 -1.062 -2.730 -14.408 1.00 0.00 C ATOM 368 N6 DA B 112 -1.132 -2.078 -15.567 1.00 0.00 N ATOM 369 N1 DA B 112 -2.118 -2.723 -13.578 1.00 0.00 N ATOM 370 C2 DA B 112 -2.066 -3.381 -12.420 1.00 0.00 C ATOM 371 N3 DA B 112 -1.046 -4.087 -11.944 1.00 0.00 N ATOM 372 C4 DA B 112 -0.001 -4.074 -12.796 1.00 0.00 C ATOM 0 H5' DA B 112 5.184 -4.256 -10.480 1.00 0.00 H new ATOM 0 H5'' DA B 112 5.816 -5.889 -10.556 1.00 0.00 H new ATOM 0 H4' DA B 112 3.817 -5.896 -9.242 1.00 0.00 H new ATOM 0 H3' DA B 112 4.134 -7.633 -11.415 1.00 0.00 H new ATOM 0 H2' DA B 112 2.523 -6.833 -12.892 1.00 0.00 H new ATOM 0 H2'' DA B 112 1.409 -7.648 -11.811 1.00 0.00 H new ATOM 0 H1' DA B 112 0.677 -5.662 -10.866 1.00 0.00 H new ATOM 0 H8 DA B 112 2.932 -4.760 -13.896 1.00 0.00 H new ATOM 0 H61 DA B 112 -1.981 -1.572 -15.817 1.00 0.00 H new ATOM 0 H62 DA B 112 -0.336 -2.085 -16.205 1.00 0.00 H new ATOM 0 H2 DA B 112 -2.950 -3.335 -11.801 1.00 0.00 H new ATOM 384 P DC B 113 2.383 -9.536 -10.146 1.00 0.00 P ATOM 385 OP1 DC B 113 2.748 -10.351 -8.965 1.00 0.00 O ATOM 386 OP2 DC B 113 2.877 -9.927 -11.485 1.00 0.00 O ATOM 387 O5' DC B 113 0.770 -9.449 -10.205 1.00 0.00 O ATOM 388 C5' DC B 113 0.040 -9.004 -9.056 1.00 0.00 C ATOM 389 C4' DC B 113 -1.482 -8.980 -9.277 1.00 0.00 C ATOM 390 O4' DC B 113 -1.869 -7.913 -10.172 1.00 0.00 O ATOM 391 C3' DC B 113 -2.006 -10.298 -9.859 1.00 0.00 C ATOM 392 O3' DC B 113 -3.026 -10.831 -9.007 1.00 0.00 O ATOM 393 C2' DC B 113 -2.591 -9.946 -11.205 1.00 0.00 C ATOM 394 C1' DC B 113 -2.676 -8.428 -11.258 1.00 0.00 C ATOM 395 N1 DC B 113 -2.200 -7.865 -12.551 1.00 0.00 N ATOM 396 C2 DC B 113 -3.060 -7.032 -13.265 1.00 0.00 C ATOM 397 O2 DC B 113 -4.214 -6.864 -12.876 1.00 0.00 O ATOM 398 N3 DC B 113 -2.589 -6.417 -14.380 1.00 0.00 N ATOM 399 C4 DC B 113 -1.329 -6.599 -14.788 1.00 0.00 C ATOM 400 N4 DC B 113 -0.908 -5.968 -15.884 1.00 0.00 N ATOM 401 C5 DC B 113 -0.438 -7.458 -14.061 1.00 0.00 C ATOM 402 C6 DC B 113 -0.924 -8.072 -12.959 1.00 0.00 C ATOM 0 H5' DC B 113 0.377 -8.004 -8.784 1.00 0.00 H new ATOM 0 H5'' DC B 113 0.268 -9.657 -8.213 1.00 0.00 H new ATOM 0 H4' DC B 113 -1.920 -8.822 -8.291 1.00 0.00 H new ATOM 0 H3' DC B 113 -1.218 -11.047 -9.945 1.00 0.00 H new ATOM 0 H2' DC B 113 -1.965 -10.327 -12.011 1.00 0.00 H new ATOM 0 H2'' DC B 113 -3.577 -10.394 -11.328 1.00 0.00 H new ATOM 0 H1' DC B 113 -3.721 -8.133 -11.164 1.00 0.00 H new ATOM 0 H41 DC B 113 0.050 -6.095 -16.210 1.00 0.00 H new ATOM 0 H42 DC B 113 -1.544 -5.358 -16.397 1.00 0.00 H new ATOM 0 H5 DC B 113 0.582 -7.608 -14.382 1.00 0.00 H new ATOM 0 H6 DC B 113 -0.286 -8.737 -12.396 1.00 0.00 H new ATOM 414 P DA B 114 -3.780 -12.215 -9.346 1.00 0.00 P ATOM 415 OP1 DA B 114 -4.275 -12.797 -8.079 1.00 0.00 O ATOM 416 OP2 DA B 114 -2.902 -13.015 -10.230 1.00 0.00 O ATOM 417 O5' DA B 114 -5.054 -11.726 -10.208 1.00 0.00 O ATOM 418 C5' DA B 114 -6.001 -10.828 -9.619 1.00 0.00 C ATOM 419 C4' DA B 114 -7.152 -10.460 -10.566 1.00 0.00 C ATOM 420 O4' DA B 114 -6.678 -9.608 -11.646 1.00 0.00 O ATOM 421 C3' DA B 114 -7.797 -11.693 -11.205 1.00 0.00 C ATOM 422 O3' DA B 114 -9.209 -11.648 -10.997 1.00 0.00 O ATOM 423 C2' DA B 114 -7.493 -11.608 -12.679 1.00 0.00 C ATOM 424 C1' DA B 114 -6.979 -10.203 -12.934 1.00 0.00 C ATOM 425 N9 DA B 114 -5.795 -10.216 -13.807 1.00 0.00 N ATOM 426 C8 DA B 114 -4.645 -10.905 -13.644 1.00 0.00 C ATOM 427 N7 DA B 114 -3.733 -10.695 -14.543 1.00 0.00 N ATOM 428 C5 DA B 114 -4.344 -9.778 -15.394 1.00 0.00 C ATOM 429 C6 DA B 114 -3.915 -9.141 -16.563 1.00 0.00 C ATOM 430 N6 DA B 114 -2.712 -9.333 -17.097 1.00 0.00 N ATOM 431 N1 DA B 114 -4.774 -8.297 -17.158 1.00 0.00 N ATOM 432 C2 DA B 114 -5.982 -8.089 -16.638 1.00 0.00 C ATOM 433 N3 DA B 114 -6.486 -8.636 -15.531 1.00 0.00 N ATOM 434 C4 DA B 114 -5.603 -9.479 -14.957 1.00 0.00 C ATOM 0 H5' DA B 114 -5.487 -9.918 -9.311 1.00 0.00 H new ATOM 0 H5'' DA B 114 -6.412 -11.283 -8.717 1.00 0.00 H new ATOM 0 H4' DA B 114 -7.890 -9.942 -9.954 1.00 0.00 H new ATOM 0 H3' DA B 114 -7.417 -12.620 -10.775 1.00 0.00 H new ATOM 0 H2' DA B 114 -6.748 -12.351 -12.965 1.00 0.00 H new ATOM 0 H2'' DA B 114 -8.386 -11.808 -13.271 1.00 0.00 H new ATOM 0 H1' DA B 114 -7.735 -9.614 -13.453 1.00 0.00 H new ATOM 0 H8 DA B 114 -4.494 -11.586 -12.820 1.00 0.00 H new ATOM 0 H61 DA B 114 -2.449 -8.843 -17.952 1.00 0.00 H new ATOM 0 H62 DA B 114 -2.052 -9.971 -16.651 1.00 0.00 H new ATOM 0 H2 DA B 114 -6.624 -7.403 -17.171 1.00 0.00 H new ATOM 446 P DT B 115 -10.175 -12.807 -11.551 1.00 0.00 P ATOM 447 OP1 DT B 115 -11.390 -12.844 -10.706 1.00 0.00 O ATOM 448 OP2 DT B 115 -9.365 -14.032 -11.742 1.00 0.00 O ATOM 449 O5' DT B 115 -10.576 -12.231 -13.004 1.00 0.00 O ATOM 450 C5' DT B 115 -11.250 -10.973 -13.097 1.00 0.00 C ATOM 451 C4' DT B 115 -11.425 -10.490 -14.542 1.00 0.00 C ATOM 452 O4' DT B 115 -10.142 -10.149 -15.119 1.00 0.00 O ATOM 453 C3' DT B 115 -12.081 -11.544 -15.444 1.00 0.00 C ATOM 454 O3' DT B 115 -13.361 -11.085 -15.885 1.00 0.00 O ATOM 455 C2' DT B 115 -11.162 -11.685 -16.640 1.00 0.00 C ATOM 456 C1' DT B 115 -10.063 -10.641 -16.473 1.00 0.00 C ATOM 457 N1 DT B 115 -8.718 -11.213 -16.765 1.00 0.00 N ATOM 458 C2 DT B 115 -7.971 -10.647 -17.787 1.00 0.00 C ATOM 459 O2 DT B 115 -8.390 -9.704 -18.456 1.00 0.00 O ATOM 460 N3 DT B 115 -6.729 -11.206 -18.014 1.00 0.00 N ATOM 461 C4 DT B 115 -6.172 -12.265 -17.327 1.00 0.00 C ATOM 462 O4 DT B 115 -5.050 -12.678 -17.616 1.00 0.00 O ATOM 463 C5 DT B 115 -7.017 -12.797 -16.282 1.00 0.00 C ATOM 464 C7 DT B 115 -6.520 -13.994 -15.463 1.00 0.00 C ATOM 465 C6 DT B 115 -8.238 -12.262 -16.038 1.00 0.00 C ATOM 0 H5' DT B 115 -10.690 -10.225 -12.535 1.00 0.00 H new ATOM 0 H5'' DT B 115 -12.230 -11.057 -12.627 1.00 0.00 H new ATOM 0 H4' DT B 115 -12.077 -9.618 -14.492 1.00 0.00 H new ATOM 0 H3' DT B 115 -12.224 -12.488 -14.918 1.00 0.00 H new ATOM 0 H2' DT B 115 -10.739 -12.688 -16.687 1.00 0.00 H new ATOM 0 H2'' DT B 115 -11.709 -11.526 -17.569 1.00 0.00 H new ATOM 0 H1' DT B 115 -10.205 -9.826 -17.182 1.00 0.00 H new ATOM 0 H3 DT B 115 -6.169 -10.796 -18.762 1.00 0.00 H new ATOM 0 H71 DT B 115 -5.864 -14.609 -16.079 1.00 0.00 H new ATOM 0 H72 DT B 115 -5.970 -13.636 -14.592 1.00 0.00 H new ATOM 0 H73 DT B 115 -7.372 -14.589 -15.134 1.00 0.00 H new ATOM 0 H6 DT B 115 -8.846 -12.677 -15.248 1.00 0.00 H new ATOM 478 P DT B 116 -14.324 -12.037 -16.754 1.00 0.00 P ATOM 479 OP1 DT B 116 -15.719 -11.581 -16.564 1.00 0.00 O ATOM 480 OP2 DT B 116 -13.962 -13.444 -16.473 1.00 0.00 O ATOM 481 O5' DT B 116 -13.885 -11.702 -18.266 1.00 0.00 O ATOM 482 C5' DT B 116 -14.100 -10.409 -18.833 1.00 0.00 C ATOM 483 C4' DT B 116 -13.447 -10.306 -20.213 1.00 0.00 C ATOM 484 O4' DT B 116 -12.015 -10.502 -20.106 1.00 0.00 O ATOM 485 C3' DT B 116 -13.997 -11.359 -21.186 1.00 0.00 C ATOM 486 O3' DT B 116 -14.719 -10.733 -22.249 1.00 0.00 O ATOM 487 C2' DT B 116 -12.786 -12.089 -21.729 1.00 0.00 C ATOM 488 C1' DT B 116 -11.556 -11.422 -21.119 1.00 0.00 C ATOM 489 N1 DT B 116 -10.631 -12.440 -20.551 1.00 0.00 N ATOM 490 C2 DT B 116 -9.353 -12.541 -21.085 1.00 0.00 C ATOM 491 O2 DT B 116 -8.970 -11.813 -21.999 1.00 0.00 O ATOM 492 N3 DT B 116 -8.534 -13.504 -20.528 1.00 0.00 N ATOM 493 C4 DT B 116 -8.871 -14.364 -19.498 1.00 0.00 C ATOM 494 O4 DT B 116 -8.064 -15.195 -19.089 1.00 0.00 O ATOM 495 C5 DT B 116 -10.217 -14.187 -18.998 1.00 0.00 C ATOM 496 C7 DT B 116 -10.702 -15.067 -17.841 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ATOM 0 H22 DG C 120 -5.566 -6.166 -14.175 1.00 0.00 H new ATOM 639 P DT C 121 -11.390 0.559 -18.002 1.00 0.00 P ATOM 640 OP1 DT C 121 -12.863 0.701 -17.979 1.00 0.00 O ATOM 641 OP2 DT C 121 -10.535 1.712 -18.365 1.00 0.00 O ATOM 642 O5' DT C 121 -10.909 -0.002 -16.574 1.00 0.00 O ATOM 643 C5' DT C 121 -11.483 -1.198 -16.049 1.00 0.00 C ATOM 644 C4' DT C 121 -10.761 -1.673 -14.783 1.00 0.00 C ATOM 645 O4' DT C 121 -9.432 -2.175 -15.089 1.00 0.00 O ATOM 646 C3' DT C 121 -10.603 -0.539 -13.760 1.00 0.00 C ATOM 647 O3' DT C 121 -11.387 -0.810 -12.599 1.00 0.00 O ATOM 648 C2' DT C 121 -9.129 -0.515 -13.408 1.00 0.00 C ATOM 649 C1' DT C 121 -8.515 -1.747 -14.058 1.00 0.00 C ATOM 650 N1 DT C 121 -7.143 -1.464 -14.593 1.00 0.00 N ATOM 651 C2 DT C 121 -6.077 -2.182 -14.063 1.00 0.00 C ATOM 652 O2 DT C 121 -6.232 -3.028 -13.185 1.00 0.00 O ATOM 653 N3 DT C 121 -4.826 -1.886 -14.576 1.00 0.00 N ATOM 654 C4 DT C 121 -4.548 -0.952 -15.558 1.00 0.00 C ATOM 655 O4 DT C 121 -3.397 -0.765 -15.939 1.00 0.00 O ATOM 656 C5 DT C 121 -5.710 -0.256 -16.051 1.00 0.00 C ATOM 657 C7 DT C 121 -5.545 0.821 -17.119 1.00 0.00 C ATOM 658 C6 DT C 121 -6.938 -0.525 -15.572 1.00 0.00 C ATOM 0 H5' DT C 121 -11.443 -1.982 -16.805 1.00 0.00 H new ATOM 0 H5'' DT C 121 -12.536 -1.027 -15.824 1.00 0.00 H new ATOM 0 H4' DT C 121 -11.379 -2.468 -14.365 1.00 0.00 H new ATOM 0 H3' DT C 121 -10.939 0.418 -14.158 1.00 0.00 H new ATOM 0 H2' DT C 121 -8.656 0.395 -13.776 1.00 0.00 H new ATOM 0 H2'' DT C 121 -8.987 -0.534 -12.327 1.00 0.00 H new ATOM 0 H1' DT C 121 -8.375 -2.544 -13.327 1.00 0.00 H new ATOM 0 H3 DT C 121 -4.035 -2.405 -14.194 1.00 0.00 H new ATOM 0 H71 DT C 121 -6.442 0.861 -17.737 1.00 0.00 H new ATOM 0 H72 DT C 121 -5.392 1.788 -16.640 1.00 0.00 H new ATOM 0 H73 DT C 121 -4.684 0.585 -17.744 1.00 0.00 H new ATOM 0 H6 DT C 121 -7.786 0.013 -15.969 1.00 0.00 H new ATOM 671 P DT C 122 -11.466 0.250 -11.392 1.00 0.00 P ATOM 672 OP1 DT C 122 -12.730 0.024 -10.656 1.00 0.00 O ATOM 673 OP2 DT C 122 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-4.481 -0.857 -5.506 1.00 0.00 O ATOM 710 C3' DT C 123 -4.935 -0.200 -3.240 1.00 0.00 C ATOM 711 O3' DT C 123 -4.167 -0.816 -2.206 1.00 0.00 O ATOM 712 C2' DT C 123 -4.165 0.892 -3.918 1.00 0.00 C ATOM 713 C1' DT C 123 -3.657 0.296 -5.216 1.00 0.00 C ATOM 714 N1 DT C 123 -3.686 1.287 -6.331 1.00 0.00 N ATOM 715 C2 DT C 123 -2.485 1.590 -6.965 1.00 0.00 C ATOM 716 O2 DT C 123 -1.427 1.051 -6.648 1.00 0.00 O ATOM 717 N3 DT C 123 -2.549 2.525 -7.981 1.00 0.00 N ATOM 718 C4 DT C 123 -3.688 3.174 -8.417 1.00 0.00 C ATOM 719 O4 DT C 123 -3.630 3.994 -9.329 1.00 0.00 O ATOM 720 C5 DT C 123 -4.891 2.801 -7.710 1.00 0.00 C ATOM 721 C7 DT C 123 -6.214 3.458 -8.103 1.00 0.00 C ATOM 722 C6 DT C 123 -4.859 1.888 -6.711 1.00 0.00 C ATOM 0 H5' DT C 123 -6.833 -2.108 -5.447 1.00 0.00 H new ATOM 0 H5'' DT C 123 -7.221 -1.797 -3.767 1.00 0.00 H new ATOM 0 H4' DT C 123 -4.898 -2.230 -3.955 1.00 0.00 H new ATOM 0 H3' DT C 123 -5.841 0.206 -2.790 1.00 0.00 H new ATOM 0 H2' DT C 123 -4.799 1.758 -4.107 1.00 0.00 H new ATOM 0 H2'' DT C 123 -3.338 1.233 -3.294 1.00 0.00 H new ATOM 0 H1' DT C 123 -2.613 0.002 -5.113 1.00 0.00 H new ATOM 0 H3 DT C 123 -1.675 2.757 -8.452 1.00 0.00 H new ATOM 0 H71 DT C 123 -6.023 4.463 -8.480 1.00 0.00 H new ATOM 0 H72 DT C 123 -6.698 2.865 -8.879 1.00 0.00 H new ATOM 0 H73 DT C 123 -6.865 3.515 -7.231 1.00 0.00 H new ATOM 0 H6 DT C 123 -5.776 1.628 -6.203 1.00 0.00 H new ATOM 735 P DA C 124 -3.602 -0.024 -0.924 1.00 0.00 P ATOM 736 OP1 DA C 124 -3.688 -0.915 0.253 1.00 0.00 O ATOM 737 OP2 DA C 124 -4.234 1.314 -0.888 1.00 0.00 O ATOM 738 O5' DA C 124 -2.043 0.167 -1.306 1.00 0.00 O ATOM 739 C5' DA C 124 -1.256 -1.012 -1.525 1.00 0.00 C ATOM 740 C4' DA C 124 0.217 -0.730 -1.866 1.00 0.00 C ATOM 741 O4' DA C 124 0.314 0.043 -3.094 1.00 0.00 O ATOM 742 C3' DA C 124 0.900 0.082 -0.764 1.00 0.00 C ATOM 743 O3' DA C 124 2.209 -0.430 -0.492 1.00 0.00 O ATOM 744 C2' DA C 124 0.991 1.483 -1.304 1.00 0.00 C ATOM 745 C1' DA C 124 0.840 1.365 -2.815 1.00 0.00 C ATOM 746 N9 DA C 124 -0.036 2.417 -3.353 1.00 0.00 N ATOM 747 C8 DA C 124 -1.280 2.750 -2.953 1.00 0.00 C ATOM 748 N7 DA C 124 -1.839 3.719 -3.607 1.00 0.00 N ATOM 749 C5 DA C 124 -0.866 4.065 -4.539 1.00 0.00 C ATOM 750 C6 DA C 124 -0.828 5.033 -5.543 1.00 0.00 C ATOM 751 N6 DA C 