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 48 LYS NZ :NH3+ -132:sc= -0.557 (180deg=-3.84!) USER MOD Set 1.2: A 52 GLN : amide:sc= 0.396 K(o=-0.16,f=-4.3) USER MOD Set 2.1: A 16 THR OG1 : rot -118:sc= 0.0206 USER MOD Set 2.2: A 29 ASN : amide:sc= -8.47! C(o=-9.5!,f=-11!) USER MOD Set 2.3: C 125 DT C7 :methyl -30:sc= -1.03 (180deg=-1.28) USER MOD Single : A 1 LYS N :NH3+ -131:sc= -0.146 (180deg=-0.468) USER MOD Single : A 1 LYS NZ :NH3+ 158:sc= -0.1 (180deg=-0.868) USER MOD Single : A 5 THR OG1 : rot -129:sc= -1.98! USER MOD Single : A 8 SER OG : rot 71:sc= 1.21 USER MOD Single : A 9 ASN : amide:sc= -1.65! K(o=-1.7!,f=-0.056) USER MOD Single : A 11 GLN : amide:sc=-0.00749 X(o=-0.0075,f=-0.32) USER MOD Single : A 12 THR OG1 : rot -110:sc= 0.273 USER MOD Single : A 13 SER OG : rot 2:sc= 0.967 USER MOD Single : A 14 THR OG1 : rot 58:sc= 0.39 USER MOD Single : A 15 THR OG1 : rot -134:sc= 1.4 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 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -5.66! C(o=-5.7!,f=-12!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 41 ASN : amide:sc= -1.72! C(o=-1.7!,f=-4.1!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 161:sc= -0.0981 (180deg=-0.873) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0329 USER MOD Single : A 55 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.016) USER MOD Single : A 57 LYS NZ :NH3+ -116:sc= 0.434 (180deg=0) USER MOD Single : A 59 SER OG : rot 21:sc= 0.219 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -153:sc= -0.111 (180deg=-0.698) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 DG O5' : rot 180:sc= -0.0168 USER MOD Single : B 102 DT C7 :methyl -30:sc= -0.92 (180deg=-1.79!) USER MOD Single : B 103 DT C7 :methyl -30:sc= -1.43 (180deg=-1.98!) USER MOD Single : B 109 DT C7 :methyl -30:sc= -0.734 (180deg=-1.28) USER MOD Single : B 115 DT C7 :methyl 150:sc= -1.72! (180deg=-1.72!) USER MOD Single : B 116 DT C7 :methyl 150:sc= -0.599 (180deg=-0.599) USER MOD Single : B 116 DT O3' : rot 180:sc= 0 USER MOD Single : C 117 DA O5' : rot 71:sc= -2.25! USER MOD Single : C 119 DT C7 :methyl 150:sc= -0.712 (180deg=-0.712) USER MOD Single : C 121 DT C7 :methyl 150:sc= -0.312 (180deg=-0.312) USER MOD Single : C 122 DT C7 :methyl 150:sc= -0.746 (180deg=-0.746) USER MOD Single : C 123 DT C7 :methyl -30:sc= -1.35 (180deg=-3.19!) USER MOD Single : C 127 DT C7 :methyl 150:sc= -1.39 (180deg=-1.39) USER MOD Single : C 132 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG B 101 19.635 22.852 8.768 1.00 0.00 O ATOM 2 C5' DG B 101 20.030 22.384 10.059 1.00 0.00 C ATOM 3 C4' DG B 101 18.965 21.473 10.679 1.00 0.00 C ATOM 4 O4' DG B 101 17.818 22.254 11.078 1.00 0.00 O ATOM 5 C3' DG B 101 18.489 20.390 9.702 1.00 0.00 C ATOM 6 O3' DG B 101 18.529 19.098 10.316 1.00 0.00 O ATOM 7 C2' DG B 101 17.064 20.759 9.362 1.00 0.00 C ATOM 8 C1' DG B 101 16.646 21.849 10.340 1.00 0.00 C ATOM 9 N9 DG B 101 16.054 23.003 9.635 1.00 0.00 N ATOM 10 C8 DG B 101 16.533 23.705 8.565 1.00 0.00 C ATOM 11 N7 DG B 101 15.779 24.686 8.167 1.00 0.00 N ATOM 12 C5 DG B 101 14.701 24.634 9.049 1.00 0.00 C ATOM 13 C6 DG B 101 13.545 25.455 9.123 1.00 0.00 C ATOM 14 O6 DG B 101 13.239 26.408 8.410 1.00 0.00 O ATOM 15 N1 DG B 101 12.711 25.064 10.163 1.00 0.00 N ATOM 16 C2 DG B 101 12.952 24.015 11.023 1.00 0.00 C ATOM 17 N2 DG B 101 12.030 23.793 11.959 1.00 0.00 N ATOM 18 N3 DG B 101 14.036 23.240 10.954 1.00 0.00 N ATOM 19 C4 DG B 101 14.864 23.606 9.949 1.00 0.00 C ATOM 0 H5' DG B 101 20.209 23.235 10.716 1.00 0.00 H new ATOM 0 H5'' DG B 101 20.972 21.841 9.977 1.00 0.00 H new ATOM 0 H4' DG B 101 19.426 20.990 11.540 1.00 0.00 H new ATOM 0 H3' DG B 101 19.125 20.340 8.818 1.00 0.00 H new ATOM 0 H2' DG B 101 16.991 21.114 8.334 1.00 0.00 H new ATOM 0 H2'' DG B 101 16.409 19.892 9.447 1.00 0.00 H new ATOM 0 HO5' DG B 101 20.335 23.431 8.402 1.00 0.00 H new ATOM 0 H1' DG B 101 15.883 21.463 11.017 1.00 0.00 H new ATOM 0 H8 DG B 101 17.470 23.462 8.085 1.00 0.00 H new ATOM 0 H1 DG B 101 11.852 25.596 10.301 1.00 0.00 H new ATOM 0 H21 DG B 101 12.153 23.030 12.625 1.00 0.00 H new ATOM 0 H22 DG B 101 11.202 24.386 12.009 1.00 0.00 H new ATOM 32 P DT B 102 18.039 17.785 9.515 1.00 0.00 P ATOM 33 OP1 DT B 102 18.852 16.634 9.969 1.00 0.00 O ATOM 34 OP2 DT B 102 17.976 18.121 8.074 1.00 0.00 O ATOM 35 O5' DT B 102 16.528 17.583 10.048 1.00 0.00 O ATOM 36 C5' DT B 102 16.282 17.370 11.441 1.00 0.00 C ATOM 37 C4' DT B 102 14.789 17.199 11.759 1.00 0.00 C ATOM 38 O4' DT B 102 14.080 18.455 11.600 1.00 0.00 O ATOM 39 C3' DT B 102 14.110 16.164 10.849 1.00 0.00 C ATOM 40 O3' DT B 102 13.576 15.091 11.630 1.00 0.00 O ATOM 41 C2' DT B 102 12.988 16.900 10.151 1.00 0.00 C ATOM 42 C1' DT B 102 12.873 18.262 10.823 1.00 0.00 C ATOM 43 N1 DT B 102 12.691 19.359 9.827 1.00 0.00 N ATOM 44 C2 DT B 102 11.551 20.153 9.915 1.00 0.00 C ATOM 45 O2 DT B 102 10.687 19.960 10.767 1.00 0.00 O ATOM 46 N3 DT B 102 11.444 21.174 8.986 1.00 0.00 N ATOM 47 C4 DT B 102 12.357 21.467 7.989 1.00 0.00 C ATOM 48 O4 DT B 102 12.163 22.403 7.217 1.00 0.00 O ATOM 49 C5 DT B 102 13.507 20.588 7.967 1.00 0.00 C ATOM 50 C7 DT B 102 14.577 20.791 6.888 1.00 0.00 C ATOM 51 C6 DT B 102 13.633 19.586 8.869 1.00 0.00 C ATOM 0 H5' DT B 102 16.676 18.213 12.009 1.00 0.00 H new ATOM 0 H5'' DT B 102 16.823 16.483 11.770 1.00 0.00 H new ATOM 0 H4' DT B 102 14.742 16.854 12.792 1.00 0.00 H new ATOM 0 H3' DT B 102 14.816 15.734 10.139 1.00 0.00 H new ATOM 0 H2' DT B 102 13.200 17.010 9.087 1.00 0.00 H new ATOM 0 H2'' DT B 102 12.052 16.347 10.234 1.00 0.00 H new ATOM 0 H1' DT B 102 11.992 18.291 11.464 1.00 0.00 H new ATOM 0 H3 DT B 102 10.615 21.765 9.042 1.00 0.00 H new ATOM 0 H71 DT B 102 14.115 21.200 5.990 1.00 0.00 H new ATOM 0 H72 DT B 102 15.335 21.483 7.253 1.00 0.00 H new ATOM 0 H73 DT B 102 15.043 19.834 6.653 1.00 0.00 H new ATOM 0 H6 DT B 102 14.504 18.949 8.828 1.00 0.00 H new ATOM 64 P DT B 103 12.805 13.859 10.932 1.00 0.00 P ATOM 65 OP1 DT B 103 12.912 12.683 11.822 1.00 0.00 O ATOM 66 OP2 DT B 103 13.257 13.765 9.525 1.00 0.00 O ATOM 67 O5' DT B 103 11.271 14.361 10.940 1.00 0.00 O ATOM 68 C5' DT B 103 10.640 14.645 12.192 1.00 0.00 C ATOM 69 C4' DT B 103 9.188 15.117 12.049 1.00 0.00 C ATOM 70 O4' DT B 103 9.141 16.450 11.487 1.00 0.00 O ATOM 71 C3' DT B 103 8.348 14.198 11.152 1.00 0.00 C ATOM 72 O3' DT B 103 7.274 13.653 11.917 1.00 0.00 O ATOM 73 C2' DT B 103 7.799 15.088 10.056 1.00 0.00 C ATOM 74 C1' DT B 103 8.144 16.523 10.448 1.00 0.00 C ATOM 75 N1 DT B 103 8.649 17.307 9.287 1.00 0.00 N ATOM 76 C2 DT B 103 7.960 18.453 8.909 1.00 0.00 C ATOM 77 O2 DT B 103 6.930 18.812 9.475 1.00 0.00 O ATOM 78 N3 DT B 103 8.498 19.167 7.855 1.00 0.00 N ATOM 79 C4 DT B 103 9.644 18.841 7.152 1.00 0.00 C ATOM 80 O4 DT B 103 10.041 19.554 6.235 1.00 0.00 O ATOM 81 C5 DT B 103 10.291 17.632 7.607 1.00 0.00 C ATOM 82 C7 DT B 103 11.564 17.161 6.894 1.00 0.00 C ATOM 83 C6 DT B 103 9.781 16.919 8.640 1.00 0.00 C ATOM 0 H5' DT B 103 11.213 15.411 12.714 1.00 0.00 H new ATOM 0 H5'' DT B 103 10.664 13.750 12.814 1.00 0.00 H new ATOM 0 H4' DT B 103 8.768 15.101 13.055 1.00 0.00 H new ATOM 0 H3' DT B 103 8.931 13.372 10.744 1.00 0.00 H new ATOM 0 H2' DT B 103 8.239 14.833 9.092 1.00 0.00 H new ATOM 0 H2'' DT B 103 6.721 14.961 9.957 1.00 0.00 H new ATOM 0 H1' DT B 103 7.250 17.038 10.799 1.00 0.00 H new ATOM 0 H3 DT B 103 8.004 20.013 7.569 1.00 0.00 H new ATOM 0 H71 DT B 103 11.533 17.473 5.850 1.00 0.00 H new ATOM 0 H72 DT B 103 12.436 17.600 7.379 1.00 0.00 H new ATOM 0 H73 DT B 103 11.629 16.074 6.946 1.00 0.00 H new ATOM 0 H6 DT B 103 10.286 16.019 8.958 1.00 0.00 H new ATOM 96 P DG B 104 6.248 12.577 11.307 1.00 0.00 P ATOM 97 OP1 DG B 104 5.671 11.798 12.426 1.00 0.00 O ATOM 98 OP2 DG B 104 6.924 11.876 10.192 1.00 0.00 O ATOM 99 O5' DG B 104 5.083 13.495 10.688 1.00 0.00 O ATOM 100 C5' DG B 104 4.339 14.381 11.526 1.00 0.00 C ATOM 101 C4' DG B 104 3.228 15.086 10.746 1.00 0.00 C ATOM 102 O4' DG B 104 3.805 16.024 9.802 1.00 0.00 O ATOM 103 C3' DG B 104 2.393 14.072 9.954 1.00 0.00 C ATOM 104 O3' DG B 104 0.993 14.279 10.182 1.00 0.00 O ATOM 105 C2' DG B 104 2.718 14.333 8.505 1.00 0.00 C ATOM 106 C1' DG B 104 3.457 15.661 8.444 1.00 0.00 C ATOM 107 N9 DG B 104 4.660 15.576 7.579 1.00 0.00 N ATOM 108 C8 DG B 104 5.668 14.651 7.577 1.00 0.00 C ATOM 109 N7 DG B 104 6.593 14.842 6.683 1.00 0.00 N ATOM 110 C5 DG B 104 6.171 15.996 6.026 1.00 0.00 C ATOM 111 C6 DG B 104 6.773 16.702 4.945 1.00 0.00 C ATOM 112 O6 DG B 104 7.816 16.444 4.348 1.00 0.00 O ATOM 113 N1 DG B 104 6.022 17.813 4.583 1.00 0.00 N ATOM 114 C2 DG B 104 4.841 18.201 5.180 1.00 0.00 C ATOM 115 N2 DG B 104 4.267 19.302 4.694 1.00 0.00 N ATOM 116 N3 DG B 104 4.272 17.540 6.195 1.00 0.00 N ATOM 117 C4 DG B 104 4.989 16.452 6.566 1.00 0.00 C ATOM 0 H5' DG B 104 5.009 15.124 11.959 1.00 0.00 H new ATOM 0 H5'' DG B 104 3.905 13.822 12.355 1.00 0.00 H new ATOM 0 H4' DG B 104 2.594 15.606 11.465 1.00 0.00 H new ATOM 0 H3' DG B 104 2.620 13.049 10.253 1.00 0.00 H new ATOM 0 H2' DG B 104 3.333 13.531 8.098 1.00 0.00 H new ATOM 0 H2'' DG B 104 1.808 14.371 7.907 1.00 0.00 H new ATOM 0 H1' DG B 104 2.821 16.426 7.999 1.00 0.00 H new ATOM 0 H8 DG B 104 5.694 13.822 8.268 1.00 0.00 H new ATOM 0 H1 DG B 104 6.371 18.387 3.815 1.00 0.00 H new ATOM 0 H21 DG B 104 3.392 19.640 5.094 1.00 0.00 H new ATOM 0 H22 DG B 104 4.703 19.806 3.922 1.00 0.00 H new ATOM 129 P DC B 105 -0.110 13.342 9.464 1.00 0.00 P ATOM 130 OP1 DC B 105 -1.337 13.365 10.294 1.00 0.00 O ATOM 131 OP2 DC B 105 0.531 12.050 9.137 1.00 0.00 O ATOM 132 O5' DC B 105 -0.428 14.110 8.080 1.00 0.00 O ATOM 133 C5' DC B 105 -0.963 15.434 8.104 1.00 0.00 C ATOM 134 C4' DC B 105 -1.201 16.005 6.698 1.00 0.00 C ATOM 135 O4' DC B 105 0.053 16.280 6.026 1.00 0.00 O ATOM 136 C3' DC B 105 -2.005 15.054 5.805 1.00 0.00 C ATOM 137 O3' DC B 105 -3.195 15.714 5.367 1.00 0.00 O ATOM 138 C2' DC B 105 -1.119 14.736 4.628 1.00 0.00 C ATOM 139 C1' DC B 105 0.060 15.690 4.701 1.00 0.00 C ATOM 140 N1 DC B 105 1.353 15.000 4.445 1.00 0.00 N ATOM 141 C2 DC B 105 2.140 15.433 3.381 1.00 0.00 C ATOM 142 O2 DC B 105 1.725 16.313 2.629 1.00 0.00 O ATOM 143 N3 DC B 105 3.360 14.858 3.201 1.00 0.00 N ATOM 144 C4 DC B 105 3.795 13.897 4.026 1.00 0.00 C ATOM 145 N4 DC B 105 5.002 13.366 3.832 1.00 0.00 N ATOM 146 C5 DC B 105 2.988 13.444 5.116 1.00 0.00 C ATOM 147 C6 DC B 105 1.780 14.019 5.279 1.00 0.00 C ATOM 0 H5' DC B 105 -0.279 16.088 8.646 1.00 0.00 H new ATOM 0 H5'' DC B 105 -1.904 15.431 8.654 1.00 0.00 H new ATOM 0 H4' DC B 105 -1.768 16.924 6.848 1.00 0.00 H new ATOM 0 H3' DC B 105 -2.297 14.145 6.331 1.00 0.00 H new ATOM 0 H2' DC B 105 -0.782 13.700 4.666 1.00 0.00 H new ATOM 0 H2'' DC B 105 -1.661 14.861 3.690 1.00 0.00 H new ATOM 0 H1' DC B 105 -0.038 16.453 3.929 1.00 0.00 H new ATOM 0 H41 DC B 105 5.343 12.633 4.455 1.00 0.00 H new ATOM 0 H42 DC B 105 5.585 13.692 3.061 1.00 0.00 H new ATOM 0 H5 DC B 105 3.334 12.669 5.784 1.00 0.00 H new ATOM 0 H6 DC B 105 1.141 13.693 6.087 1.00 0.00 H new ATOM 159 P DA B 106 -4.268 14.994 4.408 1.00 0.00 P ATOM 160 OP1 DA B 106 -5.594 15.603 4.660 1.00 0.00 O ATOM 161 OP2 DA B 106 -4.094 13.530 4.537 1.00 0.00 O ATOM 162 O5' DA B 106 -3.784 15.434 2.931 1.00 0.00 O ATOM 163 C5' DA B 106 -3.733 16.823 2.584 1.00 0.00 C ATOM 164 C4' DA B 106 -3.251 17.064 1.145 1.00 0.00 C ATOM 165 O4' DA B 106 -1.849 16.727 0.991 1.00 0.00 O ATOM 166 C3' DA B 106 -4.046 16.242 0.127 1.00 0.00 C ATOM 167 O3' DA B 106 -4.638 17.116 -0.826 1.00 0.00 O ATOM 168 C2' DA B 106 -3.042 15.339 -0.558 1.00 0.00 C ATOM 169 C1' DA B 106 -1.662 15.789 -0.101 1.00 0.00 C ATOM 170 N9 DA B 106 -0.865 14.646 0.345 1.00 0.00 N ATOM 171 C8 DA B 106 -1.149 13.798 1.344 1.00 0.00 C ATOM 172 N7 DA B 106 -0.249 12.898 1.589 1.00 0.00 N ATOM 173 C5 DA B 106 0.734 13.177 0.641 1.00 0.00 C ATOM 174 C6 DA B 106 1.966 12.583 0.351 1.00 0.00 C ATOM 175 N6 DA B 106 2.454 11.546 1.029 1.00 0.00 N ATOM 176 N1 DA B 106 2.681 13.105 -0.658 1.00 0.00 N ATOM 177 C2 DA B 106 2.213 14.147 -1.343 1.00 0.00 C ATOM 178 N3 DA B 106 1.061 14.788 -1.148 1.00 0.00 N ATOM 179 C4 DA B 106 0.365 14.242 -0.129 1.00 0.00 C ATOM 0 H5' DA B 106 -3.068 17.341 3.276 1.00 0.00 H new ATOM 0 H5'' DA B 106 -4.724 17.260 2.707 1.00 0.00 H new ATOM 0 H4' DA B 106 -3.405 18.126 0.955 1.00 0.00 H new ATOM 0 H3' DA B 106 -4.841 15.666 0.602 1.00 0.00 H new ATOM 0 H2' DA B 106 -3.216 14.296 -0.293 1.00 0.00 H new ATOM 0 H2'' DA B 106 -3.133 15.412 -1.642 1.00 0.00 H new ATOM 0 H1' DA B 106 -1.127 16.259 -0.926 1.00 0.00 H new ATOM 0 H8 DA B 106 -2.068 13.861 1.908 1.00 0.00 H new ATOM 0 H61 DA B 106 3.359 11.151 0.775 1.00 0.00 H new ATOM 0 H62 DA B 106 1.922 11.147 1.803 1.00 0.00 H new ATOM 0 H2 DA B 106 2.836 14.513 -2.145 1.00 0.00 H new ATOM 191 P DG B 107 -5.535 16.543 -2.024 1.00 0.00 P ATOM 192 OP1 DG B 107 -6.362 17.648 -2.558 1.00 0.00 O ATOM 193 OP2 DG B 107 -6.170 15.282 -1.577 1.00 0.00 O ATOM 194 O5' DG B 107 -4.396 16.195 -3.098 1.00 0.00 O ATOM 195 C5' DG B 107 -3.547 17.231 -3.586 1.00 0.00 C ATOM 196 C4' DG B 107 -2.502 16.698 -4.565 1.00 0.00 C ATOM 197 O4' DG B 107 -1.504 15.890 -3.886 1.00 0.00 O ATOM 198 C3' DG B 107 -3.133 15.829 -5.656 1.00 0.00 C ATOM 199 O3' DG B 107 -2.815 16.376 -6.938 1.00 0.00 O ATOM 200 C2' DG B 107 -2.516 14.465 -5.488 1.00 0.00 C ATOM 201 C1' DG B 107 -1.286 14.673 -4.634 1.00 0.00 C ATOM 202 N9 DG B 107 -1.013 13.512 -3.754 1.00 0.00 N ATOM 203 C8 DG B 107 -1.780 12.946 -2.764 1.00 0.00 C ATOM 204 N7 DG B 107 -1.245 11.930 -2.173 1.00 0.00 N ATOM 205 C5 DG B 107 -0.022 11.794 -2.805 1.00 0.00 C ATOM 206 C6 DG B 107 1.000 10.848 -2.577 1.00 0.00 C ATOM 207 O6 DG B 107 1.003 9.919 -1.776 1.00 0.00 O ATOM 208 N1 DG B 107 2.079 11.051 -3.422 1.00 0.00 N ATOM 209 C2 DG B 107 2.162 12.043 -4.379 1.00 0.00 C ATOM 210 N2 DG B 107 3.285 12.081 -5.096 1.00 0.00 N ATOM 211 N3 DG B 107 1.194 12.937 -4.597 1.00 0.00 N ATOM 212 C4 DG B 107 0.135 12.753 -3.774 1.00 0.00 C ATOM 0 H5' DG B 107 -3.046 17.714 -2.748 1.00 0.00 H new ATOM 0 H5'' DG B 107 -4.151 17.993 -4.079 1.00 0.00 H new ATOM 0 H4' DG B 107 -2.038 17.577 -5.013 1.00 0.00 H new ATOM 0 H3' DG B 107 -4.219 15.782 -5.581 1.00 0.00 H new ATOM 0 H2' DG B 107 -3.213 13.777 -5.009 1.00 0.00 H new ATOM 0 H2'' DG B 107 -2.253 14.033 -6.454 1.00 0.00 H new ATOM 0 H1' DG B 107 -0.396 14.763 -5.257 1.00 0.00 H new ATOM 0 H8 DG B 107 -2.757 13.323 -2.500 1.00 0.00 H new ATOM 0 H1 DG B 107 2.874 10.418 -3.330 1.00 0.00 H new ATOM 0 H21 DG B 107 3.405 12.791 -5.818 1.00 0.00 H new ATOM 0 H22 DG B 107 4.024 11.400 -4.922 1.00 0.00 H new ATOM 224 P DA B 108 -3.327 15.698 -8.303 1.00 0.00 P ATOM 225 OP1 DA B 108 -3.594 16.775 -9.282 1.00 0.00 O ATOM 226 OP2 DA B 108 -4.390 14.725 -7.967 1.00 0.00 O ATOM 227 O5' DA B 108 -2.028 14.879 -8.794 1.00 0.00 O ATOM 228 C5' DA B 108 -0.806 15.579 -9.065 1.00 0.00 C ATOM 229 C4' DA B 108 0.319 14.642 -9.520 1.00 0.00 C ATOM 230 O4' DA B 108 0.779 13.815 -8.420 1.00 0.00 O ATOM 231 C3' DA B 108 -0.130 13.709 -10.652 1.00 0.00 C ATOM 232 O3' DA B 108 0.697 13.895 -11.805 1.00 0.00 O ATOM 233 C2' DA B 108 0.027 12.309 -10.116 1.00 0.00 C ATOM 234 C1' DA B 108 0.797 12.424 -8.813 1.00 0.00 C ATOM 235 N9 DA B 108 0.206 11.559 -7.770 1.00 0.00 N ATOM 236 C8 DA B 108 -1.080 11.508 -7.309 1.00 0.00 C ATOM 237 N7 DA B 108 -1.321 10.566 -6.451 1.00 0.00 N ATOM 238 C5 DA B 108 -0.084 9.939 -6.321 1.00 0.00 C ATOM 239 C6 DA B 108 0.344 8.855 -5.558 1.00 0.00 C ATOM 240 N6 DA B 108 -0.477 8.142 -4.798 1.00 0.00 N ATOM 241 N1 DA B 108 1.637 8.498 -5.653 1.00 0.00 N ATOM 242 C2 DA B 108 2.458 9.164 -6.462 1.00 0.00 C ATOM 243 N3 DA B 108 2.152 10.201 -7.237 1.00 0.00 N ATOM 244 C4 DA B 108 0.850 10.537 -7.114 1.00 0.00 C ATOM 0 H5' DA B 108 -0.490 16.112 -8.168 1.00 0.00 H new ATOM 0 H5'' DA B 108 -0.984 16.329 -9.836 1.00 0.00 H new ATOM 0 H4' DA B 108 1.123 15.284 -9.879 1.00 0.00 H new ATOM 0 H3' DA B 108 -1.157 13.910 -10.955 1.00 0.00 H new ATOM 0 H2' DA B 108 -0.946 11.847 -9.951 1.00 0.00 H new ATOM 0 H2'' DA B 108 0.562 11.680 -10.827 1.00 0.00 H new ATOM 0 H1' DA B 108 1.825 12.087 -8.946 1.00 0.00 H new ATOM 0 H8 DA B 108 -1.840 