124 -1.830 5.881 -5.767 1.00 0.00 N ATOM 752 N1 DA C 124 0.290 5.111 -6.287 1.00 0.00 N ATOM 753 C2 DA C 124 1.311 4.284 -6.053 1.00 0.00 C ATOM 754 N3 DA C 124 1.376 3.330 -5.124 1.00 0.00 N ATOM 755 C4 DA C 124 0.239 3.277 -4.396 1.00 0.00 C ATOM 0 H5' DA C 124 -1.702 -1.588 -2.336 1.00 0.00 H new ATOM 0 H5'' DA C 124 -1.298 -1.635 -0.632 1.00 0.00 H new ATOM 0 H4' DA C 124 0.707 -1.698 -1.974 1.00 0.00 H new ATOM 0 H3' DA C 124 0.344 0.037 0.172 1.00 0.00 H new ATOM 0 H2' DA C 124 0.209 2.114 -0.883 1.00 0.00 H new ATOM 0 H2'' DA C 124 1.945 1.940 -1.042 1.00 0.00 H new ATOM 0 H1' DA C 124 1.806 1.499 -3.303 1.00 0.00 H new ATOM 0 H8 DA C 124 -1.778 2.242 -2.140 1.00 0.00 H new ATOM 0 H61 DA C 124 -1.756 6.572 -6.513 1.00 0.00 H new ATOM 0 H62 DA C 124 -2.671 5.839 -5.192 1.00 0.00 H new ATOM 0 H2 DA C 124 2.179 4.400 -6.685 1.00 0.00 H new ATOM 767 P DT C 125 3.139 0.254 0.634 1.00 0.00 P ATOM 768 OP1 DT C 125 4.088 -0.765 1.132 1.00 0.00 O ATOM 769 OP2 DT C 125 2.260 0.972 1.583 1.00 0.00 O ATOM 770 O5' DT C 125 3.964 1.353 -0.218 1.00 0.00 O ATOM 771 C5' DT C 125 4.902 0.905 -1.202 1.00 0.00 C ATOM 772 C4' DT C 125 5.614 2.048 -1.944 1.00 0.00 C ATOM 773 O4' DT C 125 4.694 2.737 -2.836 1.00 0.00 O ATOM 774 C3' DT C 125 6.213 3.105 -1.006 1.00 0.00 C ATOM 775 O3' DT C 125 7.611 3.266 -1.291 1.00 0.00 O ATOM 776 C2' DT C 125 5.474 4.379 -1.306 1.00 0.00 C ATOM 777 C1' DT C 125 4.844 4.166 -2.673 1.00 0.00 C ATOM 778 N1 DT C 125 3.545 4.889 -2.852 1.00 0.00 N ATOM 779 C2 DT C 125 3.404 5.703 -3.973 1.00 0.00 C ATOM 780 O2 DT C 125 4.319 5.869 -4.776 1.00 0.00 O ATOM 781 N3 DT C 125 2.176 6.318 -4.133 1.00 0.00 N ATOM 782 C4 DT C 125 1.089 6.194 -3.287 1.00 0.00 C ATOM 783 O4 DT C 125 0.012 6.710 -3.563 1.00 0.00 O ATOM 784 C5 DT C 125 1.326 5.351 -2.149 1.00 0.00 C ATOM 785 C7 DT C 125 0.222 5.202 -1.111 1.00 0.00 C ATOM 786 C6 DT C 125 2.515 4.732 -1.968 1.00 0.00 C ATOM 0 H5' DT C 125 4.382 0.280 -1.929 1.00 0.00 H new ATOM 0 H5'' DT C 125 5.650 0.276 -0.718 1.00 0.00 H new ATOM 0 H4' DT C 125 6.423 1.568 -2.495 1.00 0.00 H new ATOM 0 H3' DT C 125 6.118 2.823 0.043 1.00 0.00 H new ATOM 0 H2' DT C 125 4.715 4.580 -0.550 1.00 0.00 H new ATOM 0 H2'' DT C 125 6.151 5.234 -1.314 1.00 0.00 H new ATOM 0 H1' DT C 125 5.488 4.588 -3.444 1.00 0.00 H new ATOM 0 H3 DT C 125 2.061 6.918 -4.950 1.00 0.00 H new ATOM 0 H71 DT C 125 0.288 4.217 -0.649 1.00 0.00 H new ATOM 0 H72 DT C 125 0.336 5.970 -0.346 1.00 0.00 H new ATOM 0 H73 DT C 125 -0.749 5.312 -1.594 1.00 0.00 H new ATOM 0 H6 DT C 125 2.654 4.099 -1.104 1.00 0.00 H new ATOM 799 P DC C 126 8.529 4.310 -0.473 1.00 0.00 P ATOM 800 OP1 DC C 126 9.883 3.731 -0.345 1.00 0.00 O ATOM 801 OP2 DC C 126 7.787 4.724 0.741 1.00 0.00 O ATOM 802 O5' DC C 126 8.616 5.587 -1.471 1.00 0.00 O ATOM 803 C5' DC C 126 9.219 5.428 -2.767 1.00 0.00 C ATOM 804 C4' DC C 126 9.236 6.720 -3.612 1.00 0.00 C ATOM 805 O4' DC C 126 7.907 7.056 -4.071 1.00 0.00 O ATOM 806 C3' DC C 126 9.798 7.916 -2.829 1.00 0.00 C ATOM 807 O3' DC C 126 10.995 8.399 -3.439 1.00 0.00 O ATOM 808 C2' DC C 126 8.725 8.985 -2.897 1.00 0.00 C ATOM 809 C1' DC C 126 7.575 8.420 -3.733 1.00 0.00 C ATOM 810 N1 DC C 126 6.312 8.447 -2.960 1.00 0.00 N ATOM 811 C2 DC C 126 5.226 9.156 -3.467 1.00 0.00 C ATOM 812 O2 DC C 126 5.332 9.797 -4.511 1.00 0.00 O ATOM 813 N3 DC C 126 4.062 9.127 -2.767 1.00 0.00 N ATOM 814 C4 DC C 126 3.965 8.439 -1.623 1.00 0.00 C ATOM 815 N4 DC C 126 2.807 8.417 -0.976 1.00 0.00 N ATOM 816 C5 DC C 126 5.080 7.719 -1.099 1.00 0.00 C ATOM 817 C6 DC C 126 6.224 7.753 -1.797 1.00 0.00 C ATOM 0 H5' DC C 126 8.681 4.654 -3.315 1.00 0.00 H new ATOM 0 H5'' DC C 126 10.242 5.075 -2.640 1.00 0.00 H new ATOM 0 H4' DC C 126 9.886 6.519 -4.464 1.00 0.00 H new ATOM 0 H3' DC C 126 10.044 7.640 -1.804 1.00 0.00 H new ATOM 0 H2' DC C 126 8.380 9.248 -1.897 1.00 0.00 H new ATOM 0 H2'' DC C 126 9.118 9.896 -3.349 1.00 0.00 H new ATOM 0 H1' DC C 126 7.436 9.020 -4.632 1.00 0.00 H new ATOM 0 H41 DC C 126 2.720 7.896 -0.103 1.00 0.00 H new ATOM 0 H42 DC C 126 2.003 8.921 -1.351 1.00 0.00 H new ATOM 0 H5 DC C 126 5.005 7.167 -0.174 1.00 0.00 H new ATOM 0 H6 DC C 126 7.088 7.220 -1.428 1.00 0.00 H new ATOM 829 P DT C 127 11.930 9.471 -2.679 1.00 0.00 P ATOM 830 OP1 DT C 127 13.287 9.389 -3.265 1.00 0.00 O ATOM 831 OP2 DT C 127 11.745 9.290 -1.223 1.00 0.00 O ATOM 832 O5' DT C 127 11.291 10.887 -3.095 1.00 0.00 O ATOM 833 C5' DT C 127 11.225 11.268 -4.466 1.00 0.00 C ATOM 834 C4' DT C 127 10.410 12.547 -4.667 1.00 0.00 C ATOM 835 O4' DT C 127 9.007 12.287 -4.424 1.00 0.00 O ATOM 836 C3' DT C 127 10.850 13.678 -3.724 1.00 0.00 C ATOM 837 O3' DT C 127 11.376 14.769 -4.491 1.00 0.00 O ATOM 838 C2' DT C 127 9.595 14.104 -2.987 1.00 0.00 C ATOM 839 C1' DT C 127 8.437 13.346 -3.631 1.00 0.00 C ATOM 840 N1 DT C 127 7.490 12.804 -2.607 1.00 0.00 N ATOM 841 C2 DT C 127 6.166 13.223 -2.665 1.00 0.00 C ATOM 842 O2 DT C 127 5.770 14.015 -3.518 1.00 0.00 O ATOM 843 N3 DT C 127 5.314 12.698 -1.715 1.00 0.00 N ATOM 844 C4 DT C 127 5.653 11.800 -0.721 1.00 0.00 C ATOM 845 O4 DT C 127 4.805 11.392 0.068 1.00 0.00 O ATOM 846 C5 DT C 127 7.046 11.413 -0.723 1.00 0.00 C ATOM 847 C7 DT C 127 7.534 10.420 0.339 1.00 0.00 C ATOM 848 C6 DT C 127 7.909 11.913 -1.645 1.00 0.00 C ATOM 0 H5' DT C 127 10.780 10.460 -5.046 1.00 0.00 H new ATOM 0 H5'' DT C 127 12.234 11.417 -4.850 1.00 0.00 H new ATOM 0 H4' DT C 127 10.579 12.862 -5.696 1.00 0.00 H new ATOM 0 H3' DT C 127 11.630 13.359 -3.032 1.00 0.00 H new ATOM 0 H2' DT C 127 9.670 13.869 -1.925 1.00 0.00 H new ATOM 0 H2'' DT C 127 9.445 15.181 -3.066 1.00 0.00 H new ATOM 0 H1' DT C 127 7.851 14.021 -4.255 1.00 0.00 H new ATOM 0 H3 DT C 127 4.341 13.002 -1.750 1.00 0.00 H new ATOM 0 H71 DT C 127 6.937 10.532 1.244 1.00 0.00 H new ATOM 0 H72 DT C 127 7.432 9.403 -0.040 1.00 0.00 H new ATOM 0 H73 DT C 127 8.581 10.618 0.569 1.00 0.00 H new ATOM 0 H6 DT C 127 8.944 11.606 -1.623 1.00 0.00 H new ATOM 861 P DG C 128 11.929 16.111 -3.791 1.00 0.00 P ATOM 862 OP1 DG C 128 12.893 16.748 -4.716 1.00 0.00 O ATOM 863 OP2 DG C 128 12.342 15.780 -2.409 1.00 0.00 O ATOM 864 O5' DG C 128 10.618 17.041 -3.716 1.00 0.00 O ATOM 865 C5' DG C 128 9.986 17.488 -4.918 1.00 0.00 C ATOM 866 C4' DG C 128 8.761 18.356 -4.624 1.00 0.00 C ATOM 867 O4' DG C 128 7.781 17.592 -3.889 1.00 0.00 O ATOM 868 C3' DG C 128 9.121 19.601 -3.800 1.00 0.00 C ATOM 869 O3' DG C 128 8.776 20.785 -4.526 1.00 0.00 O ATOM 870 C2' DG C 128 8.300 19.497 -2.528 1.00 0.00 C ATOM 871 C1' DG C 128 7.393 18.278 -2.684 1.00 0.00 C ATOM 872 N9 DG C 128 7.505 17.386 -1.520 1.00 0.00 N ATOM 873 C8 DG C 128 8.612 16.791 -1.012 1.00 0.00 C ATOM 874 N7 DG C 128 8.419 16.068 0.051 1.00 0.00 N ATOM 875 C5 DG C 128 7.048 16.193 0.272 1.00 0.00 C ATOM 876 C6 DG C 128 6.229 15.630 1.290 1.00 0.00 C ATOM 877 O6 DG C 128 6.563 14.902 2.221 1.00 0.00 O ATOM 878 N1 DG C 128 4.902 16.010 1.143 1.00 0.00 N ATOM 879 C2 DG C 128 4.418 16.830 0.145 1.00 0.00 C ATOM 880 N2 DG C 128 3.109 17.086 0.173 1.00 0.00 N ATOM 881 N3 DG C 128 5.183 17.361 -0.811 1.00 0.00 N ATOM 882 C4 DG C 128 6.481 17.002 -0.687 1.00 0.00 C ATOM 0 H5' DG C 128 9.687 16.626 -5.514 1.00 0.00 H new ATOM 0 H5'' DG C 128 10.700 18.056 -5.515 1.00 0.00 H new ATOM 0 H4' DG C 128 8.360 18.678 -5.585 1.00 0.00 H new ATOM 0 H3' DG C 128 10.188 19.655 -3.584 1.00 0.00 H new ATOM 0 H2' DG C 128 8.948 19.388 -1.658 1.00 0.00 H new ATOM 0 H2'' DG C 128 7.710 20.400 -2.374 1.00 0.00 H new ATOM 0 H1' DG C 128 6.352 18.594 -2.747 1.00 0.00 H new ATOM 0 H8 DG C 128 9.588 16.910 -1.460 1.00 0.00 H new ATOM 0 H1 DG C 128 4.233 15.655 1.826 1.00 0.00 H new ATOM 0 H21 DG C 128 2.691 17.686 -0.538 1.00 0.00 H new ATOM 0 H22 DG C 128 2.526 16.682 0.906 1.00 0.00 H new ATOM 894 P DC C 129 9.248 22.243 -4.026 1.00 0.00 P ATOM 895 OP1 DC C 129 9.239 23.153 -5.191 1.00 0.00 O ATOM 896 OP2 DC C 129 10.490 22.075 -3.238 1.00 0.00 O ATOM 897 O5' DC C 129 8.077 22.706 -3.021 1.00 0.00 O ATOM 898 C5' DC C 129 6.727 22.839 -3.472 1.00 0.00 C ATOM 899 C4' DC C 129 5.799 23.291 -2.338 1.00 0.00 C ATOM 900 O4' DC C 129 5.625 22.233 -1.364 1.00 0.00 O ATOM 901 C3' DC C 129 6.362 24.516 -1.608 1.00 0.00 C ATOM 902 O3' DC C 129 5.431 25.599 -1.669 1.00 0.00 O ATOM 903 C2' DC C 129 6.554 24.092 -0.173 1.00 0.00 C ATOM 904 C1' DC C 129 5.941 22.706 -0.033 1.00 0.00 C ATOM 905 N1 DC C 129 6.867 21.760 0.656 1.00 0.00 N ATOM 906 C2 DC C 129 6.434 21.165 1.841 1.00 0.00 C ATOM 907 O2 DC C 129 5.322 21.433 2.290 1.00 0.00 O ATOM 908 N3 DC C 129 7.262 20.289 2.469 1.00 0.00 N ATOM 909 C4 DC C 129 8.467 20.000 1.967 1.00 0.00 C ATOM 910 N4 DC C 129 9.253 19.137 2.613 1.00 0.00 N ATOM 911 C5 DC C 129 8.923 20.606 0.752 1.00 0.00 C ATOM 912 C6 DC C 129 8.096 21.475 0.133 1.00 0.00 C ATOM 0 H5' DC C 129 6.379 21.886 -3.870 1.00 0.00 H new ATOM 0 H5'' DC C 129 6.684 23.560 -4.288 1.00 0.00 H new ATOM 0 H4' DC C 129 4.843 23.545 -2.797 1.00 0.00 H new ATOM 0 H3' DC C 129 7.295 24.853 -2.060 1.00 0.00 H new ATOM 0 H2' DC C 129 7.613 24.073 0.085 1.00 0.00 H new ATOM 0 H2'' DC C 129 6.073 24.797 0.505 1.00 0.00 H new ATOM 0 H1' DC C 129 5.042 22.762 0.581 1.00 0.00 H new ATOM 0 H41 DC C 129 10.174 18.909 2.240 1.00 0.00 H new ATOM 0 H42 DC C 129 8.932 18.706 3.480 1.00 0.00 H new ATOM 0 H5 DC C 129 9.896 20.375 0.345 1.00 0.00 H new ATOM 0 H6 DC C 129 8.409 21.950 -0.785 1.00 0.00 H new ATOM 924 P DA C 130 5.792 27.027 -1.021 1.00 0.00 P ATOM 925 OP1 DA C 130 4.979 28.055 -1.709 1.00 0.00 O ATOM 926 OP2 DA C 130 7.265 27.157 -0.979 1.00 0.00 O ATOM 927 O5' DA C 130 5.248 26.889 0.491 1.00 0.00 O ATOM 928 C5' DA C 130 3.858 26.670 0.737 1.00 0.00 C ATOM 929 C4' DA C 130 3.541 26.567 2.235 1.00 0.00 C ATOM 930 O4' DA C 130 4.066 25.331 2.783 1.00 0.00 O ATOM 931 C3' DA C 130 4.141 27.731 3.035 1.00 0.00 C ATOM 932 O3' DA C 130 3.127 28.366 3.817 1.00 0.00 O ATOM 933 C2' DA C 130 5.173 27.107 3.940 1.00 0.00 C ATOM 934 C1' DA C 130 4.912 25.610 3.919 1.00 0.00 C ATOM 935 N9 DA C 130 6.164 24.837 3.860 1.00 0.00 N ATOM 936 C8 DA C 130 7.196 24.954 2.993 1.00 0.00 C ATOM 937 N7 DA C 130 8.192 24.145 3.201 1.00 0.00 N ATOM 938 C5 DA C 130 7.773 23.420 4.313 1.00 0.00 C ATOM 939 C6 DA C 130 8.364 22.393 5.053 1.00 0.00 C ATOM 940 N6 DA C 130 9.577 21.912 4.788 1.00 0.00 N ATOM 941 N1 DA C 130 7.669 21.899 6.093 1.00 0.00 N ATOM 942 C2 DA C 130 6.465 22.389 6.388 1.00 0.00 C ATOM 943 N3 DA C 130 5.819 23.360 5.754 1.00 0.00 N ATOM 944 C4 DA C 130 6.539 23.832 4.718 1.00 0.00 C ATOM 0 H5' DA C 130 3.543 25.754 0.237 1.00 0.00 H new ATOM 0 H5'' DA C 130 3.281 27.486 0.301 1.00 0.00 H new ATOM 0 H4' DA C 130 2.455 26.597 2.322 1.00 0.00 H new ATOM 0 H3' DA C 130 4.574 28.489 2.383 1.00 0.00 H new ATOM 0 H2' DA C 130 6.181 27.330 3.592 1.00 0.00 H new ATOM 0 H2'' DA C 130 5.091 27.502 4.953 1.00 0.00 H new ATOM 0 H1' DA C 130 4.417 25.307 4.842 1.00 0.00 H new ATOM 0 H8 DA C 130 7.193 25.670 2.184 1.00 0.00 H new ATOM 0 H61 DA C 130 9.964 21.161 5.359 1.00 0.00 H new ATOM 0 H62 DA C 130 10.119 22.295 4.014 1.00 0.00 H new ATOM 0 H2 DA C 130 5.960 21.948 7.235 1.00 0.00 H new ATOM 956 P DA C 131 3.470 29.625 4.761 1.00 0.00 P ATOM 957 OP1 DA C 131 2.234 30.420 4.935 1.00 0.00 O ATOM 958 OP2 DA C 131 4.696 30.274 4.243 1.00 0.00 O ATOM 959 O5' DA C 131 3.824 28.936 6.176 1.00 0.00 O ATOM 960 C5' DA C 131 2.824 28.178 6.867 1.00 0.00 C ATOM 961 C4' DA C 131 3.332 27.595 8.193 1.00 0.00 C ATOM 962 O4' DA C 131 4.276 26.521 7.982 1.00 0.00 O ATOM 963 C3' DA C 131 4.012 28.662 9.053 1.00 0.00 C ATOM 964 O3' DA C 131 3.301 28.840 10.277 1.00 0.00 O ATOM 965 C2' DA C 131 5.393 28.126 9.353 1.00 0.00 C ATOM 966 C1' DA C 131 5.436 26.701 8.825 1.00 0.00 C ATOM 967 N9 DA C 131 6.670 26.432 8.073 1.00 0.00 N ATOM 968 C8 DA C 131 7.122 27.043 6.960 1.00 0.00 C ATOM 969 N7 DA C 131 8.232 26.566 6.472 1.00 0.00 N ATOM 970 C5 DA C 131 8.543 25.535 7.359 1.00 0.00 C ATOM 971 C6 DA C 131 9.600 24.616 7.425 1.00 0.00 C ATOM 972 N6 DA C 131 10.597 24.583 6.540 1.00 0.00 N ATOM 973 N1 DA C 131 9.593 23.732 8.441 1.00 0.00 N ATOM 974 C2 DA C 131 8.605 23.752 9.339 1.00 0.00 C ATOM 975 N3 DA C 131 7.563 24.576 9.368 1.00 0.00 N ATOM 976 C4 DA C 131 7.595 25.448 8.340 1.00 0.00 C ATOM 0 H5' DA C 131 2.482 27.366 6.225 1.00 0.00 H new ATOM 0 H5'' DA C 131 1.961 28.815 7.062 1.00 0.00 H new ATOM 0 H4' DA C 131 2.451 27.211 8.707 1.00 0.00 H new ATOM 0 H3' DA C 131 4.042 29.624 8.540 1.00 0.00 H new ATOM 0 H2' DA C 131 6.158 28.738 8.875 1.00 0.00 H new ATOM 0 H2'' DA C 131 5.591 28.147 10.425 1.00 0.00 H new ATOM 0 H1' DA C 131 5.426 25.999 9.659 1.00 0.00 H new ATOM 0 H8 DA C 131 6.600 27.871 6.504 1.00 0.00 H new ATOM 0 H61 DA C 131 11.341 23.892 6.636 1.00 0.00 H new ATOM 0 H62 DA C 131 10.615 25.248 5.767 1.00 0.00 H new ATOM 0 H2 DA C 131 8.659 23.017 10.129 1.00 0.00 H new ATOM 988 P DC C 132 3.769 29.953 11.333 1.00 0.00 P ATOM 989 OP1 DC C 132 2.597 30.319 12.162 1.00 0.00 O ATOM 990 OP2 DC C 132 4.513 31.004 10.605 1.00 0.00 O ATOM 991 O5' DC C 132 4.806 29.140 12.259 1.00 0.00 O ATOM 992 C5' DC C 132 4.391 27.956 12.940 1.00 0.00 C ATOM 993 C4' DC C 132 5.559 27.252 13.642 1.00 0.00 C ATOM 994 O4' DC C 132 6.458 26.641 12.689 1.00 0.00 O ATOM 995 C3' DC C 132 6.377 28.220 14.505 1.00 0.00 C ATOM 996 O3' DC C 132 6.162 27.968 15.895 1.00 0.00 O ATOM 997 C2' DC C 132 7.826 27.945 14.147 1.00 0.00 C ATOM 998 C1' DC C 132 7.824 26.828 13.117 1.00 0.00 C ATOM 999 N1 DC C 132 8.713 27.159 11.970 1.00 0.00 N ATOM 1000 C2 DC C 132 9.865 26.402 11.783 1.00 0.00 C ATOM 1001 O2 DC C 132 10.108 25.460 12.534 1.00 0.00 O ATOM 1002 N3 DC C 132 10.695 26.728 10.755 1.00 0.00 N ATOM 1003 C4 DC C 132 10.406 27.748 9.936 1.00 0.00 C ATOM 1004 N4 DC C 132 11.236 28.037 8.932 1.00 0.00 N ATOM 1005 C5 DC C 132 9.220 28.525 10.123 1.00 0.00 C ATOM 1006 C6 DC C 132 8.410 28.195 11.149 1.00 0.00 C ATOM 0 H5' DC C 132 3.932 27.271 12.227 1.00 0.00 H new ATOM 0 H5'' DC C 132 3.628 28.210 13.675 1.00 0.00 H new ATOM 0 H4' DC C 132 5.108 26.488 14.276 1.00 0.00 H new ATOM 0 H3' DC C 132 6.093 29.256 14.323 1.00 0.00 H new ATOM 0 H2' DC C 132 8.300 28.840 13.745 1.00 0.00 H new ATOM 0 H2'' DC C 132 8.393 27.654 15.031 1.00 0.00 H new ATOM 0 HO3' DC C 132 6.694 28.595 16.427 1.00 0.00 H new ATOM 0 H1' DC C 132 8.211 25.906 13.550 1.00 0.00 H new ATOM 0 H41 DC C 132 11.025 28.812 8.303 1.00 0.00 H new ATOM 0 H42 DC C 132 12.081 27.483 8.794 1.00 0.00 H new ATOM 0 H5 DC C 132 8.981 29.348 9.465 1.00 0.00 H new ATOM 0 H6 DC C 132 7.508 28.763 11.319 1.00 0.00 H new TER 1019 DC C 132 ATOM 1020 N LYS A 1 -4.915 13.968 13.787 1.00 0.00 N ATOM 1021 CA LYS A 1 -5.988 13.876 12.758 1.00 0.00 C ATOM 1022 C LYS A 1 -6.268 12.404 12.447 1.00 0.00 C ATOM 1023 O LYS A 1 -7.342 12.053 12.012 1.00 0.00 O ATOM 1024 CB LYS A 1 -5.542 14.596 11.480 1.00 0.00 C ATOM 1025 CG LYS A 1 -5.505 16.111 11.732 1.00 0.00 C ATOM 1026 CD LYS A 1 -4.871 16.841 10.533 1.00 0.00 C ATOM 1027 CE LYS A 1 -5.906 17.034 9.419 1.00 0.00 C ATOM 1028 NZ LYS A 1 -5.270 17.730 8.264 1.00 0.00 N ATOM 0 H1 LYS A 1 -4.951 14.902 14.244 1.00 0.00 H new ATOM 0 H2 LYS A 1 -5.056 13.227 14.503 1.00 0.00 H new ATOM 0 H3 LYS A 1 -3.988 13.840 13.334 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.895 14.347 13.137 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -4.557 14.243 11.176 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.228 14.369 10.664 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.516 16.483 11.899 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.935 16.322 12.637 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -4.484 17.809 10.851 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -4.024 16.268 10.156 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -6.300 16.068 9.103 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -6.750 17.617 9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.972 17.861 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -4.914 18.658 8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.479 17.157 7.906 1.00 0.00 H new ATOM 1044 N ARG A 2 -5.312 11.540 12.683 1.00 0.00 N ATOM 1045 CA ARG A 2 -5.536 10.086 12.411 1.00 0.00 C ATOM 1046 C ARG A 2 -6.308 9.469 13.578 1.00 0.00 C ATOM 1047 O ARG A 2 -6.785 8.355 13.501 1.00 0.00 O ATOM 1048 CB ARG A 2 -4.195 9.354 12.279 1.00 0.00 C ATOM 1049 CG ARG A 2 -3.472 9.764 10.979 1.00 0.00 C ATOM 1050 CD ARG A 2 -2.585 10.982 11.240 1.00 0.00 C ATOM 1051 NE ARG A 2 -1.601 10.645 12.310 1.00 0.00 N ATOM 1052 CZ ARG A 2 -0.551 11.394 12.503 1.00 0.00 C ATOM 1053 NH1 ARG A 2 -0.341 12.434 11.748 1.00 0.00 N ATOM 1054 NH2 ARG A 2 0.292 11.095 13.452 1.00 0.00 N ATOM 0 H ARG A 2 -4.390 11.777 13.050 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.098 9.988 11.482 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.565 9.583 13.138 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.362 8.277 12.283 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.867 8.935 10.612 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.202 9.994 10.203 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -2.064 11.271 10.327 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.194 11.834 11.543 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.751 9.823 12.895 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.999 12.665 11.003 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.481 13.018 11.901 1.00 0.00 H new ATOM 0 HH21 ARG A 2 0.129 10.278 14.040 1.00 0.00 H new ATOM 0 HH22 ARG A 2 1.114 11.678 13.606 1.00 0.00 H new ATOM 1068 N ALA A 3 -6.408 10.174 14.670 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.119 9.613 15.854 1.00 0.00 C ATOM 1070 C ALA A 3 -8.623 9.505 15.579 1.00 0.00 C ATOM 1071 O ALA A 3 -9.325 10.493 15.498 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.881 10.520 17.063 1.00 0.00 C ATOM 0 H ALA A 3 -6.029 11.113 14.795 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.732 8.615 16.058 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.400 10.113 17.931 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.813 10.575 17.272 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.261 11.519 16.849 1.00 0.00 H new ATOM 1078 N GLY A 4 -9.122 8.297 15.458 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.584 8.097 15.218 1.00 0.00 C ATOM 1080 C GLY A 4 -10.899 8.119 13.720 1.00 0.00 C ATOM 1081 O GLY A 4 -12.019 7.884 13.315 1.00 0.00 O ATOM 0 H GLY A 4 -8.575 7.438 15.516 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.900 7.146 15.646 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.150 8.879 15.724 1.00 0.00 H new ATOM 1085 N THR A 5 -9.939 8.425 12.896 1.00 0.00 N ATOM 1086 CA THR A 5 -10.225 8.486 11.437 1.00 0.00 C ATOM 1087 C THR A 5 -10.521 7.099 10.886 1.00 0.00 C ATOM 1088 O THR A 5 -9.649 6.260 10.779 1.00 0.00 O ATOM 1089 CB THR A 5 -9.023 9.065 10.696 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.495 10.135 11.455 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.453 9.576 9.310 1.00 0.00 C ATOM 0 H THR A 5 -8.978 8.634 13.165 1.00 0.00 H new ATOM 0 HA THR A 5 -11.097 9.123 11.289 1.00 0.00 H new ATOM 0 HB THR A 5 -8.267 8.291 10.564 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.022 10.755 10.862 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.588 9.987 8.789 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.867 8.751 8.730 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.209 10.352 9.427 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.742 6.882 10.482 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.129 5.587 9.861 1.00 0.00 C ATOM 1101 C VAL A 6 -12.651 5.929 8.477 1.00 0.00 C ATOM 1102 O VAL A 6 -13.314 6.929 8.289 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.214 4.888 10.681 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.596 4.331 11.964 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.323 5.881 11.036 1.00 0.00 C ATOM 0 H VAL A 6 -12.500 7.560 10.558 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.281 4.904 9.816 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.641 4.074 10.094 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.366 3.832 12.552 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.813 3.617 11.710 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.168 5.147 12.546 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.092 5.375 11.620 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.904 6.700 11.620 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.764 6.276 10.121 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.351 5.141 7.502 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.822 5.457 6.135 1.00 0.00 C ATOM 1117 C CYS A 7 -14.338 5.490 6.102 1.00 0.00 C ATOM 1118 O CYS A 7 -15.006 4.511 6.369 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.284 4.387 5.205 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.674 4.795 3.495 1.00 0.00 S ATOM 0 H CYS A 7 -11.799 4.288 7.588 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.465 6.438 5.820 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.205 4.297 5.328 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.716 3.420 5.463 1.00 0.00 H new ATOM 1125 N SER A 8 -14.889 6.623 5.782 1.00 0.00 N ATOM 1126 CA SER A 8 -16.362 6.737 5.743 1.00 0.00 C ATOM 1127 C SER A 8 -16.912 5.749 4.722 1.00 0.00 C ATOM 1128 O SER A 8 -17.942 5.141 4.934 1.00 0.00 O ATOM 1129 CB SER A 8 -16.760 8.159 5.333 1.00 0.00 C ATOM 1130 OG SER A 8 -16.416 9.065 6.373 1.00 0.00 O ATOM 0 H SER A 8 -14.379 7.474 5.546 1.00 0.00 H new ATOM 0 HA SER A 8 -16.769 6.518 6.730 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.252 8.438 4.410 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.831 8.206 5.135 1.00 0.00 H new ATOM 0 HG SER A 8 -15.473 9.317 6.289 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.259 5.595 3.599 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.800 4.657 2.579 1.00 0.00 C ATOM 1138 C ASN A 9 -16.562 3.186 2.953 1.00 0.00 C ATOM 1139 O ASN A 9 -17.430 2.372 2.719 1.00 0.00 O ATOM 1140 CB ASN A 9 -16.135 4.942 1.232 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.632 6.279 0.681 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -16.152 6.744 -0.334 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -17.578 6.926 1.307 1.00 0.00 N ATOM 0 H ASN A 9 -15.391 6.069 3.350 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.877 4.816 2.525 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.052 4.967 1.349 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.361 4.141 0.528 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.912 7.819 0.944 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.983 6.539 2.159 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.413 2.809 3.510 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.195 1.345 3.837 1.00 0.00 C ATOM 1152 C CYS A 10 -14.756 1.113 5.294 1.00 0.00 C ATOM 1153 O CYS A 10 -14.393 0.016 5.654 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.186 0.716 2.850 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.472 1.118 3.292 1.00 0.00 S ATOM 0 H CYS A 10 -14.641 3.433 3.745 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.159 0.850 3.725 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.314 -0.366 2.839 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.394 1.072 1.841 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.834 2.098 6.151 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.478 1.892 7.599 1.00 0.00 C ATOM 1162 C GLN A 11 -13.052 1.359 7.816 1.00 0.00 C ATOM 1163 O GLN A 11 -12.646 1.165 8.944 