12.202 -7.636 1.00 0.00 H new ATOM 0 H61 DA B 108 -0.117 7.356 -4.256 1.00 0.00 H new ATOM 0 H62 DA B 108 -1.468 8.380 -4.755 1.00 0.00 H new ATOM 0 H2 DA B 108 3.483 8.826 -6.492 1.00 0.00 H new ATOM 256 P DT B 109 0.450 13.042 -13.149 1.00 0.00 P ATOM 257 OP1 DT B 109 0.995 13.811 -14.289 1.00 0.00 O ATOM 258 OP2 DT B 109 -0.964 12.604 -13.165 1.00 0.00 O ATOM 259 O5' DT B 109 1.380 11.738 -12.930 1.00 0.00 O ATOM 260 C5' DT B 109 2.793 11.897 -12.765 1.00 0.00 C ATOM 261 C4' DT B 109 3.528 10.562 -12.568 1.00 0.00 C ATOM 262 O4' DT B 109 3.233 9.999 -11.269 1.00 0.00 O ATOM 263 C3' DT B 109 3.149 9.522 -13.637 1.00 0.00 C ATOM 264 O3' DT B 109 4.298 9.158 -14.405 1.00 0.00 O ATOM 265 C2' DT B 109 2.655 8.315 -12.865 1.00 0.00 C ATOM 266 C1' DT B 109 2.955 8.590 -11.392 1.00 0.00 C ATOM 267 N1 DT B 109 1.819 8.194 -10.516 1.00 0.00 N ATOM 268 C2 DT B 109 2.041 7.237 -9.532 1.00 0.00 C ATOM 269 O2 DT B 109 3.135 6.700 -9.379 1.00 0.00 O ATOM 270 N3 DT B 109 0.957 6.925 -8.733 1.00 0.00 N ATOM 271 C4 DT B 109 -0.310 7.475 -8.826 1.00 0.00 C ATOM 272 O4 DT B 109 -1.203 7.123 -8.059 1.00 0.00 O ATOM 273 C5 DT B 109 -0.451 8.457 -9.877 1.00 0.00 C ATOM 274 C7 DT B 109 -1.816 9.121 -10.094 1.00 0.00 C ATOM 275 C6 DT B 109 0.598 8.778 -10.670 1.00 0.00 C ATOM 0 H5' DT B 109 2.983 12.540 -11.906 1.00 0.00 H new ATOM 0 H5'' DT B 109 3.201 12.404 -13.639 1.00 0.00 H new ATOM 0 H4' DT B 109 4.591 10.787 -12.654 1.00 0.00 H new ATOM 0 H3' DT B 109 2.400 9.910 -14.327 1.00 0.00 H new ATOM 0 H2' DT B 109 1.587 8.165 -13.022 1.00 0.00 H new ATOM 0 H2'' DT B 109 3.157 7.408 -13.200 1.00 0.00 H new ATOM 0 H1' DT B 109 3.811 7.997 -11.069 1.00 0.00 H new ATOM 0 H3 DT B 109 1.104 6.224 -8.007 1.00 0.00 H new ATOM 0 H71 DT B 109 -2.607 8.429 -9.806 1.00 0.00 H new ATOM 0 H72 DT B 109 -1.883 10.023 -9.485 1.00 0.00 H new ATOM 0 H73 DT B 109 -1.929 9.384 -11.146 1.00 0.00 H new ATOM 0 H6 DT B 109 0.463 9.517 -11.446 1.00 0.00 H new ATOM 288 P DA B 110 4.192 8.151 -15.662 1.00 0.00 P ATOM 289 OP1 DA B 110 5.331 8.422 -16.568 1.00 0.00 O ATOM 290 OP2 DA B 110 2.808 8.205 -16.182 1.00 0.00 O ATOM 291 O5' DA B 110 4.421 6.708 -14.985 1.00 0.00 O ATOM 292 C5' DA B 110 5.642 6.445 -14.298 1.00 0.00 C ATOM 293 C4' DA B 110 5.703 5.031 -13.714 1.00 0.00 C ATOM 294 O4' DA B 110 4.744 4.894 -12.628 1.00 0.00 O ATOM 295 C3' DA B 110 5.379 3.943 -14.741 1.00 0.00 C ATOM 296 O3' DA B 110 6.403 2.952 -14.674 1.00 0.00 O ATOM 297 C2' DA B 110 4.052 3.361 -14.339 1.00 0.00 C ATOM 298 C1' DA B 110 3.773 3.858 -12.930 1.00 0.00 C ATOM 299 N9 DA B 110 2.387 4.362 -12.803 1.00 0.00 N ATOM 300 C8 DA B 110 1.712 5.250 -13.596 1.00 0.00 C ATOM 301 N7 DA B 110 0.489 5.492 -13.234 1.00 0.00 N ATOM 302 C5 DA B 110 0.333 4.700 -12.098 1.00 0.00 C ATOM 303 C6 DA B 110 -0.746 4.498 -11.230 1.00 0.00 C ATOM 304 N6 DA B 110 -1.926 5.097 -11.392 1.00 0.00 N ATOM 305 N1 DA B 110 -0.567 3.649 -10.202 1.00 0.00 N ATOM 306 C2 DA B 110 0.607 3.035 -10.037 1.00 0.00 C ATOM 307 N3 DA B 110 1.690 3.154 -10.803 1.00 0.00 N ATOM 308 C4 DA B 110 1.480 4.011 -11.825 1.00 0.00 C ATOM 0 H5' DA B 110 5.764 7.171 -13.494 1.00 0.00 H new ATOM 0 H5'' DA B 110 6.477 6.586 -14.984 1.00 0.00 H new ATOM 0 H4' DA B 110 6.728 4.897 -13.369 1.00 0.00 H new ATOM 0 H3' DA B 110 5.330 4.327 -15.760 1.00 0.00 H new ATOM 0 H2' DA B 110 3.266 3.677 -15.025 1.00 0.00 H new ATOM 0 H2'' DA B 110 4.081 2.272 -14.368 1.00 0.00 H new ATOM 0 H1' DA B 110 3.867 3.039 -12.217 1.00 0.00 H new ATOM 0 H8 DA B 110 2.164 5.715 -14.460 1.00 0.00 H new ATOM 0 H61 DA B 110 -2.683 4.918 -10.733 1.00 0.00 H new ATOM 0 H62 DA B 110 -2.071 5.734 -12.175 1.00 0.00 H new ATOM 0 H2 DA B 110 0.687 2.369 -9.190 1.00 0.00 H new ATOM 320 P DA B 111 6.408 1.634 -15.592 1.00 0.00 P ATOM 321 OP1 DA B 111 7.811 1.284 -15.908 1.00 0.00 O ATOM 322 OP2 DA B 111 5.418 1.809 -16.679 1.00 0.00 O ATOM 323 O5' DA B 111 5.834 0.556 -14.544 1.00 0.00 O ATOM 324 C5' DA B 111 6.573 0.333 -13.340 1.00 0.00 C ATOM 325 C4' DA B 111 5.868 -0.608 -12.360 1.00 0.00 C ATOM 326 O4' DA B 111 4.615 -0.032 -11.923 1.00 0.00 O ATOM 327 C3' DA B 111 5.573 -1.989 -12.958 1.00 0.00 C ATOM 328 O3' DA B 111 6.190 -3.003 -12.164 1.00 0.00 O ATOM 329 C2' DA B 111 4.074 -2.149 -12.899 1.00 0.00 C ATOM 330 C1' DA B 111 3.531 -0.964 -12.113 1.00 0.00 C ATOM 331 N9 DA B 111 2.418 -0.332 -12.837 1.00 0.00 N ATOM 332 C8 DA B 111 2.417 0.222 -14.078 1.00 0.00 C ATOM 333 N7 DA B 111 1.280 0.721 -14.460 1.00 0.00 N ATOM 334 C5 DA B 111 0.448 0.470 -13.373 1.00 0.00 C ATOM 335 C6 DA B 111 -0.901 0.745 -13.128 1.00 0.00 C ATOM 336 N6 DA B 111 -1.683 1.379 -14.001 1.00 0.00 N ATOM 337 N1 DA B 111 -1.408 0.353 -11.947 1.00 0.00 N ATOM 338 C2 DA B 111 -0.634 -0.269 -11.057 1.00 0.00 C ATOM 339 N3 DA B 111 0.652 -0.575 -11.187 1.00 0.00 N ATOM 340 C4 DA B 111 1.132 -0.172 -12.380 1.00 0.00 C ATOM 0 H5' DA B 111 6.751 1.290 -12.849 1.00 0.00 H new ATOM 0 H5'' DA B 111 7.549 -0.082 -13.593 1.00 0.00 H new ATOM 0 H4' DA B 111 6.555 -0.737 -11.524 1.00 0.00 H new ATOM 0 H3' DA B 111 5.954 -2.076 -13.975 1.00 0.00 H new ATOM 0 H2' DA B 111 3.649 -2.174 -13.902 1.00 0.00 H new ATOM 0 H2'' DA B 111 3.805 -3.088 -12.416 1.00 0.00 H new ATOM 0 H1' DA B 111 3.144 -1.291 -11.148 1.00 0.00 H new ATOM 0 H8 DA B 111 3.298 0.246 -14.702 1.00 0.00 H new ATOM 0 H61 DA B 111 -2.662 1.556 -13.774 1.00 0.00 H new ATOM 0 H62 DA B 111 -1.303 1.688 -14.896 1.00 0.00 H new ATOM 0 H2 DA B 111 -1.105 -0.556 -10.128 1.00 0.00 H new ATOM 352 P DA B 112 6.062 -4.566 -12.537 1.00 0.00 P ATOM 353 OP1 DA B 112 7.200 -5.286 -11.922 1.00 0.00 O ATOM 354 OP2 DA B 112 5.818 -4.678 -13.993 1.00 0.00 O ATOM 355 O5' DA B 112 4.713 -4.994 -11.764 1.00 0.00 O ATOM 356 C5' DA B 112 4.623 -4.863 -10.345 1.00 0.00 C ATOM 357 C4' DA B 112 3.264 -5.323 -9.804 1.00 0.00 C ATOM 358 O4' DA B 112 2.228 -4.406 -10.253 1.00 0.00 O ATOM 359 C3' DA B 112 2.877 -6.720 -10.300 1.00 0.00 C ATOM 360 O3' DA B 112 2.424 -7.523 -9.196 1.00 0.00 O ATOM 361 C2' DA B 112 1.762 -6.509 -11.285 1.00 0.00 C ATOM 362 C1' DA B 112 1.228 -5.109 -11.033 1.00 0.00 C ATOM 363 N9 DA B 112 0.928 -4.407 -12.305 1.00 0.00 N ATOM 364 C8 DA B 112 1.703 -4.252 -13.422 1.00 0.00 C ATOM 365 N7 DA B 112 1.157 -3.568 -14.382 1.00 0.00 N ATOM 366 C5 DA B 112 -0.093 -3.243 -13.867 1.00 0.00 C ATOM 367 C6 DA B 112 -1.172 -2.524 -14.388 1.00 0.00 C ATOM 368 N6 DA B 112 -1.155 -1.958 -15.597 1.00 0.00 N ATOM 369 N1 DA B 112 -2.262 -2.396 -13.613 1.00 0.00 N ATOM 370 C2 DA B 112 -2.289 -2.941 -12.395 1.00 0.00 C ATOM 371 N3 DA B 112 -1.323 -3.638 -11.807 1.00 0.00 N ATOM 372 C4 DA B 112 -0.244 -3.751 -12.607 1.00 0.00 C ATOM 0 H5' DA B 112 4.789 -3.822 -10.067 1.00 0.00 H new ATOM 0 H5'' DA B 112 5.415 -5.448 -9.877 1.00 0.00 H new ATOM 0 H4' DA B 112 3.351 -5.344 -8.718 1.00 0.00 H new ATOM 0 H3' DA B 112 3.720 -7.238 -10.757 1.00 0.00 H new ATOM 0 H2' DA B 112 2.124 -6.609 -12.308 1.00 0.00 H new ATOM 0 H2'' DA B 112 0.978 -7.254 -11.150 1.00 0.00 H new ATOM 0 H1' DA B 112 0.285 -5.150 -10.488 1.00 0.00 H new ATOM 0 H8 DA B 112 2.697 -4.668 -13.500 1.00 0.00 H new ATOM 0 H61 DA B 112 -1.970 -1.443 -15.931 1.00 0.00 H new ATOM 0 H62 DA B 112 -0.327 -2.040 -16.187 1.00 0.00 H new ATOM 0 H2 DA B 112 -3.195 -2.800 -11.825 1.00 0.00 H new ATOM 384 P DC B 113 1.946 -9.050 -9.406 1.00 0.00 P ATOM 385 OP1 DC B 113 2.339 -9.822 -8.206 1.00 0.00 O ATOM 386 OP2 DC B 113 2.398 -9.495 -10.743 1.00 0.00 O ATOM 387 O5' DC B 113 0.331 -8.941 -9.431 1.00 0.00 O ATOM 388 C5' DC B 113 -0.373 -8.418 -8.293 1.00 0.00 C ATOM 389 C4' DC B 113 -1.901 -8.388 -8.493 1.00 0.00 C ATOM 390 O4' DC B 113 -2.277 -7.369 -9.451 1.00 0.00 O ATOM 391 C3' DC B 113 -2.457 -9.730 -8.990 1.00 0.00 C ATOM 392 O3' DC B 113 -3.458 -10.222 -8.090 1.00 0.00 O ATOM 393 C2' DC B 113 -3.088 -9.439 -10.330 1.00 0.00 C ATOM 394 C1' DC B 113 -3.112 -7.930 -10.492 1.00 0.00 C ATOM 395 N1 DC B 113 -2.621 -7.508 -11.829 1.00 0.00 N ATOM 396 C2 DC B 113 -3.466 -6.757 -12.643 1.00 0.00 C ATOM 397 O2 DC B 113 -4.625 -6.544 -12.296 1.00 0.00 O ATOM 398 N3 DC B 113 -2.976 -6.280 -13.818 1.00 0.00 N ATOM 399 C4 DC B 113 -1.712 -6.522 -14.185 1.00 0.00 C ATOM 400 N4 DC B 113 -1.269 -6.027 -15.340 1.00 0.00 N ATOM 401 C5 DC B 113 -0.840 -7.298 -13.354 1.00 0.00 C ATOM 402 C6 DC B 113 -1.346 -7.774 -12.196 1.00 0.00 C ATOM 0 H5' DC B 113 -0.019 -7.408 -8.086 1.00 0.00 H new ATOM 0 H5'' DC B 113 -0.138 -9.023 -7.418 1.00 0.00 H new ATOM 0 H4' DC B 113 -2.325 -8.170 -7.513 1.00 0.00 H new ATOM 0 H3' DC B 113 -1.672 -10.483 -9.057 1.00 0.00 H new ATOM 0 H2' DC B 113 -2.517 -9.904 -11.134 1.00 0.00 H new ATOM 0 H2'' DC B 113 -4.097 -9.848 -10.378 1.00 0.00 H new ATOM 0 H1' DC B 113 -4.138 -7.571 -10.410 1.00 0.00 H new ATOM 0 H41 DC B 113 -0.308 -6.202 -15.635 1.00 0.00 H new ATOM 0 H42 DC B 113 -1.891 -5.473 -15.929 1.00 0.00 H new ATOM 0 H5 DC B 113 0.182 -7.495 -13.643 1.00 0.00 H new ATOM 0 H6 DC B 113 -0.723 -8.377 -11.552 1.00 0.00 H new ATOM 414 P DA B 114 -4.213 -11.622 -8.373 1.00 0.00 P ATOM 415 OP1 DA B 114 -4.702 -12.149 -7.079 1.00 0.00 O ATOM 416 OP2 DA B 114 -3.335 -12.457 -9.221 1.00 0.00 O ATOM 417 O5' DA B 114 -5.499 -11.187 -9.256 1.00 0.00 O ATOM 418 C5' DA B 114 -6.480 -10.288 -8.721 1.00 0.00 C ATOM 419 C4' DA B 114 -7.626 -9.997 -9.711 1.00 0.00 C ATOM 420 O4' DA B 114 -7.166 -9.171 -10.815 1.00 0.00 O ATOM 421 C3' DA B 114 -8.220 -11.283 -10.300 1.00 0.00 C ATOM 422 O3' DA B 114 -9.636 -11.332 -10.076 1.00 0.00 O ATOM 423 C2' DA B 114 -7.941 -11.215 -11.783 1.00 0.00 C ATOM 424 C1' DA B 114 -7.460 -9.805 -12.085 1.00 0.00 C ATOM 425 N9 DA B 114 -6.271 -9.813 -12.957 1.00 0.00 N ATOM 426 C8 DA B 114 -5.081 -10.408 -12.733 1.00 0.00 C ATOM 427 N7 DA B 114 -4.164 -10.187 -13.625 1.00 0.00 N ATOM 428 C5 DA B 114 -4.813 -9.365 -14.542 1.00 0.00 C ATOM 429 C6 DA B 114 -4.398 -8.768 -15.736 1.00 0.00 C ATOM 430 N6 DA B 114 -3.160 -8.881 -16.215 1.00 0.00 N ATOM 431 N1 DA B 114 -5.296 -8.025 -16.402 1.00 0.00 N ATOM 432 C2 DA B 114 -6.530 -7.872 -15.923 1.00 0.00 C ATOM 433 N3 DA B 114 -7.027 -8.387 -14.796 1.00 0.00 N ATOM 434 C4 DA B 114 -6.103 -9.133 -14.149 1.00 0.00 C ATOM 0 H5' DA B 114 -5.996 -9.351 -8.447 1.00 0.00 H new ATOM 0 H5'' DA B 114 -6.895 -10.712 -7.807 1.00 0.00 H new ATOM 0 H4' DA B 114 -8.393 -9.474 -9.139 1.00 0.00 H new ATOM 0 H3' DA B 114 -7.786 -12.170 -9.839 1.00 0.00 H new ATOM 0 H2' DA B 114 -7.186 -11.948 -12.067 1.00 0.00 H new ATOM 0 H2'' DA B 114 -8.840 -11.446 -12.355 1.00 0.00 H new ATOM 0 H1' DA B 114 -8.231 -9.253 -12.623 1.00 0.00 H new ATOM 0 H8 DA B 114 -4.903 -11.028 -11.867 1.00 0.00 H new ATOM 0 H61 DA B 114 -2.909 -8.425 -17.092 1.00 0.00 H new ATOM 0 H62 DA B 114 -2.463 -9.424 -15.705 1.00 0.00 H new ATOM 0 H2 DA B 114 -7.202 -7.265 -16.511 1.00 0.00 H new ATOM 446 P DT B 115 -10.522 -12.580 -10.594 1.00 0.00 P ATOM 447 OP1 DT B 115 -11.739 -12.662 -9.756 1.00 0.00 O ATOM 448 OP2 DT B 115 -9.633 -13.757 -10.720 1.00 0.00 O ATOM 449 O5' DT B 115 -10.960 -12.115 -12.077 1.00 0.00 O ATOM 450 C5' DT B 115 -11.793 -10.964 -12.246 1.00 0.00 C ATOM 451 C4' DT B 115 -11.995 -10.585 -13.721 1.00 0.00 C ATOM 452 O4' DT B 115 -10.738 -10.164 -14.307 1.00 0.00 O ATOM 453 C3' DT B 115 -12.541 -11.746 -14.564 1.00 0.00 C ATOM 454 O3' DT B 115 -13.818 -11.409 -15.112 1.00 0.00 O ATOM 455 C2' DT B 115 -11.546 -11.936 -15.692 1.00 0.00 C ATOM 456 C1' DT B 115 -10.558 -10.776 -15.601 1.00 0.00 C ATOM 457 N1 DT B 115 -9.152 -11.238 -15.787 1.00 0.00 N ATOM 458 C2 DT B 115 -8.413 -10.708 -16.835 1.00 0.00 C ATOM 459 O2 DT B 115 -8.885 -9.884 -17.616 1.00 0.00 O ATOM 460 N3 DT B 115 -7.111 -11.159 -16.952 1.00 0.00 N ATOM 461 C4 DT B 115 -6.490 -12.079 -16.128 1.00 0.00 C ATOM 462 O4 DT B 115 -5.322 -12.407 -16.325 1.00 0.00 O ATOM 463 C5 DT B 115 -7.332 -12.579 -15.066 1.00 0.00 C ATOM 464 C7 DT B 115 -6.758 -13.611 -14.088 1.00 0.00 C ATOM 465 C6 DT B 115 -8.608 -12.150 -14.933 1.00 0.00 C ATOM 0 H5' DT B 115 -11.350 -10.120 -11.716 1.00 0.00 H new ATOM 0 H5'' DT B 115 -12.764 -11.154 -11.788 1.00 0.00 H new ATOM 0 H4' DT B 115 -12.725 -9.776 -13.729 1.00 0.00 H new ATOM 0 H3' DT B 115 -12.665 -12.647 -13.963 1.00 0.00 H new ATOM 0 H2' DT B 115 -11.031 -12.892 -15.598 1.00 0.00 H new ATOM 0 H2'' DT B 115 -12.051 -11.940 -16.658 1.00 0.00 H new ATOM 0 H1' DT B 115 -10.748 -10.056 -16.396 1.00 0.00 H new ATOM 0 H3 DT B 115 -6.557 -10.777 -17.718 1.00 0.00 H new ATOM 0 H71 DT B 115 -7.238 -13.497 -13.116 1.00 0.00 H new ATOM 0 H72 DT B 115 -6.943 -14.615 -14.469 1.00 0.00 H new ATOM 0 H73 DT B 115 -5.684 -13.455 -13.983 1.00 0.00 H new ATOM 0 H6 DT B 115 -9.212 -12.541 -14.128 1.00 0.00 H new ATOM 478 P DT B 116 -14.723 -12.523 -15.842 1.00 0.00 P ATOM 479 OP1 DT B 116 -16.119 -12.034 -15.877 1.00 0.00 O ATOM 480 OP2 DT B 116 -14.417 -13.840 -15.238 1.00 0.00 O ATOM 481 O5' DT B 116 -14.151 -12.511 -17.347 1.00 0.00 O ATOM 482 C5' DT B 116 -14.248 -11.327 -18.142 1.00 0.00 C ATOM 483 C4' DT B 116 -13.496 -11.465 -19.470 1.00 0.00 C ATOM 484 O4' DT B 116 -12.069 -11.517 -19.237 1.00 0.00 O ATOM 485 C3' DT B 116 -13.898 -12.732 -20.240 1.00 0.00 C ATOM 486 O3' DT B 116 -14.571 -12.394 -21.456 1.00 0.00 O ATOM 487 C2' DT B 116 -12.603 -13.458 -20.542 1.00 0.00 C ATOM 488 C1' DT B 116 -11.470 -12.590 -19.996 1.00 0.00 C ATOM 489 N1 DT B 116 -10.544 -13.386 -19.145 1.00 0.00 N ATOM 490 C2 DT B 116 -9.204 -13.437 -19.502 1.00 0.00 C ATOM 491 O2 DT B 116 -8.773 -12.868 -20.501 1.00 0.00 O ATOM 492 N3 DT B 116 -8.381 -14.167 -18.669 1.00 0.00 N ATOM 493 C4 DT B 116 -8.766 -14.847 -17.529 1.00 0.00 C ATOM 494 O4 DT B 116 -7.939 -15.461 -16.858 1.00 0.00 O ATOM 495 C5 DT B 116 -10.178 -14.744 -17.234 1.00 0.00 C ATOM 496 C7 DT B 116 -10.741 -15.484 -16.017 1.00 0.00 C ATOM 497 C6 DT B 116 -11.004 -14.028 -18.033 1.00 0.00 C ATOM 0 H5' DT B 116 -13.846 -10.481 -17.584 1.00 0.00 H new ATOM 0 H5'' DT B 116 -15.297 -11.108 -18.340 1.00 0.00 H new ATOM 0 H4' DT B 116 -13.761 -10.592 -20.066 1.00 0.00 H new ATOM 0 H3' DT B 116 -14.583 -13.349 -19.659 1.00 0.00 H new ATOM 0 H2' DT B 116 -12.594 -14.443 -20.075 1.00 0.00 H new ATOM 0 H2'' DT B 116 -12.488 -13.613 -21.615 1.00 0.00 H new ATOM 0 HO3' DT B 116 -14.817 -13.214 -21.933 1.00 0.00 H new ATOM 0 H1' DT B 116 -10.877 -12.190 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H1' DT C 121 -8.432 -2.129 -13.040 1.00 0.00 H new ATOM 0 H3 DT C 121 -4.130 -2.190 -14.093 1.00 0.00 H new ATOM 0 H71 DT C 121 -6.555 1.098 -17.597 1.00 0.00 H new ATOM 0 H72 DT C 121 -5.430 2.009 -16.562 1.00 0.00 H new ATOM 0 H73 DT C 121 -4.809 0.761 -17.668 1.00 0.00 H new ATOM 0 H6 DT C 121 -7.855 0.332 -15.768 1.00 0.00 H new ATOM 671 P DT C 122 -11.308 0.978 -11.167 1.00 0.00 P ATOM 672 OP1 DT C 122 -12.592 0.947 -10.436 1.00 0.00 O ATOM 673 OP2 DT C 122 -10.834 2.247 -11.762 1.00 0.00 O ATOM 674 O5' DT C 122 -10.155 0.433 -10.185 1.00 0.00 O ATOM 675 C5' DT C 122 -10.287 -0.847 -9.561 1.00 0.00 C ATOM 676 C4' DT C 122 -9.084 -1.168 -8.675 1.00 0.00 C ATOM 677 O4' DT C 122 -7.909 -1.405 -9.483 1.00 0.00 O ATOM 678 C3' DT C 122 -8.774 -0.015 -7.711 1.00 0.00 C ATOM 679 O3' DT C 122 -8.973 -0.429 -6.367 1.00 0.00 O ATOM 680 C2' DT C 122 -7.317 0.320 -7.929 1.00 0.00 C ATOM 681 C1' DT C 122 -6.785 -0.654 -8.978 1.00 0.00 C ATOM 682 N1 DT C 122 -6.094 0.079 -10.079 1.00 0.00 N ATOM 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ATOM 0 H73 DT C 122 -6.482 2.864 -13.594 1.00 0.00 H new ATOM 0 H6 DT C 122 -7.794 1.237 -10.600 1.00 0.00 H new ATOM 703 P DT C 123 -8.805 0.607 -5.150 1.00 0.00 P ATOM 704 OP1 DT C 123 -9.607 0.117 -4.007 1.00 0.00 O ATOM 705 OP2 DT C 123 -9.014 1.975 -5.669 1.00 0.00 O ATOM 706 O5' DT C 123 -7.250 0.447 -4.788 1.00 0.00 O ATOM 707 C5' DT C 123 -6.745 -0.820 -4.383 1.00 0.00 C ATOM 708 C4' DT C 123 -5.248 -0.764 -4.085 1.00 0.00 C ATOM 709 O4' DT C 123 -4.505 -0.435 -5.289 1.00 0.00 O ATOM 710 C3' DT C 123 -4.901 0.300 -3.039 1.00 0.00 C ATOM 711 O3' DT C 123 -4.106 -0.305 -2.019 1.00 0.00 O ATOM 712 C2' DT C 123 -4.139 1.368 -3.768 1.00 0.00 C ATOM 713 C1' DT C 123 -3.668 0.728 -5.059 1.00 0.00 C ATOM 714 N1 DT C 123 -3.717 1.675 -6.218 1.00 0.00 N ATOM 715 C2 DT C 123 -2.540 1.889 -6.931 1.00 0.00 C ATOM 716 O2 DT C 123 -1.482 1.347 -6.618 1.00 0.00 O ATOM 717 N3 DT C 123 -2.624 2.750 -8.010 1.00 0.00 N ATOM 718 C4 DT C 123 -3.759 3.412 -8.438 1.00 0.00 C ATOM 719 O4 DT C 123 -3.720 4.154 -9.417 1.00 0.00 O ATOM 720 C5 DT C 123 -4.938 3.139 -7.645 1.00 0.00 C ATOM 721 C7 DT C 123 -6.255 3.826 -8.022 1.00 0.00 C ATOM 722 C6 DT C 123 -4.887 2.297 -6.584 1.00 0.00 C ATOM 0 H5' DT C 123 -6.933 -1.554 -5.167 1.00 0.00 H new ATOM 0 H5'' DT C 123 -7.280 -1.158 -3.496 1.00 0.00 H new ATOM 0 H4' DT C 123 -4.978 -1.749 -3.705 1.00 0.00 H new ATOM 0 H3' DT C 123 -5.782 0.728 -2.561 1.00 0.00 H new ATOM 0 H2' DT C 123 -4.772 2.233 -3.968 1.00 0.00 H new ATOM 0 H2'' DT C 123 -3.295 1.721 -3.175 1.00 0.00 H new ATOM 0 H1' DT C 123 -2.621 0.440 -4.967 1.00 0.00 H new ATOM 0 H3 DT C 123 -1.768 2.912 -8.540 1.00 0.00 H new ATOM 0 H71 DT C 123 -6.043 4.793 -8.479 1.00 0.00 H new ATOM 0 H72 DT C 123 -6.801 3.202 -8.729 1.00 0.00 H new ATOM 0 H73 DT C 123 -6.858 3.972 -7.126 1.00 0.00 H new ATOM 0 H6 DT C 123 -5.785 2.111 -6.014 1.00 0.00 H new ATOM 735 P DA C 124 -3.493 0.522 -0.783 1.00 0.00 P ATOM 736 OP1 DA C 124 -3.605 -0.305 0.438 1.00 0.00 O ATOM 737 OP2 DA C 124 -4.069 1.887 -0.810 1.00 0.00 O ATOM 738 O5' DA C 124 -1.932 0.624 -1.188 1.00 0.00 O ATOM 739 C5' DA C 124 -1.222 -0.607 -1.353 1.00 0.00 C ATOM 740 C4' DA C 124 0.262 -0.453 -1.734 1.00 0.00 C ATOM 741 O4' DA C 124 0.388 0.271 -2.985 1.00 0.00 O ATOM 742 C3' DA C 124 1.033 0.329 -0.666 1.00 0.00 C ATOM 743 O3' DA C 124 2.320 -0.257 -0.435 1.00 0.00 O ATOM 744 C2' DA C 124 1.216 1.706 -1.253 1.00 0.00 C ATOM 745 C1' DA C 124 0.967 1.577 -2.750 1.00 0.00 C ATOM 746 N9 DA C 124 0.081 2.641 -3.242 1.00 0.00 N ATOM 747 C8 DA C 124 -1.130 2.996 -2.771 1.00 0.00 C ATOM 748 N7 DA C 124 -1.718 3.963 -3.409 1.00 0.00 N ATOM 749 C5 DA C 124 -0.801 4.278 -4.408 1.00 0.00 C ATOM 750 C6 DA C 124 -0.810 5.225 -5.436 1.00 0.00 C ATOM 751 N6 DA C 124 -1.817 6.077 -5.632 1.00 0.00 N ATOM 752 N1 DA C 124 0.262 5.271 -6.247 1.00 0.00 N ATOM 753 C2 DA C 124 1.283 4.433 -6.056 1.00 0.00 C ATOM 754 N3 DA C 124 1.391 3.499 -5.112 1.00 0.00 N ATOM 755 C4 DA C 124 0.302 3.477 -4.316 1.00 0.00 C ATOM 0 H5' DA C 124 -1.720 -1.197 -2.122 1.00 0.00 H new ATOM 0 H5'' DA C 124 -1.287 -1.174 -0.425 1.00 0.00 H new ATOM 0 H4' DA C 124 0.675 -1.458 -1.825 1.00 0.00 H new ATOM 0 H3' DA C 124 0.502 0.336 0.286 1.00 0.00 H new ATOM 0 H2' DA C 124 0.520 2.414 -0.804 1.00 0.00 H new ATOM 0 H2'' DA C 124 2.221 2.080 -1.058 1.00 0.00 H new ATOM 0 H1' DA C 124 1.906 1.681 -3.293 1.00 0.00 H new ATOM 0 H8 DA C 124 -1.582 2.509 -1.920 1.00 0.00 H new ATOM 0 H61 DA C 124 -1.774 6.749 -6.398 1.00 0.00 H new ATOM 0 H62 DA C 124 -2.630 6.056 -5.016 1.00 0.00 H new ATOM 0 H2 DA C 124 2.113 4.522 -6.742 1.00 0.00 H new ATOM 767 P DT C 125 3.329 0.379 0.656 1.00 0.00 P ATOM 768 OP1 DT C 125 4.250 -0.691 1.100 1.00 0.00 O ATOM 769 OP2 DT C 125 2.523 1.116 1.654 1.00 0.00 O ATOM 770 O5' DT C 125 4.180 1.447 -0.205 1.00 0.00 O ATOM 771 C5' DT C 125 4.964 1.006 -1.312 1.00 0.00 C ATOM 772 C4' DT C 125 5.633 2.163 -2.071 1.00 0.00 C ATOM 773 O4' DT C 125 4.643 2.946 -2.795 1.00 0.00 O ATOM 774 C3' DT C 125 6.392 3.140 -1.155 1.00 0.00 C ATOM 775 O3' DT C 125 7.759 3.249 -1.581 1.00 0.00 O ATOM 776 C2' DT C 125 5.695 4.463 -1.308 1.00 0.00 C ATOM 777 C1' DT C 125 4.917 4.353 -2.602 1.00 0.00 C ATOM 778 N1 DT C 125 3.679 5.189 -2.587 1.00 0.00 N ATOM 779 C2 DT C 125 3.553 6.185 -3.552 1.00 0.00 C ATOM 780 O2 DT C 125 4.406 6.363 -4.419 1.00 0.00 O ATOM 781 N3 DT C 125 2.412 6.962 -3.483 1.00 0.00 N ATOM 782 C4 DT C 125 1.402 6.839 -2.549 1.00 0.00 C ATOM 783 O4 DT C 125 0.444 7.607 -2.541 1.00 0.00 O ATOM 784 C5 DT C 125 1.613 5.784 -1.597 1.00 0.00 C ATOM 785 C7 DT C 125 0.581 5.557 -0.507 1.00 0.00 C ATOM 786 C6 DT C 125 2.711 5.006 -1.639 1.00 0.00 C ATOM 0 H5' DT C 125 4.330 0.446 -1.999 1.00 0.00 H new ATOM 0 H5'' DT C 125 5.732 0.320 -0.956 1.00 0.00 H new ATOM 0 H4' DT C 125 6.343 1.684 -2.745 1.00 0.00 H new ATOM 0 H3' DT C 125 6.397 2.805 -0.118 1.00 0.00 H new ATOM 0 H2' DT C 125 5.032 4.659 -0.465 1.00 0.00 H new ATOM 0 H2'' DT C 125 6.411 5.284 -1.348 1.00 0.00 H new ATOM 0 H1' DT C 125 5.495 4.743 -3.440 1.00 0.00 H new ATOM 0 H3 DT C 125 2.306 7.693 -4.186 1.00 0.00 H new ATOM 0 H71 DT C 125 0.100 6.503 -0.259 1.00 0.00 H new ATOM 0 H72 DT C 125 -0.170 4.849 -0.858 1.00 0.00 H new ATOM 0 H73 DT C 125 1.071 5.156 0.380 1.00 0.00 H new ATOM 0 H6 DT C 125 2.830 4.220 -0.908 1.00 0.00 H new ATOM 799 P DC C 126 8.799 4.215 -0.817 1.00 0.00 P ATOM 800 OP1 DC C 126 10.134 3.577 -0.848 1.00 0.00 O ATOM 801 OP2 DC C 126 8.200 4.608 0.478 1.00 0.00 O ATOM 802 O5' DC C 126 8.836 5.525 -1.776 1.00 0.00 O ATOM 803 C5' DC C 126 9.259 5.389 -3.144 1.00 0.00 C ATOM 804 C4' DC C 126 9.125 6.688 -3.968 1.00 0.00 C ATOM 805 O4' DC C 126 7.737 6.989 -4.242 1.00 0.00 O ATOM 806 C3' DC C 126 9.756 7.897 -3.260 1.00 0.00 C ATOM 807 O3' DC C 126 10.927 8.348 -3.950 1.00 0.00 O ATOM 808 C2' DC C 126 8.694 8.977 -3.299 1.00 0.00 C ATOM 809 C1' DC C 126 7.455 8.374 -3.955 1.00 0.00 C ATOM 810 N1 DC C 126 6.283 8.479 -3.050 1.00 0.00 N ATOM 811 C2 DC C 126 5.164 9.178 -3.488 1.00 0.00 C ATOM 812 O2 DC C 126 5.174 9.735 -4.584 1.00 0.00 O ATOM 813 N3 DC C 126 4.077 9.231 -2.673 1.00 0.00 N ATOM 814 C4 DC C 126 4.083 8.624 -1.480 1.00 0.00 C ATOM 815 N4 DC C 126 3.007 8.706 -0.704 1.00 0.00 N ATOM 816 C5 DC C 126 5.230 7.906 -1.025 1.00 0.00 C ATOM 817 C6 DC C 126 6.302 7.864 -1.838 1.00 0.00 C ATOM 0 H5' DC C 126 8.671 4.605 -3.621 1.00 0.00 H new ATOM 0 H5'' DC C 126 10.299 5.063 -3.163 1.00 0.00 H new ATOM 0 H4' DC C 126 9.660 6.510 -4.901 1.00 0.00 H new ATOM 0 H3' DC C 126 10.064 7.645 -2.245 1.00 0.00 H new ATOM 0 H2' DC C 126 8.464 9.326 -2.292 1.00 0.00 H new ATOM 0 H2'' DC C 126 9.045 9.841 -3.863 1.00 0.00 H new ATOM 0 H1' DC C 126 7.217 8.913 -4.872 1.00 0.00 H new ATOM 0 H41 DC C 126 2.999 8.248 0.207 1.00 0.00 H new ATOM 0 H42 DC C 126 2.189 9.227 -1.020 1.00 0.00 H new ATOM 0 H5 DC C 126 5.237 7.414 -0.063 1.00 0.00 H new ATOM 0 H6 DC C 126 7.189 7.335 -1.523 1.00 0.00 H new ATOM 829 P DT C 127 11.908 9.440 -3.275 1.00 0.00 P ATOM 830 OP1 DT C 127 13.218 9.364 -3.961 1.00 0.00 O ATOM 831 OP2 DT C 127 11.839 9.278 -1.806 1.00 0.00 O ATOM 832 O5' DT C 127 11.226 10.851 -3.655 1.00 0.00 O ATOM 833 C5' DT C 127 11.075 11.250 -5.017 1.00 0.00 C ATOM 834 C4' DT C 127 10.303 12.569 -5.140 1.00 0.00 C ATOM 835 O4' DT C 127 8.915 12.359 -4.784 1.00 0.00 O ATOM 836 C3' DT C 127 10.866 13.666 -4.220 1.00 0.00 C ATOM 837 O3' DT C 127 11.311 14.784 -4.991 1.00 0.00 O ATOM 838 C2' DT C 127 9.709 14.095 -3.344 1.00 0.00 C ATOM 839 C1' DT C 127 8.467 13.388 -3.878 1.00 0.00 C ATOM 840 N1 DT C 127 7.645 12.816 -2.766 1.00 0.00 N ATOM 841 C2 DT C 127 6.326 13.240 -2.648 1.00 0.00 C ATOM 842 O2 DT C 127 5.834 14.057 -3.422 1.00 0.00 O ATOM 843 N3 DT C 127 5.596 12.687 -1.613 1.00 0.00 N ATOM 844 C4 DT C 127 6.053 11.761 -0.695 1.00 0.00 C ATOM 845 O4 DT C 127 5.311 11.336 0.187 1.00 0.00 O ATOM 846 C5 DT C 127 7.433 11.372 -0.885 1.00 0.00 C ATOM 847 C7 DT C 127 8.048 10.343 0.073 1.00 0.00 C ATOM 848 C6 DT C 127 8.174 11.898 -1.893 1.00 0.00 C ATOM 0 H5' DT C 127 10.552 10.469 -5.569 1.00 0.00 H new ATOM 0 H5'' DT C 127 12.058 11.360 -5.475 1.00 0.00 H new ATOM 0 H4' DT C 127 10.403 12.896 -6.175 1.00 0.00 H new ATOM 0 H3' DT C 127 11.714 13.301 -3.641 1.00 0.00 H new ATOM 0 H2' DT C 127 9.891 13.825 -2.304 1.00 0.00 H new ATOM 0 H2'' DT C 127 9.581 15.177 -3.375 1.00 0.00 H new ATOM 0 H1' DT C 127 7.823 14.096 -4.399 1.00 0.00 H new ATOM 0 H3 DT C 127 4.627 12.992 -1.518 1.00 0.00 H new ATOM 0 H71 DT C 127 8.817 9.773 -0.449 1.00 0.00 H new ATOM 0 H72 DT C 127 8.494 10.859 0.924 1.00 0.00 H new ATOM 0 H73 DT C 127 7.271 9.665 0.426 1.00 0.00 H new ATOM 0 H6 DT C 127 9.202 11.588 -2.011 1.00 0.00 H new ATOM 861 P DG C 128 11.960 16.078 -4.280 1.00 0.00 P ATOM 862 OP1 DG C 128 12.826 16.762 -5.268 1.00 0.00 O ATOM 863 OP2 DG C 128 12.521 15.658 -2.975 1.00 0.00 O ATOM 864 O5' DG C 128 10.675 17.012 -4.004 1.00 0.00 O ATOM 865 C5' DG C 128 9.872 