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.459 0.900 8.237 1.00 0.00 C ATOM 1165 CG GLN A 11 -16.881 1.459 8.193 1.00 0.00 C ATOM 1166 CD GLN A 11 -17.836 0.447 8.831 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -17.615 -0.746 8.752 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -18.894 0.871 9.466 1.00 0.00 N ATOM 0 H GLN A 11 -15.130 3.045 5.914 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.537 2.876 8.064 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.419 -0.053 7.709 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.169 0.704 9.269 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -16.929 2.409 8.726 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.176 1.657 7.162 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -19.081 1.871 9.534 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.534 0.202 9.895 1.00 0.00 H new ATOM 1177 N THR A 12 -12.277 1.116 6.798 1.00 0.00 N ATOM 1178 CA THR A 12 -10.900 0.601 7.068 1.00 0.00 C ATOM 1179 C THR A 12 -10.119 1.678 7.842 1.00 0.00 C ATOM 1180 O THR A 12 -10.458 2.843 7.777 1.00 0.00 O ATOM 1181 CB THR A 12 -10.194 0.273 5.744 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.007 -0.462 6.017 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.841 1.564 5.011 1.00 0.00 C ATOM 0 H THR A 12 -12.523 1.245 5.817 1.00 0.00 H new ATOM 0 HA THR A 12 -10.950 -0.312 7.661 1.00 0.00 H new ATOM 0 HB THR A 12 -10.858 -0.321 5.116 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.553 -0.675 5.175 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.341 1.325 4.073 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.752 2.125 4.803 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.178 2.166 5.633 1.00 0.00 H new ATOM 1191 N SER A 13 -9.083 1.310 8.574 1.00 0.00 N ATOM 1192 CA SER A 13 -8.296 2.343 9.348 1.00 0.00 C ATOM 1193 C SER A 13 -6.788 2.210 9.051 1.00 0.00 C ATOM 1194 O SER A 13 -5.975 2.869 9.668 1.00 0.00 O ATOM 1195 CB SER A 13 -8.529 2.144 10.844 1.00 0.00 C ATOM 1196 OG SER A 13 -7.850 0.968 11.265 1.00 0.00 O ATOM 0 H SER A 13 -8.750 0.351 8.670 1.00 0.00 H new ATOM 0 HA SER A 13 -8.631 3.335 9.045 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.166 3.008 11.400 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.596 2.057 11.051 1.00 0.00 H new ATOM 0 HG SER A 13 -7.993 0.834 12.225 1.00 0.00 H new ATOM 1202 N THR A 14 -6.406 1.366 8.117 1.00 0.00 N ATOM 1203 CA THR A 14 -4.948 1.196 7.782 1.00 0.00 C ATOM 1204 C THR A 14 -4.668 1.835 6.425 1.00 0.00 C ATOM 1205 O THR A 14 -4.125 1.229 5.539 1.00 0.00 O ATOM 1206 CB THR A 14 -4.601 -0.292 7.707 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.041 -0.822 6.465 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.285 -1.034 8.850 1.00 0.00 C ATOM 0 H THR A 14 -7.042 0.785 7.570 1.00 0.00 H new ATOM 0 HA THR A 14 -4.345 1.672 8.555 1.00 0.00 H new ATOM 0 HB THR A 14 -3.521 -0.416 7.790 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.414 -1.718 6.605 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.037 -2.094 8.796 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.943 -0.630 9.803 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.365 -0.909 8.770 1.00 0.00 H new ATOM 1216 N THR A 15 -5.108 3.030 6.243 1.00 0.00 N ATOM 1217 CA THR A 15 -4.942 3.713 4.922 1.00 0.00 C ATOM 1218 C THR A 15 -3.503 4.167 4.694 1.00 0.00 C ATOM 1219 O THR A 15 -2.820 4.580 5.611 1.00 0.00 O ATOM 1220 CB THR A 15 -5.824 4.954 4.922 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.139 6.014 5.580 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.095 4.642 5.689 1.00 0.00 C ATOM 0 H THR A 15 -5.585 3.584 6.955 1.00 0.00 H new ATOM 0 HA THR A 15 -5.213 3.009 4.135 1.00 0.00 H new ATOM 0 HB THR A 15 -6.059 5.246 3.899 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.763 6.495 6.162 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.739 5.521 5.699 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.617 3.815 5.207 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.843 4.365 6.713 1.00 0.00 H new ATOM 1230 N THR A 16 -3.046 4.141 3.466 1.00 0.00 N ATOM 1231 CA THR A 16 -1.668 4.629 3.197 1.00 0.00 C ATOM 1232 C THR A 16 -1.698 6.153 3.320 1.00 0.00 C ATOM 1233 O THR A 16 -0.820 6.765 3.894 1.00 0.00 O ATOM 1234 CB THR A 16 -1.220 4.270 1.777 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.982 5.025 0.845 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.404 2.774 1.489 1.00 0.00 C ATOM 0 H THR A 16 -3.563 3.807 2.652 1.00 0.00 H new ATOM 0 HA THR A 16 -0.975 4.170 3.902 1.00 0.00 H new ATOM 0 HB THR A 16 -0.159 4.504 1.684 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.212 4.461 0.077 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.076 2.556 0.473 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.811 2.192 2.194 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.456 2.510 1.595 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.735 6.762 2.790 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.881 8.250 2.874 1.00 0.00 C ATOM 1246 C LEU A 17 -4.365 8.567 3.078 1.00 0.00 C ATOM 1247 O LEU A 17 -5.218 8.051 2.380 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.361 8.928 1.586 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.827 10.341 1.899 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.578 10.259 2.816 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.485 11.069 0.574 1.00 0.00 C ATOM 0 H LEU A 17 -3.492 6.286 2.299 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.291 8.633 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.570 8.323 1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.163 8.990 0.851 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.596 10.906 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.215 11.265 3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.845 9.766 3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.204 9.688 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.108 12.068 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.724 10.505 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.382 11.148 -0.040 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.686 9.402 4.026 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.112 9.745 4.276 1.00 0.00 C ATOM 1265 C TRP A 18 -6.585 10.785 3.255 1.00 0.00 C ATOM 1266 O TRP A 18 -5.980 11.827 3.097 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.218 10.339 5.691 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.258 9.240 6.711 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.289 8.980 7.620 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.304 8.252 6.937 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.681 7.901 8.393 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.914 7.419 8.011 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.542 8.001 6.323 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.722 6.376 8.462 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.355 6.947 6.773 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.946 6.138 7.838 1.00 0.00 C ATOM 0 H TRP A 18 -4.017 9.864 4.642 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.733 8.854 4.185 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.368 10.993 5.884 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.116 10.952 5.770 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.362 9.525 7.725 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.125 7.510 9.153 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.870 8.621 5.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.402 5.758 9.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.304 6.760 6.292 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.577 5.330 8.177 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.672 10.517 2.570 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.203 11.493 1.563 1.00 0.00 C ATOM 1289 C ARG A 19 -9.483 12.125 2.112 1.00 0.00 C ATOM 1290 O ARG A 19 -9.969 11.756 3.163 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.544 10.772 0.247 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.456 9.774 -0.101 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.130 10.498 -0.264 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.183 9.581 -0.955 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.031 10.010 -1.377 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.683 11.255 -1.203 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.224 9.186 -1.976 1.00 0.00 N ATOM 0 H ARG A 19 -8.217 9.660 2.665 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.445 12.253 1.374 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.501 10.259 0.342 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.651 11.500 -0.558 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.376 9.021 0.683 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.711 9.250 -1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.264 11.412 -0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.735 10.791 0.709 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.441 8.605 -1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.317 11.901 -0.732 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.777 11.583 -1.538 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.497 8.213 -2.111 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.318 9.513 -2.311 1.00 0.00 H new ATOM 1311 N ARG A 20 -10.050 13.045 1.382 1.00 0.00 N ATOM 1312 CA ARG A 20 -11.332 13.688 1.805 1.00 0.00 C ATOM 1313 C ARG A 20 -12.276 13.647 0.598 1.00 0.00 C ATOM 1314 O ARG A 20 -11.863 13.864 -0.523 1.00 0.00 O ATOM 1315 CB ARG A 20 -11.069 15.139 2.233 1.00 0.00 C ATOM 1316 CG ARG A 20 -10.119 15.186 3.444 1.00 0.00 C ATOM 1317 CD ARG A 20 -10.829 14.697 4.710 1.00 0.00 C ATOM 1318 NE ARG A 20 -9.978 14.999 5.895 1.00 0.00 N ATOM 1319 CZ ARG A 20 -10.495 14.975 7.091 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -11.746 14.637 7.256 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -9.758 15.279 8.125 1.00 0.00 N ATOM 0 H ARG A 20 -9.676 13.385 0.496 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.774 13.165 2.653 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.635 15.695 1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.011 15.626 2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.244 14.566 3.250 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.761 16.205 3.592 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.799 15.185 4.809 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.017 13.625 4.645 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.991 15.224 5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.319 14.392 6.448 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.150 14.618 8.192 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.779 15.535 7.996 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.161 15.261 9.062 1.00 0.00 H new ATOM 1335 N SER A 21 -13.540 13.369 0.808 1.00 0.00 N ATOM 1336 CA SER A 21 -14.502 13.314 -0.344 1.00 0.00 C ATOM 1337 C SER A 21 -15.165 14.693 -0.525 1.00 0.00 C ATOM 1338 O SER A 21 -15.221 15.474 0.398 1.00 0.00 O ATOM 1339 CB SER A 21 -15.549 12.221 -0.075 1.00 0.00 C ATOM 1340 OG SER A 21 -15.111 11.005 -0.669 1.00 0.00 O ATOM 0 H SER A 21 -13.949 13.178 1.723 1.00 0.00 H new ATOM 0 HA SER A 21 -13.976 13.067 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.687 12.088 0.998 1.00 0.00 H new ATOM 0 HB3 SER A 21 -16.515 12.515 -0.487 1.00 0.00 H new ATOM 0 HG SER A 21 -15.772 10.302 -0.501 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.651 15.001 -1.711 1.00 0.00 N ATOM 1347 CA PRO A 22 -16.300 16.322 -1.963 1.00 0.00 C ATOM 1348 C PRO A 22 -17.385 16.655 -0.925 1.00 0.00 C ATOM 1349 O PRO A 22 -17.829 17.780 -0.819 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.914 16.130 -3.371 1.00 0.00 C ATOM 1351 CG PRO A 22 -16.596 14.699 -3.851 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.587 14.076 -2.878 1.00 0.00 C ATOM 0 HA PRO A 22 -15.599 17.154 -1.894 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.992 16.288 -3.339 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.504 16.863 -4.066 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.506 14.100 -3.889 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -16.186 14.720 -4.861 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.863 13.058 -2.604 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.585 14.031 -3.306 1.00 0.00 H new ATOM 1360 N MET A 23 -17.816 15.681 -0.162 1.00 0.00 N ATOM 1361 CA MET A 23 -18.877 15.939 0.863 1.00 0.00 C ATOM 1362 C MET A 23 -18.231 16.222 2.225 1.00 0.00 C ATOM 1363 O MET A 23 -18.886 16.654 3.151 1.00 0.00 O ATOM 1364 CB MET A 23 -19.783 14.708 0.981 1.00 0.00 C ATOM 1365 CG MET A 23 -20.558 14.495 -0.325 1.00 0.00 C ATOM 1366 SD MET A 23 -19.489 13.690 -1.544 1.00 0.00 S ATOM 1367 CE MET A 23 -20.410 14.197 -3.018 1.00 0.00 C ATOM 0 H MET A 23 -17.480 14.719 -0.204 1.00 0.00 H new ATOM 0 HA MET A 23 -19.466 16.803 0.556 1.00 0.00 H new ATOM 0 HB2 MET A 23 -19.183 13.826 1.205 1.00 0.00 H new ATOM 0 HB3 MET A 23 -20.480 14.838 1.809 1.00 0.00 H new ATOM 0 HG2 MET A 23 -21.440 13.882 -0.140 1.00 0.00 H new ATOM 0 HG3 MET A 23 -20.910 15.452 -0.711 1.00 0.00 H new ATOM 0 HE1 MET A 23 -19.919 13.803 -3.908 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.427 13.809 -2.963 1.00 0.00 H new ATOM 0 HE3 MET A 23 -20.440 15.285 -3.072 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.955 15.976 2.356 1.00 0.00 N ATOM 1378 CA GLY A 24 -16.269 16.221 3.661 1.00 0.00 C ATOM 1379 C GLY A 24 -16.310 14.942 4.501 1.00 0.00 C ATOM 1380 O GLY A 24 -16.359 14.983 5.714 1.00 0.00 O ATOM 0 H GLY A 24 -16.355 15.615 1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.236 16.525 3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.758 17.036 4.195 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.298 13.804 3.855 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.341 12.496 4.575 1.00 0.00 C ATOM 1386 C ASP A 25 -14.958 11.808 4.469 1.00 0.00 C ATOM 1387 O ASP A 25 -14.555 11.441 3.384 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.371 11.605 3.869 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.727 12.313 3.827 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.777 13.481 4.175 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.694 11.673 3.445 1.00 0.00 O ATOM 0 H ASP A 25 -16.259 13.725 2.839 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.601 12.651 5.622 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.037 11.379 2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.463 10.654 4.394 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.222 11.619 5.556 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.883 10.953 5.466 1.00 0.00 C ATOM 1398 C PRO A 26 -12.925 9.625 4.693 1.00 0.00 C ATOM 1399 O PRO A 26 -13.839 8.837 4.839 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.535 10.723 6.948 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.423 11.657 7.780 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.642 12.041 6.926 1.00 0.00 C ATOM 0 HA PRO A 26 -12.153 11.550 4.920 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.707 9.683 7.225 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.481 10.932 7.131 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.741 11.162 8.698 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.868 12.548 8.074 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.545 11.524 7.251 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.852 13.110 6.975 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.921 9.366 3.897 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.871 8.077 3.132 1.00 0.00 C ATOM 1412 C VAL A 27 -10.427 7.578 3.043 1.00 0.00 C ATOM 1413 O VAL A 27 -9.489 8.337 3.187 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.456 8.255 1.718 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -13.991 8.188 1.793 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.999 9.614 1.116 1.00 0.00 C ATOM 0 H VAL A 27 -11.130 9.991 3.741 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.474 7.339 3.662 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.094 7.456 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.410 8.314 0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.294 7.221 2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.359 8.982 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.419 9.729 0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.347 10.429 1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.911 9.639 1.058 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.235 6.303 2.787 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.853 5.762 2.671 1.00 0.00 C ATOM 1428 C CYS A 28 -8.328 5.992 1.245 1.00 0.00 C ATOM 1429 O CYS A 28 -9.082 6.172 0.311 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.832 4.263 3.044 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.655 3.244 1.788 1.00 0.00 S ATOM 0 H CYS A 28 -10.980 5.619 2.654 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.197 6.285 3.367 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.800 3.932 3.161 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.324 4.121 4.006 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.032 6.017 1.092 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.406 6.269 -0.246 1.00 0.00 C ATOM 1438 C ASN A 29 -7.081 5.453 -1.353 1.00 0.00 C ATOM 1439 O ASN A 29 -7.270 5.932 -2.456 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.937 5.847 -0.160 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.195 6.243 -1.437 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.763 6.245 -2.511 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -2.937 6.578 -1.362 1.00 0.00 N ATOM 0 H ASN A 29 -6.365 5.871 1.850 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.516 7.325 -0.491 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.466 6.318 0.703 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.869 4.769 -0.011 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.428 6.842 -2.206 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.462 6.576 -0.460 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.419 4.229 -1.093 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.044 3.399 -2.160 1.00 0.00 C ATOM 1452 C ALA A 30 -9.465 3.892 -2.499 1.00 0.00 C ATOM 1453 O ALA A 30 -9.797 4.086 -3.651 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.087 1.952 -1.692 1.00 0.00 C ATOM 0 H ALA A 30 -7.292 3.764 -0.194 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.446 3.483 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.543 1.333 -2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.073 1.602 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.676 1.883 -0.777 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.317 4.067 -1.518 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.718 4.514 -1.822 1.00 0.00 C ATOM 1462 C CYS A 31 -11.705 5.827 -2.602 1.00 0.00 C ATOM 1463 O CYS A 31 -12.502 6.035 -3.487 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.506 4.739 -0.526 1.00 0.00 C ATOM 1465 SG CYS A 31 -12.987 3.156 0.196 1.00 0.00 S ATOM 0 H CYS A 31 -10.109 3.922 -0.530 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.190 3.731 -2.415 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.899 5.301 0.184 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.393 5.338 -0.731 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.828 6.723 -2.271 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.808 8.026 -2.988 1.00 0.00 C ATOM 1472 C GLY A 32 -10.587 7.798 -4.481 1.00 0.00 C ATOM 1473 O GLY A 32 -11.294 8.337 -5.310 1.00 0.00 O ATOM 0 H GLY A 32 -10.126 6.614 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.749 8.553 -2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.016 8.659 -2.587 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.608 7.018 -4.835 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.343 6.777 -6.279 1.00 0.00 C ATOM 1479 C LEU A 33 -10.468 5.934 -6.893 1.00 0.00 C ATOM 1480 O LEU A 33 -10.984 6.253 -7.944 1.00 0.00 O ATOM 1481 CB LEU A 33 -8.007 6.049 -6.412 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.892 6.922 -5.809 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.640 6.073 -5.564 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.553 8.085 -6.763 1.00 0.00 C ATOM 0 H LEU A 33 -8.981 6.538 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.303 7.728 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.050 5.088 -5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.795 5.841 -7.461 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.240 7.331 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.855 6.697 -5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.878 5.265 -4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.295 5.652 -6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.763 8.696 -6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.215 7.685 -7.719 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.441 8.698 -6.919 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.857 4.863 -6.256 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.944 4.012 -6.825 1.00 0.00 C ATOM 1498 C TYR A 34 -13.215 4.849 -6.963 1.00 0.00 C ATOM 1499 O TYR A 34 -13.954 4.732 -7.918 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.219 2.833 -5.886 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.154 1.853 -6.561 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.528 2.111 -6.605 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.642 0.689 -7.146 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.390 1.203 -7.237 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.506 -0.217 -7.775 1.00 0.00 C ATOM 1506 CZ TYR A 34 -14.879 0.041 -7.820 1.00 0.00 C ATOM 1507 OH TYR A 34 -15.728 -0.851 -8.443 1.00 0.00 O ATOM 0 H TYR A 34 -10.471 4.540 -5.369 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.638 3.636 -7.801 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.284 2.338 -5.625 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.661 3.191 -4.956 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.925 3.008 -6.153 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.581 0.489 -7.113 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.451 1.403 -7.273 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.111 -1.115 -8.225 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.210 -1.604 -8.796 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.480 5.677 -5.995 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.711 6.511 -6.034 1.00 0.00 C ATOM 1519 C TYR A 35 -14.698 7.408 -7.277 1.00 0.00 C ATOM 1520 O TYR A 35 -15.677 7.535 -7.957 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.768 7.386 -4.778 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.103 8.088 -4.701 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -17.196 7.444 -4.105 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -16.246 9.381 -5.214 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.432 8.093 -4.022 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -17.482 10.034 -5.131 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.576 9.391 -4.535 1.00 0.00 C ATOM 1528 OH TYR A 35 -19.794 10.036 -4.451 1.00 0.00 O ATOM 0 H TYR A 35 -12.893 5.813 -5.172 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.584 5.860 -6.073 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.618 6.772 -3.890 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -13.962 8.120 -4.798 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -17.084 6.445 -3.709 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -15.403 9.876 -5.674 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -19.274 7.596 -3.564 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -17.592 11.033 -5.526 1.00 0.00 H new ATOM 0 HH TYR A 35 -19.721 10.927 -4.853 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.609 8.033 -7.584 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.590 8.924 -8.783 1.00 0.00 C ATOM 1540 C LYS A 36 -14.013 8.137 -10.035 1.00 0.00 C ATOM 1541 O LYS A 36 -14.849 8.587 -10.793 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.173 9.470 -8.942 1.00 0.00 C ATOM 1543 CG LYS A 36 -12.093 10.448 -10.116 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.655 10.985 -10.237 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.782 10.000 -11.021 1.00 0.00 C ATOM 1546 NZ LYS A 36 -10.363 9.795 -12.377 1.00 0.00 N ATOM 0 H LYS A 36 -12.732 7.973 -7.067 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.293 9.748 -8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.867 9.972 -8.024 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.477 8.646 -9.102 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.386 9.949 -11.040 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.789 11.273 -9.965 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.662 11.953 -10.738 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.234 11.143 -9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.765 10.384 -11.103 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.722 9.049 -10.