17.458 -5.096 1.00 0.00 C ATOM 866 C4' DG C 128 8.694 18.333 -4.650 1.00 0.00 C ATOM 867 O4' DG C 128 7.709 17.530 -3.964 1.00 0.00 O ATOM 868 C3' DG C 128 9.121 19.470 -3.711 1.00 0.00 C ATOM 869 O3' DG C 128 8.803 20.722 -4.319 1.00 0.00 O ATOM 870 C2' DG C 128 8.316 19.279 -2.441 1.00 0.00 C ATOM 871 C1' DG C 128 7.373 18.107 -2.685 1.00 0.00 C ATOM 872 N9 DG C 128 7.496 17.108 -1.613 1.00 0.00 N ATOM 873 C8 DG C 128 8.602 16.441 -1.208 1.00 0.00 C ATOM 874 N7 DG C 128 8.420 15.596 -0.236 1.00 0.00 N ATOM 875 C5 DG C 128 7.058 15.717 0.034 1.00 0.00 C ATOM 876 C6 DG C 128 6.257 15.048 0.998 1.00 0.00 C ATOM 877 O6 DG C 128 6.600 14.196 1.816 1.00 0.00 O ATOM 878 N1 DG C 128 4.935 15.466 0.937 1.00 0.00 N ATOM 879 C2 DG C 128 4.439 16.409 0.061 1.00 0.00 C ATOM 880 N2 DG C 128 3.139 16.683 0.162 1.00 0.00 N ATOM 881 N3 DG C 128 5.189 17.039 -0.849 1.00 0.00 N ATOM 882 C4 DG C 128 6.483 16.645 -0.806 1.00 0.00 C ATOM 0 H5' DG C 128 9.491 16.592 -5.638 1.00 0.00 H new ATOM 0 H5'' DG C 128 10.494 18.021 -5.792 1.00 0.00 H new ATOM 0 H4' DG C 128 8.279 18.773 -5.557 1.00 0.00 H new ATOM 0 H3' DG C 128 10.191 19.459 -3.504 1.00 0.00 H new ATOM 0 H2' DG C 128 8.972 19.076 -1.595 1.00 0.00 H new ATOM 0 H2'' DG C 128 7.755 20.182 -2.200 1.00 0.00 H new ATOM 0 H1' DG C 128 6.338 18.450 -2.688 1.00 0.00 H new ATOM 0 H8 DG C 128 9.570 16.600 -1.661 1.00 0.00 H new ATOM 0 H1 DG C 128 4.278 15.042 1.592 1.00 0.00 H new ATOM 0 H21 DG C 128 2.713 17.372 -0.458 1.00 0.00 H new ATOM 0 H22 DG C 128 2.570 16.204 0.860 1.00 0.00 H new ATOM 894 P DC C 129 9.320 22.125 -3.722 1.00 0.00 P ATOM 895 OP1 DC C 129 9.360 23.106 -4.829 1.00 0.00 O ATOM 896 OP2 DC C 129 10.542 21.864 -2.928 1.00 0.00 O ATOM 897 O5' DC C 129 8.151 22.568 -2.707 1.00 0.00 O ATOM 898 C5' DC C 129 6.821 22.773 -3.190 1.00 0.00 C ATOM 899 C4' DC C 129 5.866 23.218 -2.077 1.00 0.00 C ATOM 900 O4' DC C 129 5.636 22.152 -1.125 1.00 0.00 O ATOM 901 C3' DC C 129 6.429 24.419 -1.311 1.00 0.00 C ATOM 902 O3' DC C 129 5.492 25.500 -1.350 1.00 0.00 O ATOM 903 C2' DC C 129 6.635 23.946 0.106 1.00 0.00 C ATOM 904 C1' DC C 129 5.991 22.575 0.214 1.00 0.00 C ATOM 905 N1 DC C 129 6.905 21.577 0.844 1.00 0.00 N ATOM 906 C2 DC C 129 6.480 20.939 2.012 1.00 0.00 C ATOM 907 O2 DC C 129 5.408 21.252 2.531 1.00 0.00 O ATOM 908 N3 DC C 129 7.275 19.978 2.554 1.00 0.00 N ATOM 909 C4 DC C 129 8.441 19.649 1.987 1.00 0.00 C ATOM 910 N4 DC C 129 9.183 18.686 2.535 1.00 0.00 N ATOM 911 C5 DC C 129 8.891 20.301 0.795 1.00 0.00 C ATOM 912 C6 DC C 129 8.098 21.254 0.259 1.00 0.00 C ATOM 0 H5' DC C 129 6.452 21.850 -3.637 1.00 0.00 H new ATOM 0 H5'' DC C 129 6.834 23.526 -3.978 1.00 0.00 H new ATOM 0 H4' DC C 129 4.929 23.491 -2.563 1.00 0.00 H new ATOM 0 H3' DC C 129 7.362 24.780 -1.745 1.00 0.00 H new ATOM 0 H2' DC C 129 7.697 23.893 0.344 1.00 0.00 H new ATOM 0 H2'' DC C 129 6.184 24.641 0.814 1.00 0.00 H new ATOM 0 H1' DC C 129 5.110 22.639 0.853 1.00 0.00 H new ATOM 0 H41 DC C 129 10.074 18.426 2.112 1.00 0.00 H new ATOM 0 H42 DC C 129 8.859 18.210 3.377 1.00 0.00 H new ATOM 0 H5 DC C 129 9.834 20.039 0.339 1.00 0.00 H new ATOM 0 H6 DC C 129 8.409 21.766 -0.640 1.00 0.00 H new ATOM 924 P DA C 130 5.809 26.901 -0.626 1.00 0.00 P ATOM 925 OP1 DA C 130 5.014 27.954 -1.296 1.00 0.00 O ATOM 926 OP2 DA C 130 7.278 27.044 -0.521 1.00 0.00 O ATOM 927 O5' DA C 130 5.216 26.693 0.858 1.00 0.00 O ATOM 928 C5' DA C 130 3.826 26.410 1.050 1.00 0.00 C ATOM 929 C4' DA C 130 3.472 26.248 2.533 1.00 0.00 C ATOM 930 O4' DA C 130 4.042 25.022 3.066 1.00 0.00 O ATOM 931 C3' DA C 130 4.011 27.420 3.367 1.00 0.00 C ATOM 932 O3' DA C 130 2.979 27.987 4.182 1.00 0.00 O ATOM 933 C2' DA C 130 5.083 26.824 4.246 1.00 0.00 C ATOM 934 C1' DA C 130 4.904 25.316 4.189 1.00 0.00 C ATOM 935 N9 DA C 130 6.197 24.615 4.082 1.00 0.00 N ATOM 936 C8 DA C 130 7.206 24.827 3.205 1.00 0.00 C ATOM 937 N7 DA C 130 8.234 24.045 3.335 1.00 0.00 N ATOM 938 C5 DA C 130 7.871 23.231 4.406 1.00 0.00 C ATOM 939 C6 DA C 130 8.522 22.180 5.059 1.00 0.00 C ATOM 940 N6 DA C 130 9.733 21.748 4.710 1.00 0.00 N ATOM 941 N1 DA C 130 7.878 21.594 6.083 1.00 0.00 N ATOM 942 C2 DA C 130 6.665 22.016 6.444 1.00 0.00 C ATOM 943 N3 DA C 130 5.960 23.001 5.890 1.00 0.00 N ATOM 944 C4 DA C 130 6.631 23.569 4.867 1.00 0.00 C ATOM 0 H5' DA C 130 3.564 25.498 0.513 1.00 0.00 H new ATOM 0 H5'' DA C 130 3.230 27.215 0.621 1.00 0.00 H new ATOM 0 H4' DA C 130 2.384 26.220 2.597 1.00 0.00 H new ATOM 0 H3' DA C 130 4.389 28.219 2.729 1.00 0.00 H new ATOM 0 H2' DA C 130 6.075 27.110 3.895 1.00 0.00 H new ATOM 0 H2'' DA C 130 4.990 27.187 5.270 1.00 0.00 H new ATOM 0 H1' DA C 130 4.450 24.959 5.113 1.00 0.00 H new ATOM 0 H8 DA C 130 7.159 25.595 2.448 1.00 0.00 H new ATOM 0 H61 DA C 130 10.166 20.977 5.219 1.00 0.00 H new ATOM 0 H62 DA C 130 10.228 22.188 3.934 1.00 0.00 H new ATOM 0 H2 DA C 130 6.205 21.503 7.276 1.00 0.00 H new ATOM 956 P DA C 131 3.307 29.235 5.149 1.00 0.00 P ATOM 957 OP1 DA C 131 2.088 30.065 5.268 1.00 0.00 O ATOM 958 OP2 DA C 131 4.575 29.848 4.695 1.00 0.00 O ATOM 959 O5' DA C 131 3.575 28.522 6.572 1.00 0.00 O ATOM 960 C5' DA C 131 2.533 27.774 7.209 1.00 0.00 C ATOM 961 C4' DA C 131 2.980 27.173 8.551 1.00 0.00 C ATOM 962 O4' DA C 131 3.923 26.093 8.342 1.00 0.00 O ATOM 963 C3' DA C 131 3.646 28.219 9.455 1.00 0.00 C ATOM 964 O3' DA C 131 2.931 28.364 10.684 1.00 0.00 O ATOM 965 C2' DA C 131 5.025 27.680 9.751 1.00 0.00 C ATOM 966 C1' DA C 131 5.098 26.279 9.164 1.00 0.00 C ATOM 967 N9 DA C 131 6.328 26.093 8.378 1.00 0.00 N ATOM 968 C8 DA C 131 6.780 26.827 7.338 1.00 0.00 C ATOM 969 N7 DA C 131 7.903 26.430 6.819 1.00 0.00 N ATOM 970 C5 DA C 131 8.230 25.321 7.597 1.00 0.00 C ATOM 971 C6 DA C 131 9.309 24.429 7.574 1.00 0.00 C ATOM 972 N6 DA C 131 10.311 24.520 6.699 1.00 0.00 N ATOM 973 N1 DA C 131 9.320 23.444 8.492 1.00 0.00 N ATOM 974 C2 DA C 131 8.325 23.342 9.376 1.00 0.00 C ATOM 975 N3 DA C 131 7.258 24.130 9.480 1.00 0.00 N ATOM 976 C4 DA C 131 7.277 25.107 8.552 1.00 0.00 C ATOM 0 H5' DA C 131 2.207 26.973 6.546 1.00 0.00 H new ATOM 0 H5'' DA C 131 1.672 28.422 7.373 1.00 0.00 H new ATOM 0 H4' DA C 131 2.078 26.801 9.038 1.00 0.00 H new ATOM 0 H3' DA C 131 3.668 29.194 8.969 1.00 0.00 H new ATOM 0 H2' DA C 131 5.790 28.321 9.313 1.00 0.00 H new ATOM 0 H2'' DA C 131 5.206 27.656 10.826 1.00 0.00 H new ATOM 0 H1' DA C 131 5.126 25.537 9.962 1.00 0.00 H new ATOM 0 H8 DA C 131 6.244 27.686 6.963 1.00 0.00 H new ATOM 0 H61 DA C 131 11.074 23.844 6.725 1.00 0.00 H new ATOM 0 H62 DA C 131 10.314 25.266 6.003 1.00 0.00 H new ATOM 0 H2 DA C 131 8.394 22.530 10.085 1.00 0.00 H new ATOM 988 P DC C 132 3.420 29.438 11.783 1.00 0.00 P ATOM 989 OP1 DC C 132 2.255 29.804 12.620 1.00 0.00 O ATOM 990 OP2 DC C 132 4.187 30.495 11.086 1.00 0.00 O ATOM 991 O5' DC C 132 4.447 28.591 12.696 1.00 0.00 O ATOM 992 C5' DC C 132 3.998 27.434 13.407 1.00 0.00 C ATOM 993 C4' DC C 132 5.144 26.708 14.126 1.00 0.00 C ATOM 994 O4' DC C 132 6.017 26.052 13.176 1.00 0.00 O ATOM 995 C3' DC C 132 6.003 27.661 14.969 1.00 0.00 C ATOM 996 O3' DC C 132 5.785 27.436 16.364 1.00 0.00 O ATOM 997 C2' DC C 132 7.439 27.335 14.609 1.00 0.00 C ATOM 998 C1' DC C 132 7.398 26.241 13.556 1.00 0.00 C ATOM 999 N1 DC C 132 8.242 26.607 12.386 1.00 0.00 N ATOM 1000 C2 DC C 132 9.382 25.852 12.124 1.00 0.00 C ATOM 1001 O2 DC C 132 9.651 24.879 12.825 1.00 0.00 O ATOM 1002 N3 DC C 132 10.174 26.221 11.082 1.00 0.00 N ATOM 1003 C4 DC C 132 9.862 27.279 10.321 1.00 0.00 C ATOM 1004 N4 DC C 132 10.665 27.613 9.309 1.00 0.00 N ATOM 1005 C5 DC C 132 8.690 28.052 10.583 1.00 0.00 C ATOM 1006 C6 DC C 132 7.917 27.680 11.621 1.00 0.00 C ATOM 0 H5' DC C 132 3.516 26.747 12.711 1.00 0.00 H new ATOM 0 H5'' DC C 132 3.244 27.729 14.137 1.00 0.00 H new ATOM 0 H4' DC C 132 4.670 25.978 14.782 1.00 0.00 H new ATOM 0 H3' DC C 132 5.756 28.704 14.770 1.00 0.00 H new ATOM 0 H2' DC C 132 7.950 28.218 14.227 1.00 0.00 H new ATOM 0 H2'' DC C 132 7.991 27.003 15.488 1.00 0.00 H new ATOM 0 HO3' DC C 132 6.342 28.051 16.886 1.00 0.00 H new ATOM 0 H1' DC C 132 7.801 25.309 13.953 1.00 0.00 H