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.610 9.517 -13.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.083 9.046 -12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.802 10.679 -12.704 1.00 0.00 H new ATOM 1560 N LEU A 37 -13.481 6.973 -10.259 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.905 6.184 -11.459 1.00 0.00 C ATOM 1562 C LEU A 37 -15.325 5.644 -11.245 1.00 0.00 C ATOM 1563 O LEU A 37 -16.119 5.536 -12.158 1.00 0.00 O ATOM 1564 CB LEU A 37 -12.942 5.017 -11.656 1.00 0.00 C ATOM 1565 CG LEU A 37 -11.618 5.531 -12.230 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -11.018 6.595 -11.302 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -10.640 4.363 -12.362 1.00 0.00 C ATOM 0 H LEU A 37 -12.775 6.530 -9.672 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.893 6.825 -12.341 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.766 4.514 -10.705 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.380 4.281 -12.330 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.800 5.975 -13.208 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.077 6.953 -11.720 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.714 7.429 -11.207 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.836 6.160 -10.319 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.696 4.723 -12.770 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.466 3.921 -11.381 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.060 3.610 -13.029 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.621 5.286 -10.029 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.954 4.718 -9.657 1.00 0.00 C ATOM 1581 C HIS A 38 -17.688 5.709 -8.765 1.00 0.00 C ATOM 1582 O HIS A 38 -18.236 5.325 -7.779 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.777 3.403 -8.912 1.00 0.00 C ATOM 1584 CG HIS A 38 -16.279 2.348 -9.864 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -17.113 1.374 -10.392 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -15.040 2.114 -10.402 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -16.371 0.605 -11.210 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -15.099 1.012 -11.252 1.00 0.00 N ATOM 0 H HIS A 38 -14.972 5.365 -9.246 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.530 4.535 -10.564 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.071 3.530 -8.092 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.724 3.092 -8.472 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.153 2.696 -10.198 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -16.756 -0.238 -11.765 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -14.335 0.604 -11.791 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.634 6.973 -9.107 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.305 8.068 -8.299 1.00 0.00 C ATOM 1598 C GLN A 39 -19.582 7.534 -7.612 1.00 0.00 C ATOM 1599 O GLN A 39 -20.675 8.013 -7.821 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.647 9.229 -9.241 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.166 10.437 -8.447 1.00 0.00 C ATOM 1602 CD GLN A 39 -19.387 11.611 -9.403 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -18.642 11.791 -10.343 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -20.395 12.416 -9.206 1.00 0.00 N ATOM 0 H GLN A 39 -17.142 7.311 -9.934 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.629 8.414 -7.517 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.763 9.515 -9.810 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -19.400 8.910 -9.961 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -20.098 10.183 -7.943 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -18.450 10.713 -7.673 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.022 12.265 -8.416 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -20.556 13.197 -9.843 1.00 0.00 H new ATOM 1613 N VAL A 40 -19.419 6.535 -6.791 1.00 0.00 N ATOM 1614 CA VAL A 40 -20.543 5.919 -6.053 1.00 0.00 C ATOM 1615 C VAL A 40 -19.961 5.153 -4.863 1.00 0.00 C ATOM 1616 O VAL A 40 -18.760 5.015 -4.735 1.00 0.00 O ATOM 1617 CB VAL A 40 -21.319 4.938 -6.947 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -22.027 5.700 -8.069 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -20.392 3.857 -7.561 1.00 0.00 C ATOM 0 H VAL A 40 -18.513 6.108 -6.598 1.00 0.00 H new ATOM 0 HA VAL A 40 -21.230 6.699 -5.726 1.00 0.00 H new ATOM 0 HB VAL A 40 -22.053 4.434 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -22.574 4.997 -8.697 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.723 6.419 -7.637 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.289 6.228 -8.673 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -20.981 3.185 -8.185 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -19.625 4.338 -8.168 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -19.918 3.288 -6.762 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.790 4.628 -4.008 1.00 0.00 N ATOM 1630 CA ASN A 41 -20.257 3.850 -2.854 1.00 0.00 C ATOM 1631 C ASN A 41 -19.903 2.435 -3.346 1.00 0.00 C ATOM 1632 O ASN A 41 -20.685 1.784 -4.008 1.00 0.00 O ATOM 1633 CB ASN A 41 -21.319 3.780 -1.756 1.00 0.00 C ATOM 1634 CG ASN A 41 -22.617 3.218 -2.340 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.760 3.113 -3.541 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -23.576 2.854 -1.535 1.00 0.00 N ATOM 0 H ASN A 41 -21.806 4.702 -4.055 1.00 0.00 H new ATOM 0 HA ASN A 41 -19.367 4.330 -2.447 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.972 3.148 -0.938 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -21.494 4.772 -1.340 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -24.446 2.481 -1.914 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -23.456 2.942 -0.526 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.704 1.980 -3.070 1.00 0.00 N ATOM 1644 CA ARG A 42 -18.244 0.634 -3.554 1.00 0.00 C ATOM 1645 C ARG A 42 -18.395 -0.458 -2.464 1.00 0.00 C ATOM 1646 O ARG A 42 -18.377 -0.169 -1.288 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.758 0.737 -3.968 1.00 0.00 C ATOM 1648 CG ARG A 42 -16.022 1.806 -3.134 1.00 0.00 C ATOM 1649 CD ARG A 42 -16.075 1.477 -1.629 1.00 0.00 C ATOM 1650 NE ARG A 42 -17.263 2.144 -1.020 1.00 0.00 N ATOM 1651 CZ ARG A 42 -17.662 1.817 0.177 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -16.980 0.952 0.877 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -18.739 2.363 0.675 1.00 0.00 N ATOM 0 H ARG A 42 -18.012 2.491 -2.521 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.867 0.346 -4.401 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.273 -0.230 -3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.689 0.986 -5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.983 1.871 -3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.473 2.782 -3.311 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -16.134 0.398 -1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.162 1.816 -1.139 1.00 0.00 H new ATOM 0 HE ARG A 42 -17.766 2.860 -1.544 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -16.136 0.533 0.487 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.291 0.695 1.814 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -19.266 3.044 0.127 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -19.053 2.109 1.611 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.528 -1.718 -2.853 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.647 -2.831 -1.860 1.00 0.00 C ATOM 1669 C PRO A 43 -17.317 -3.077 -1.124 1.00 0.00 C ATOM 1670 O PRO A 43 -16.249 -2.842 -1.655 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.998 -4.024 -2.762 1.00 0.00 C ATOM 1672 CG PRO A 43 -18.546 -3.663 -4.179 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.570 -2.132 -4.288 1.00 0.00 C ATOM 0 HA PRO A 43 -19.375 -2.635 -1.073 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -18.498 -4.929 -2.417 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -20.069 -4.223 -2.738 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -17.544 -4.047 -4.373 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -19.208 -4.112 -4.920 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.717 -1.749 -4.848 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.468 -1.773 -4.790 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.382 -3.541 0.089 1.00 0.00 N ATOM 1682 CA LEU A 44 -16.138 -3.795 0.876 1.00 0.00 C ATOM 1683 C LEU A 44 -15.370 -4.998 0.312 1.00 0.00 C ATOM 1684 O LEU A 44 -14.488 -5.530 0.955 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.538 -4.076 2.332 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.625 -2.764 3.110 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.799 -1.930 2.591 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.837 -3.070 4.592 1.00 0.00 C ATOM 0 H LEU A 44 -18.251 -3.759 0.578 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.488 -2.922 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.498 -4.591 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.807 -4.737 2.798 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.700 -2.203 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.856 -0.996 3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.651 -1.712 1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.727 -2.487 2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.900 -2.136 5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.763 -3.632 4.719 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -16.000 -3.661 4.965 1.00 0.00 H new ATOM 1700 N THR A 45 -15.676 -5.423 -0.874 1.00 0.00 N ATOM 1701 CA THR A 45 -14.939 -6.580 -1.445 1.00 0.00 C ATOM 1702 C THR A 45 -13.470 -6.187 -1.686 1.00 0.00 C ATOM 1703 O THR A 45 -12.612 -7.035 -1.831 1.00 0.00 O ATOM 1704 CB THR A 45 -15.605 -6.997 -2.764 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.772 -5.854 -3.590 1.00 0.00 O ATOM 1706 CG2 THR A 45 -16.976 -7.621 -2.475 1.00 0.00 C ATOM 0 H THR A 45 -16.400 -5.024 -1.472 1.00 0.00 H new ATOM 0 HA THR A 45 -14.966 -7.419 -0.750 1.00 