new ATOM 0 H41 DC C 132 10.439 28.416 8.722 1.00 0.00 H new ATOM 0 H42 DC C 132 11.505 27.065 9.122 1.00 0.00 H new ATOM 0 H5 DC C 132 8.433 28.904 9.971 1.00 0.00 H new ATOM 0 H6 DC C 132 7.025 28.244 11.848 1.00 0.00 H new TER 1019 DC C 132 ATOM 1020 N LYS A 1 -5.165 13.929 12.210 1.00 0.00 N ATOM 1021 CA LYS A 1 -6.264 13.387 13.060 1.00 0.00 C ATOM 1022 C LYS A 1 -6.547 11.948 12.640 1.00 0.00 C ATOM 1023 O LYS A 1 -7.658 11.583 12.323 1.00 0.00 O ATOM 1024 CB LYS A 1 -7.521 14.239 12.888 1.00 0.00 C ATOM 1025 CG LYS A 1 -7.256 15.653 13.409 1.00 0.00 C ATOM 1026 CD LYS A 1 -8.516 16.505 13.237 1.00 0.00 C ATOM 1027 CE LYS A 1 -8.249 17.919 13.756 1.00 0.00 C ATOM 1028 NZ LYS A 1 -7.047 18.484 13.080 1.00 0.00 N ATOM 0 H1 LYS A 1 -4.446 14.375 12.815 1.00 0.00 H new ATOM 0 H2 LYS A 1 -4.730 13.154 11.669 1.00 0.00 H new ATOM 0 H3 LYS A 1 -5.551 14.636 11.552 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.967 13.411 14.109 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.807 14.275 11.837 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -8.354 13.791 13.430 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.969 15.617 14.460 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.424 16.102 12.867 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.804 16.540 12.186 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.348 16.057 13.781 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.115 18.554 13.570 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.095 17.898 14.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.075 19.522 13.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.188 18.136 13.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.038 18.188 12.083 1.00 0.00 H new ATOM 1044 N ARG A 2 -5.532 11.136 12.664 1.00 0.00 N ATOM 1045 CA ARG A 2 -5.675 9.700 12.297 1.00 0.00 C ATOM 1046 C ARG A 2 -6.511 8.983 13.367 1.00 0.00 C ATOM 1047 O ARG A 2 -7.322 8.129 13.071 1.00 0.00 O ATOM 1048 CB ARG A 2 -4.263 9.098 12.205 1.00 0.00 C ATOM 1049 CG ARG A 2 -4.289 7.580 11.970 1.00 0.00 C ATOM 1050 CD ARG A 2 -4.740 7.268 10.544 1.00 0.00 C ATOM 1051 NE ARG A 2 -4.741 5.783 10.343 1.00 0.00 N ATOM 1052 CZ ARG A 2 -3.649 5.079 10.456 1.00 0.00 C ATOM 1053 NH1 ARG A 2 -2.491 5.672 10.568 1.00 0.00 N ATOM 1054 NH2 ARG A 2 -3.708 3.777 10.413 1.00 0.00 N ATOM 0 H ARG A 2 -4.586 11.412 12.929 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.184 9.585 11.340 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.718 9.579 11.393 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.719 9.311 13.125 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.298 7.162 12.144 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.964 7.107 12.683 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.737 7.672 10.368 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.072 7.744 9.826 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.616 5.312 10.113 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -2.437 6.691 10.567 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.640 5.117 10.656 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.607 3.311 10.291 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.855 3.225 10.501 1.00 0.00 H new ATOM 1068 N ALA A 3 -6.296 9.314 14.608 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.048 8.651 15.714 1.00 0.00 C ATOM 1070 C ALA A 3 -8.559 8.647 15.431 1.00 0.00 C ATOM 1071 O ALA A 3 -9.190 9.682 15.358 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.793 9.425 17.010 1.00 0.00 C ATOM 0 H ALA A 3 -5.626 10.022 14.909 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.707 7.619 15.799 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.336 8.953 17.829 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.726 9.421 17.232 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.135 10.453 16.893 1.00 0.00 H new ATOM 1078 N GLY A 4 -9.148 7.483 15.320 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.628 7.399 15.097 1.00 0.00 C ATOM 1080 C GLY A 4 -10.993 7.551 13.611 1.00 0.00 C ATOM 1081 O GLY A 4 -12.122 7.318 13.225 1.00 0.00 O ATOM 0 H GLY A 4 -8.669 6.584 15.374 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.997 6.442 15.465 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.127 8.177 15.675 1.00 0.00 H new ATOM 1085 N THR A 5 -10.076 7.953 12.775 1.00 0.00 N ATOM 1086 CA THR A 5 -10.426 8.124 11.330 1.00 0.00 C ATOM 1087 C THR A 5 -10.804 6.773 10.719 1.00 0.00 C ATOM 1088 O THR A 5 -9.982 5.884 10.615 1.00 0.00 O ATOM 1089 CB THR A 5 -9.223 8.691 10.574 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.626 9.717 11.348 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.672 9.265 9.220 1.00 0.00 C ATOM 0 H THR A 5 -9.110 8.169 13.022 1.00 0.00 H new ATOM 0 HA THR A 5 -11.271 8.808 11.251 1.00 0.00 H new ATOM 0 HB THR A 5 -8.501 7.893 10.399 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.509 10.518 10.795 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.808 9.666 8.690 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.129 8.475 8.624 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.398 10.061 9.385 1.00 0.00 H new ATOM 1099 N VAL A 6 -12.032 6.626 10.280 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.475 5.349 9.627 1.00 0.00 C ATOM 1101 C VAL A 6 -12.975 5.697 8.228 1.00 0.00 C ATOM 1102 O VAL A 6 -13.581 6.731 8.025 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.596 4.688 10.435 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -13.058 4.262 11.803 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.755 5.669 10.619 1.00 0.00 C ATOM 0 H VAL A 6 -12.755 7.343 10.346 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.644 4.645 9.577 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.956 3.811 9.898 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.856 3.792 12.377 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.242 3.553 11.668 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.693 5.138 12.339 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.548 5.191 11.194 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.403 6.553 11.151 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.141 5.963 9.643 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.720 4.873 7.252 1.00 0.00 N ATOM 1116 CA CYS A 7 -13.180 5.208 5.878 1.00 0.00 C ATOM 1117 C CYS A 7 -14.694 5.340 5.834 1.00 0.00 C ATOM 1118 O CYS A 7 -15.426 4.397 6.057 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.757 4.116 4.906 1.00 0.00 C ATOM 1120 SG CYS A 7 -13.019 4.698 3.216 1.00 0.00 S ATOM 0 H CYS A 7 -12.218 3.990 7.345 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.727 6.158 5.594 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.708 3.862 5.058 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.334 3.209 5.085 1.00 0.00 H new ATOM 1125 N SER A 8 -15.159 6.509 5.525 1.00 0.00 N ATOM 1126 CA SER A 8 -16.617 6.733 5.436 1.00 0.00 C ATOM 1127 C SER A 8 -17.215 5.813 4.371 1.00 0.00 C ATOM 1128 O SER A 8 -18.302 5.294 4.529 1.00 0.00 O ATOM 1129 CB SER A 8 -16.871 8.187 5.042 1.00 0.00 C ATOM 1130 OG SER A 8 -16.311 9.044 6.028 1.00 0.00 O ATOM 0 H SER A 8 -14.584 7.328 5.328 1.00 0.00 H new ATOM 0 HA SER A 8 -17.080 6.519 6.400 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.428 8.395 4.068 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.942 8.370 4.950 1.00 0.00 H new ATOM 0 HG SER A 8 -15.333 9.010 5.973 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.535 5.636 3.260 1.00 0.00 N ATOM 1137 CA ASN A 9 -17.111 4.782 2.184 1.00 0.00 C ATOM 1138 C ASN A 9 -16.937 3.280 2.464 1.00 0.00 C ATOM 1139 O ASN A 9 -17.823 2.516 2.129 1.00 0.00 O ATOM 1140 CB ASN A 9 -16.430 5.125 0.851 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.935 6.477 0.330 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -16.474 6.955 -0.688 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -17.864 7.119 0.986 1.00 0.00 N ATOM 0 H ASN A 9 -15.621 6.041 3.059 1.00 0.00 H new ATOM 0 HA ASN A 9 -18.181 4.986 2.143 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.349 