0.00 H new ATOM 0 HB THR A 45 -14.975 -7.727 -3.272 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.195 -6.119 -4.433 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.446 -7.916 -3.413 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.850 -8.498 -1.841 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.607 -6.893 -1.966 1.00 0.00 H new ATOM 1714 N MET A 46 -13.176 -4.906 -1.737 1.00 0.00 N ATOM 1715 CA MET A 46 -11.758 -4.462 -1.984 1.00 0.00 C ATOM 1716 C MET A 46 -11.070 -4.086 -0.664 1.00 0.00 C ATOM 1717 O MET A 46 -9.908 -3.733 -0.639 1.00 0.00 O ATOM 1718 CB MET A 46 -11.763 -3.244 -2.915 1.00 0.00 C ATOM 1719 CG MET A 46 -12.387 -3.635 -4.256 1.00 0.00 C ATOM 1720 SD MET A 46 -11.267 -4.751 -5.143 1.00 0.00 S ATOM 1721 CE MET A 46 -9.966 -3.552 -5.537 1.00 0.00 C ATOM 0 H MET A 46 -13.851 -4.151 -1.619 1.00 0.00 H new ATOM 0 HA MET A 46 -11.210 -5.284 -2.444 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.327 -2.428 -2.462 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.746 -2.883 -3.066 1.00 0.00 H new ATOM 0 HG2 MET A 46 -13.349 -4.122 -4.093 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.578 -2.744 -4.854 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.455 -3.856 -6.451 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.410 -2.567 -5.680 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.249 -3.511 -4.717 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.780 -4.147 0.426 1.00 0.00 N ATOM 1732 CA ARG A 47 -11.175 -3.783 1.744 1.00 0.00 C ATOM 1733 C ARG A 47 -10.396 -4.966 2.347 1.00 0.00 C ATOM 1734 O ARG A 47 -10.907 -6.061 2.463 1.00 0.00 O ATOM 1735 CB ARG A 47 -12.301 -3.359 2.688 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.754 -3.088 4.087 1.00 0.00 C ATOM 1737 CD ARG A 47 -12.860 -2.434 4.914 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.418 -2.261 6.341 1.00 0.00 N ATOM 1739 CZ ARG A 47 -12.094 -3.281 7.088 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -12.266 -4.498 6.653 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -11.634 -3.085 8.294 1.00 0.00 N ATOM 0 H ARG A 47 -12.758 -4.434 0.465 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.468 -2.965 1.602 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.789 -2.464 2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.059 -4.141 2.733 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.429 -4.017 4.555 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.882 -2.436 4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.117 -1.465 4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.760 -3.047 4.878 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.370 -1.322 6.736 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.656 -4.657 5.724 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.011 -5.291 7.242 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.528 -2.136 8.651 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.380 -3.881 8.879 1.00 0.00 H new ATOM 1755 N LYS A 48 -9.169 -4.733 2.762 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.340 -5.815 3.399 1.00 0.00 C ATOM 1757 C LYS A 48 -7.845 -5.304 4.756 1.00 0.00 C ATOM 1758 O LYS A 48 -7.610 -4.125 4.933 1.00 0.00 O ATOM 1759 CB LYS A 48 -7.137 -6.160 2.507 1.00 0.00 C ATOM 1760 CG LYS A 48 -7.600 -6.918 1.245 1.00 0.00 C ATOM 1761 CD LYS A 48 -7.714 -8.430 1.535 1.00 0.00 C ATOM 1762 CE LYS A 48 -6.335 -9.108 1.423 1.00 0.00 C ATOM 1763 NZ LYS A 48 -6.277 -10.260 2.369 1.00 0.00 N ATOM 0 H LYS A 48 -8.701 -3.830 2.686 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.942 -6.714 3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.616 -5.247 2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.426 -6.770 3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.564 -6.531 0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.893 -6.750 0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.121 -8.585 2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.409 -8.889 0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.167 -9.451 0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.545 -8.393 1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.348 -10.722 2.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.420 -9.919 3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.023 -10.944 2.129 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.715 -6.167 5.731 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.274 -5.703 7.080 1.00 0.00 C ATOM 1779 C ASP A 49 -6.062 -4.780 6.959 1.00 0.00 C ATOM 1780 O ASP A 49 -6.188 -3.573 6.912 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.898 -6.908 7.945 1.00 0.00 C ATOM 1782 CG ASP A 49 -8.147 -7.737 8.241 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -9.088 -7.182 8.785 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -8.142 -8.914 7.920 1.00 0.00 O ATOM 0 H ASP A 49 -7.894 -7.168 5.652 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.096 -5.156 7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.157 -7.520 7.431 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.443 -6.572 8.877 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.885 -5.341 6.930 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.664 -4.497 6.834 1.00 0.00 C ATOM 1791 C GLY A 50 -3.527 -3.947 5.418 1.00 0.00 C ATOM 1792 O GLY A 50 -4.403 -4.108 4.590 1.00 0.00 O ATOM 0 H GLY A 50 -4.717 -6.346 6.969 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.721 -3.676 7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.783 -5.085 7.093 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.434 -3.292 5.131 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.234 -2.721 3.772 1.00 0.00 C ATOM 1798 C ILE A 51 -1.502 -3.727 2.876 1.00 0.00 C ATOM 1799 O ILE A 51 -0.529 -4.341 3.266 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.428 -1.427 3.896 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -1.984 -0.616 5.086 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.549 -0.626 2.597 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.635 0.874 4.950 1.00 0.00 C ATOM 0 H ILE A 51 -1.668 -3.128 5.785 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.200 -2.506 3.316 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.375 -1.648 4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.066 -0.736 5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.575 -1.005 6.018 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.975 0.297 2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.162 -1.218 1.767 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.596 -0.386 2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.039 1.421 5.802 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.552 0.993 4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.066 1.266 4.029 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.969 -3.878 1.669 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.320 -4.820 0.712 1.00 0.00 C ATOM 1817 C GLN A 52 0.025 -4.232 0.278 1.00 0.00 C ATOM 1818 O GLN A 52 0.219 -3.037 0.312 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.230 -5.003 -0.504 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.471 -5.799 -0.094 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.500 -5.758 -1.225 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.703 -6.738 -1.916 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -5.163 -4.655 -1.445 1.00 0.00 N ATOM 0 H GLN A 52 -2.781 -3.384 1.299 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.156 -5.789 1.184 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.523 -4.032 -0.903 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.695 -5.525 -1.297 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.198 -6.831 0.126 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.899 -5.381 0.817 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.993 -3.833 -0.865 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.851 -4.615 -2.197 1.00 0.00 H new ATOM 1832 N THR A 53 0.976 -5.055 -0.092 1.00 0.00 N ATOM 1833 CA THR A 53 2.315 -4.511 -0.492 1.00 0.00 C ATOM 1834 C THR A 53 2.915 -5.304 -1.657 1.00 0.00 C ATOM 1835 O THR A 53 2.581 -6.444 -1.910 1.00 0.00 O ATOM 1836 CB THR A 53 3.268 -4.562 0.708 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.605 -4.712 0.249 1.00 0.00 O ATOM 1838 CG2 THR A 53 2.895 -5.737 1.600 1.00 0.00 C ATOM 0 H THR A 53 0.887 -6.070 -0.135 1.00 0.00 H new ATOM 0 HA THR A 53 2.179 -3.480 -0.818 1.00 0.00 H new ATOM 0 HB THR A 53 3.187 -3.636 1.277 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.213 -4.743 1.017 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.572 -5.775 2.454 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.871 -5.615 1.953 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.975 -6.664 1.033 1.00 0.00 H new ATOM 1846 N ARG A 54 3.817 -4.670 -2.347 1.00 0.00 N ATOM 1847 CA ARG A 54 4.513 -5.297 -3.509 1.00 0.00 C ATOM 1848 C ARG A 54 5.906 -4.689 -3.639 1.00 0.00 C ATOM 1849 O ARG A 54 6.225 -3.708 -2.998 1.00 0.00 O ATOM 1850 CB ARG A 54 3.736 -5.039 -4.805 1.00 0.00 C ATOM 1851 CG ARG A 54 2.467 -5.890 -4.829 1.00 0.00 C ATOM 1852 CD ARG A 54 1.711 -5.620 -6.131 1.00 0.00 C ATOM 1853 NE ARG A 54 0.504 -6.508 -6.216 1.00 0.00 N ATOM 1854 CZ ARG A 54 0.611 -7.810 -6.219 1.00 0.00 C ATOM 1855 NH1 ARG A 54 1.783 -8.378 -6.284 1.00 0.00 N ATOM 1856 NH2 ARG A 54 -0.466 -8.547 -6.197 1.00 0.00 N ATOM 0 H ARG A 54 4.112 -3.714 -2.150 1.00 0.00 H new ATOM 0 HA ARG A 54 4.578 -6.372 -3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.477 -3.983 -4.880 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.360 -5.276 -5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.721 -6.947 -4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.837 -5.652 -3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.407 -4.574 -6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.365 -5.798 -6.985 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.422 -6.085 -6.273 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.625 -7.805 -6.333 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.857 -9.395 -6.286 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.385 -8.106 -6.178 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.388 -9.564 -6.199 1.00 0.00 H new ATOM 1870 N ASN A 55 6.735 -5.248 -4.470 1.00 0.00 N ATOM 1871 CA ASN A 55 8.097 -4.672 -4.632 1.00 0.00 C ATOM 1872 C ASN A 55 7.947 -3.187 -4.994 1.00 0.00 C ATOM 1873 O ASN A 55 7.114 -2.811 -5.794 1.00 0.00 O ATOM 1874 CB ASN A 55 8.849 -5.422 -5.737 1.00 0.00 C ATOM 1875 CG ASN A 55 9.188 -6.837 -5.259 1.00 0.00 C ATOM 1876 OD1 ASN A 55 9.067 -7.787 -6.006 1.00 0.00 O ATOM 1877 ND2 ASN A 55 9.614 -7.019 -4.038 1.00 0.00 N ATOM 0 H ASN A 55 6.533 -6.070 -5.039 1.00 0.00 H new ATOM 0 HA ASN A 55 8.667 -4.771 -3.708 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.239 -5.468 -6.639 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.762 -4.887 -5.997 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.845 -7.958 -3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.716 -6.222 -3.409 1.00 0.00 H new ATOM 1884 N ARG A 56 8.729 -2.339 -4.375 1.00 0.00 N ATOM 1885 CA ARG A 56 8.620 -0.869 -4.633 1.00 0.00 C ATOM 1886 C ARG A 56 8.858 -0.542 -6.109 1.00 0.00 C ATOM 1887 O ARG A 56 9.831 -0.956 -6.708 1.00 0.00 O ATOM 1888 CB ARG A 56 9.661 -0.124 -3.776 1.00 0.00 C ATOM 1889 CG ARG A 56 9.739 1.352 -4.206 1.00 0.00 C ATOM 1890 CD ARG A 56 10.373 2.198 -3.090 1.00 0.00 C ATOM 1891 NE ARG A 56 11.335 1.363 -2.320 1.00 0.00 N ATOM 1892 CZ ARG A 56 12.198 1.926 -1.518 1.00 0.00 C ATOM 1893 NH1 ARG A 56 12.280 3.228 -1.445 1.00 0.00 N ATOM 1894 NH2 ARG A 56 12.993 1.182 -0.798 1.00 0.00 N ATOM 0 H ARG A 56 9.444 -2.603 -3.697 1.00 0.00 H new ATOM 0 HA ARG A 56 7.611 -0.551 -4.370 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.391 -0.190 -2.722 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.638 -0.595 -3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.328 1.442 -5.119 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.740 1.725 -4.433 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.885 3.060 -3.518 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.599 2.584 -2.427 1.00 0.00 H new ATOM 0 HE ARG A 56 11.320 0.348 -2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.668 3.810 -2.016 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.956 3.662 -0.817 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.938 0.166 -0.863 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.669 1.617 -0.170 1.00 0.00 H new ATOM 1908 N LYS A 57 7.971 0.224 -6.688 1.00 0.00 N ATOM 1909 CA LYS A 57 8.123 0.619 -8.113 1.00 0.00 C ATOM 1910 C LYS A 57 9.543 1.124 -8.347 1.00 0.00 C ATOM 1911 O LYS A 57 10.201 1.592 -7.440 1.00 0.00 O ATOM 1912 CB LYS A 57 7.128 1.748 -8.434 1.00 0.00 C ATOM 1913 CG LYS A 57 7.432 2.336 -9.818 1.00 0.00 C ATOM 1914 CD LYS A 57 6.287 3.247 -10.263 1.00 0.00 C ATOM 1915 CE LYS A 57 6.237 4.496 -9.382 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.439 5.549 -10.068 1.00 0.00 N ATOM 0 H LYS A 57 7.140 0.595 -6.227 1.00 0.00 H new ATOM 0 HA LYS A 57 7.927 -0.240 -8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.108 1.364 -8.409 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.193 2.528 -7.676 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.364 2.900 -9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.570 1.532 -10.541 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.424 3.533 -11.306 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.340 2.711 -10.201 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.791 4.257 -8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.246 4.858 -9.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.054 6.355 -10.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.033 5.162 -10.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.672 5.867 -9.442 1.00 0.00 H new ATOM 1930 N VAL A 58 10.011 1.065 -9.567 1.00 0.00 N ATOM 1931 CA VAL A 58 11.376 1.581 -9.864 1.00 0.00 C ATOM 1932 C VAL A 58 11.468 2.988 -9.270 1.00 0.00 C ATOM 1933 O VAL A 58 10.492 3.504 -8.761 1.00 0.00 O ATOM 1934 CB VAL A 58 11.577 1.625 -11.385 1.00 0.00 C ATOM 1935 CG1 VAL A 58 10.586 2.604 -12.016 1.00 0.00 C ATOM 1936 CG2 VAL A 58 13.008 2.066 -11.710 1.00 0.00 C ATOM 0 H VAL A 58 9.507 0.682 -10.367 1.00 0.00 H new ATOM 0 HA VAL A 58 12.147 0.941 -9.435 1.00 0.00 H new ATOM 0 HB VAL A 58 11.405 0.628 -11.791 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.736 2.629 -13.095 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.568 2.282 -11.798 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.747 3.600 -11.605 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.143 2.095 -12.791 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.186 3.058 -11.295 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.714 1.359 -11.275 1.00 0.00 H new ATOM 1946 N SER A 59 12.598 3.631 -9.301 1.00 0.00 N ATOM 1947 CA SER A 59 12.639 4.989 -8.695 1.00 0.00 C ATOM 1948 C SER A 59 11.538 5.831 -9.345 1.00 0.00 C ATOM 1949 O SER A 59 11.161 5.592 -10.474 1.00 0.00 O ATOM 1950 CB SER A 59 14.005 5.629 -8.931 1.00 0.00 C ATOM 1951 OG SER A 59 14.356 5.485 -10.301 1.00 0.00 O ATOM 0 H SER A 59 13.470 3.290 -9.706 1.00 0.00 H new ATOM 0 HA SER A 59 12.478 4.928 -7.619 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.978 6.684 -8.659 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.756 5.156 -8.299 1.00 0.00 H new ATOM 0 HG SER A 59 14.354 6.364 -10.733 1.00 0.00 H new ATOM 1957 N SER A 60 11.002 6.798 -8.653 1.00 0.00 N ATOM 1958 CA SER A 60 9.915 7.614 -9.266 1.00 0.00 C ATOM 1959 C SER A 60 10.364 8.078 -10.648 1.00 0.00 C ATOM 1960 O SER A 60 9.693 7.868 -11.638 1.00 0.00 O ATOM 1961 CB SER A 60 9.642 8.830 -8.391 1.00 0.00 C ATOM 1962 OG SER A 60 10.784 9.677 -8.389 1.00 0.00 O ATOM 0 H SER A 60 11.265 7.057 -7.702 1.00 0.00 H new ATOM 0 HA SER A 60 9.007 7.017 -9.352 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.774 9.373 -8.765 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.408 8.515 -7.374 1.00 0.00 H new ATOM 0 HG SER A 60 10.609 10.461 -7.828 1.00 0.00 H new ATOM 1968 N LYS A 61 11.516 8.686 -10.715 1.00 0.00 N ATOM 1969 CA LYS A 61 12.064 9.152 -12.022 1.00 0.00 C ATOM 1970 C LYS A 61 13.538 8.767 -12.079 1.00 0.00 C ATOM 1971 O LYS A 61 14.215 8.717 -11.072 1.00 0.00 O ATOM 1972 CB LYS A 61 11.919 10.673 -12.133 1.00 0.00 C ATOM 1973 CG LYS A 61 10.435 11.028 -12.256 1.00 0.00 C ATOM 1974 CD LYS A 61 10.268 12.544 -12.369 1.00 0.00 C ATOM 1975 CE LYS A 61 8.778 12.883 -12.488 1.00 0.00 C ATOM 1976 NZ LYS A 61 8.616 14.278 -12.985 1.00 0.00 N ATOM 0 H LYS A 61 12.110 8.883 -9.909 1.00 0.00 H new ATOM 0 HA LYS A 61 11.520 8.691 -12.847 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.350 11.157 -11.256 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.467 11.040 -13.001 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.007 10.540 -13.132 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.891 10.658 -11.387 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.695 13.034 -11.494 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.808 12.917 -13.239 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.290 12.186 -13.169 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.292 12.774 -11.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.604 14.503 -13.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.067 14.938 -12.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.065 14.368 -13.919 1.00 0.00 H new ATOM 1990 N GLY A 62 14.041 8.484 -13.243 1.00 0.00 N ATOM 1991 CA GLY A 62 15.471 8.092 -13.354 1.00 0.00 C ATOM 1992 C GLY A 62 15.903 8.178 -14.815 1.00 0.00 C ATOM 1993 O GLY A 62 15.093 8.361 -15.700 1.00 0.00 O ATOM 0 H GLY A 62 13.526 8.507 -14.123 1.00 0.00 H new ATOM 0 HA2 GLY A 62 16.089 8.748 -12.740 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.613 7.078 -12.980 1.00 0.00 H new ATOM 1997 N LYS A 63 17.175 8.053 -15.075 1.00 0.00 N ATOM 1998 CA LYS A 63 17.668 8.134 -16.480 1.00 0.00 C ATOM 1999 C LYS A 63 18.854 7.189 -16.665 1.00 0.00 C ATOM 2000 O LYS A 63 19.593 6.921 -15.738 1.00 0.00 O ATOM 2001 CB LYS A 63 18.114 9.565 -16.769 1.00 0.00 C ATOM 2002 CG LYS A 63 19.168 9.968 -15.739 1.00 0.00 C ATOM 2003 CD LYS A 63 19.571 11.441 -15.930 1.00 0.00 C ATOM 2004 CE LYS A 63 20.662 11.551 -17.001 1.00 0.00 C ATOM 2005 NZ LYS A 63 21.104 12.970 -17.120 1.00 0.00 N ATOM 0 H LYS A 63 17.898 7.898 -14.372 1.00 0.00 H new ATOM 0 HA LYS A 63 16.869 7.848 -17.164 1.00 0.00 H new ATOM 0 HB2 LYS A 63 18.524 9.637 -17.777 1.00 0.00 H new ATOM 0 HB3 LYS A 63 17.262 10.243 -16.722 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.777 9.819 -14.732 1.00 0.00 H new ATOM 0 HG3 LYS A 63 20.045 9.329 -15.838 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.702 12.029 -16.223 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.932 11.853 -14.988 1.00 0.00 H new ATOM 0 HE2 LYS A 63 21.509 10.917 -16.739 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.282 11.196 -17.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 21.844 13.043 -17.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.294 13.564 -17.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.482 13.293 -16.207 1.00 0.00 H new ATOM 2019 N LYS A 64 19.044 6.693 -17.862 1.00 0.00 N ATOM 2020 CA LYS A 64 20.190 5.769 -18.140 1.00 0.00 C ATOM 2021 C LYS A 64 20.982 6.321 -19.332 1.00 0.00 C ATOM 2022 O LYS A 64 22.158 6.059 -19.485 1.00 0.00 O ATOM 2023 CB LYS A 64 19.636 4.360 -18.462 1.00 0.00 C ATOM 2024 CG LYS A 64 20.455 3.276 -17.743 1.00 0.00 C ATOM 2025 CD LYS A 64 21.868 3.230 -18.327 1.00 0.00 C ATOM 2026 CE LYS A 64 22.624 2.033 -17.748 1.00 0.00 C ATOM 2027 NZ LYS A 64 21.875 0.780 -18.047 1.00 0.00 N ATOM 0 H LYS A 64 18.449 6.890 -18.667 1.00 0.00 H new ATOM 0 HA LYS A 64 20.847 5.697 -17.273 1.00 0.00 H new ATOM 0 HB2 LYS A 64 18.592 4.296 -18.157 1.00 0.00 H new ATOM 0 HB3 LYS A 64 19.664 4.190 -19.538 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.499 3.488 -16.675 1.00 0.00 H new ATOM 0 HG3 LYS A 64 19.972 2.306 -17.856 1.00 0.00 H new ATOM 0 HD2 LYS A 64 21.821 3.152 -19.413 1.00 0.00 H new ATOM 0 HD3 LYS A 64 22.398 4.154 -18.096 1.00 0.00 H new ATOM 0 HE2 LYS A 64 23.626 1.981 -18.175 1.00 0.00 H new ATOM 0 HE3 LYS A 64 22.742 2.150 -16.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 22.546 0.027 -18.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 21.333 0.491 -17.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 21.223 0.946 -18.840 1.00 0.00 H new ATOM 2041 N ARG A 65 20.340 7.085 -20.178 1.00 0.00 N ATOM 2042 CA ARG A 65 21.045 7.657 -21.363 1.00 0.00 C ATOM 2043 C ARG A 65 20.483 9.045 -21.679 1.00 0.00 C ATOM 2044 O ARG A 65 19.376 9.381 -21.306 1.00 0.00 O ATOM 2045 CB ARG A 65 20.843 6.734 -22.568 1.00 0.00 C ATOM 2046 CG ARG A 65 19.350 6.516 -22.818 1.00 0.00 C ATOM 2047 CD ARG A 65 19.169 5.630 -24.052 1.00 0.00 C ATOM 2048 NE ARG A 65 19.579 4.233 -23.734 1.00 0.00 N ATOM 2049 CZ ARG A 65 19.236 3.260 -24.533 1.00 0.00 C ATOM 2050 NH1 ARG A 65 18.485 3.508 -25.571 1.00 0.00 N ATOM 2051 NH2 ARG A 65 19.632 2.040 -24.290 1.00 0.00 N ATOM 0 H ARG A 65 19.355 7.338 -20.098 1.00 0.00 H new ATOM 0 HA ARG A 65 22.109 7.744 -21.144 1.00 0.00 H new ATOM 0 HB2 ARG A 65 21.308 7.170 -23.452 1.00 0.00 H new ATOM 0 HB3 ARG A 65 21.333 5.777 -22.389 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.888 6.048 -21.949 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.851 7.473 -22.967 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.128 5.649 -24.375 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.766 6.015 -24.878 1.00 0.00 H new ATOM 0 HE ARG A 65 20.126 4.038 -22.895 1.00 0.00 H new ATOM 0 HH11 ARG A 65 18.168 4.460 -25.756 1.00 0.00 H new ATOM 0 HH12 ARG A 65 18.215 2.750 -26.198 1.00 0.00 H new ATOM 0 HH21 ARG A 65 20.211 1.845 -23.473 1.00 0.00 H new ATOM 0 HH22 ARG A 65 19.362 1.282 -24.917 1.00 0.00 H new ATOM 2065 N ARG A 66 21.247 9.858 -22.360 1.00 0.00 N ATOM 2066 CA ARG A 66 20.770 11.230 -22.699 1.00 0.00 C ATOM 2067 C ARG A 66 19.395 11.147 -23.365 1.00 0.00 C ATOM 2068 O ARG A 66 19.305 10.531 -24.415 1.00 0.00 O ATOM 2069 CB ARG A 66 21.752 11.894 -23.666 1.00 0.00 C ATOM 2070 CG ARG A 66 23.091 12.130 -22.966 1.00 0.00 C ATOM 2071 CD ARG A 66 24.048 12.817 -23.940 1.00 0.00 C ATOM 2072 NE ARG A 66 25.367 13.030 -23.283 1.00 0.00 N ATOM 2073 CZ ARG A 66 26.416 13.308 -24.006 1.00 0.00 C ATOM 2074 NH1 ARG A 66 26.315 13.357 -25.308 1.00 0.00 N ATOM 2075 NH2 ARG A 66 27.565 13.530 -23.431 1.00 0.00 N ATOM 2076 OXT ARG A 66 18.459 11.704 -22.818 1.00 0.00 O ATOM 0 H ARG A 66 22.183 9.630 -22.696 1.00 0.00 H new ATOM 0 HA ARG A 66 20.701 11.818 -21.784 1.00 0.00 H new ATOM 0 HB2 ARG A 66 21.896 11.262 -24.543 1.00 0.00 H new ATOM 0 HB3 ARG A 66 21.344 12.841 -24.019 1.00 0.00 H new ATOM 0 HG2 ARG A 66 22.948 12.748 -22.079 1.00 0.00 H new ATOM 0 HG3 ARG A 66 23.512 11.183 -22.630 1.00 0.00 H new ATOM 0 HD2 ARG A 66 24.171 12.207 -24.835 1.00 0.00 H new ATOM 0 HD3 ARG A 66 23.632 13.772 -24.260 1.00 0.00 H new ATOM 0 HE ARG A 66 25.450 12.959 -22.269 1.00 0.00 H new ATOM 0 HH11 ARG A 66 25.417 13.178 -25.757 1.00 0.00 H new ATOM 0 HH12 ARG A 66 27.134 13.574 -25.875 1.00 0.00 H new ATOM 0 HH21 ARG A 66 27.644 13.486 -22.415 1.00 0.00 H new ATOM 0 HH22 ARG A 66 28.385 13.747 -23.997 1.00 0.00 H new TER 2090 ARG A 66 HETATM 2091 ZN ZN A 67 -11.931 3.069 2.208 1.00 0.00 ZN