5.160 0.985 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.636 4.345 0.118 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -18.201 8.019 0.644 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -18.253 6.720 1.841 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.819 2.808 3.024 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.679 1.311 3.231 1.00 0.00 C ATOM 1152 C CYS A 10 -15.270 0.919 4.668 1.00 0.00 C ATOM 1153 O CYS A 10 -15.073 -0.246 4.949 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.677 0.731 2.223 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.975 1.049 2.756 1.00 0.00 S ATOM 0 H CYS A 10 -15.029 3.374 3.334 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.669 0.885 3.066 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.837 -0.342 2.121 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.844 1.173 1.241 1.00 0.00 H new ATOM 1160 N GLN A 11 -15.188 1.838 5.585 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.851 1.456 7.000 1.00 0.00 C ATOM 1162 C GLN A 11 -13.509 0.696 7.104 1.00 0.00 C ATOM 1163 O GLN A 11 -13.393 -0.250 7.857 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.977 0.565 7.542 1.00 0.00 C ATOM 1165 CG GLN A 11 -15.945 0.518 9.077 1.00 0.00 C ATOM 1166 CD GLN A 11 -16.914 -0.563 9.564 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -16.877 -1.683 9.093 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -17.785 -0.275 10.490 1.00 0.00 N ATOM 0 H GLN A 11 -15.337 2.835 5.427 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.751 2.372 7.583 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.942 0.945 7.205 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.874 -0.443 7.141 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.935 0.303 9.426 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -16.225 1.488 9.489 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.817 0.665 10.886 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.435 -0.989 10.819 1.00 0.00 H new ATOM 1177 N THR A 12 -12.469 1.161 6.459 1.00 0.00 N ATOM 1178 CA THR A 12 -11.119 0.540 6.649 1.00 0.00 C ATOM 1179 C THR A 12 -10.355 1.478 7.595 1.00 0.00 C ATOM 1180 O THR A 12 -10.582 2.672 7.546 1.00 0.00 O ATOM 1181 CB THR A 12 -10.387 0.360 5.302 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.183 -0.363 5.526 1.00 0.00 O ATOM 1183 CG2 THR A 12 -10.047 1.700 4.634 1.00 0.00 C ATOM 0 H THR A 12 -12.495 1.945 5.807 1.00 0.00 H new ATOM 0 HA THR A 12 -11.197 -0.462 7.072 1.00 0.00 H new ATOM 0 HB THR A 12 -11.055 -0.181 4.632 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.415 0.232 5.398 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.533 1.516 3.690 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.965 2.256 4.445 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.401 2.281 5.292 1.00 0.00 H new ATOM 1191 N SER A 13 -9.459 1.011 8.438 1.00 0.00 N ATOM 1192 CA SER A 13 -8.708 1.980 9.327 1.00 0.00 C ATOM 1193 C SER A 13 -7.207 1.852 9.037 1.00 0.00 C ATOM 1194 O SER A 13 -6.380 2.396 9.741 1.00 0.00 O ATOM 1195 CB SER A 13 -8.991 1.685 10.801 1.00 0.00 C ATOM 1196 OG SER A 13 -8.007 2.326 11.603 1.00 0.00 O ATOM 0 H SER A 13 -9.215 0.027 8.553 1.00 0.00 H new ATOM 0 HA SER A 13 -9.038 2.998 9.119 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.985 2.040 11.071 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.978 0.610 10.978 1.00 0.00 H new ATOM 0 HG SER A 13 -7.393 2.828 11.028 1.00 0.00 H new ATOM 1202 N THR A 14 -6.856 1.131 7.995 1.00 0.00 N ATOM 1203 CA THR A 14 -5.412 0.943 7.628 1.00 0.00 C ATOM 1204 C THR A 14 -5.135 1.590 6.270 1.00 0.00 C ATOM 1205 O THR A 14 -4.614 0.973 5.375 1.00 0.00 O ATOM 1206 CB THR A 14 -5.111 -0.552 7.534 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.606 -1.060 6.302 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.784 -1.275 8.695 1.00 0.00 C ATOM 0 H THR A 14 -7.516 0.660 7.376 1.00 0.00 H new ATOM 0 HA THR A 14 -4.783 1.407 8.388 1.00 0.00 H new ATOM 0 HB THR A 14 -4.034 -0.712 7.581 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.197 -0.570 5.558 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.571 -2.342 8.631 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.401 -0.884 9.638 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.861 -1.116 8.647 1.00 0.00 H new ATOM 1216 N THR A 15 -5.536 2.807 6.096 1.00 0.00 N ATOM 1217 CA THR A 15 -5.343 3.480 4.772 1.00 0.00 C ATOM 1218 C THR A 15 -3.901 3.945 4.583 1.00 0.00 C ATOM 1219 O THR A 15 -3.221 4.299 5.525 1.00 0.00 O ATOM 1220 CB THR A 15 -6.238 4.710 4.717 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.605 5.784 5.401 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.546 4.386 5.410 1.00 0.00 C ATOM 0 H THR A 15 -5.992 3.376 6.809 1.00 0.00 H new ATOM 0 HA THR A 15 -5.589 2.763 3.989 1.00 0.00 H new ATOM 0 HB THR A 15 -6.419 4.994 3.680 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.253 6.224 5.990 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.200 5.258 5.380 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.030 3.552 4.902 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.351 4.115 6.448 1.00 0.00 H new ATOM 1230 N THR A 16 -3.442 3.974 3.359 1.00 0.00 N ATOM 1231 CA THR A 16 -2.059 4.452 3.102 1.00 0.00 C ATOM 1232 C THR A 16 -2.062 5.985 3.143 1.00 0.00 C ATOM 1233 O THR A 16 -1.176 6.602 3.700 1.00 0.00 O ATOM 1234 CB THR A 16 -1.591 3.999 1.720 1.00 0.00 C ATOM 1235 OG1 THR A 16 -2.557 4.362 0.746 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.366 2.493 1.684 1.00 0.00 C ATOM 0 H THR A 16 -3.966 3.688 2.532 1.00 0.00 H new ATOM 0 HA THR A 16 -1.388 4.043 3.857 1.00 0.00 H new ATOM 0 HB THR A 16 -0.644 4.492 1.500 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.905 3.554 0.314 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.033 2.198 0.689 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.605 2.221 2.416 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.298 1.980 1.922 1.00 0.00 H new ATOM 1244 N LEU A 17 -3.073 6.601 2.574 1.00 0.00 N ATOM 1245 CA LEU A 17 -3.168 8.098 2.597 1.00 0.00 C ATOM 1246 C LEU A 17 -4.648 8.469 2.767 1.00 0.00 C ATOM 1247 O LEU A 17 -5.505 7.958 2.073 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.613 8.705 1.282 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.954 10.071 1.557 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.698 9.890 2.455 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.575 10.740 0.209 1.00 0.00 C ATOM 0 H LEU A 17 -3.839 6.130 2.093 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.574 8.497 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.885 8.025 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.420 8.822 0.559 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.657 10.715 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.241 10.862 2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.990 9.438 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.020 9.243 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.109 11.706 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.876 10.101 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.473 10.883 -0.391 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.961 9.342 3.682 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.386 9.730 3.893 1.00 0.00 C ATOM 1265 C TRP A 18 -6.802 10.784 2.859 1.00 0.00 C ATOM 1266 O TRP A 18 -6.121 11.772 2.662 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.521 10.321 5.300 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.506 9.210 6.305 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.489 8.938 7.155 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.536 8.211 6.571 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.831 7.835 7.915 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -7.079 7.359 7.600 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.809 7.962 6.027 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.849 6.303 8.079 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.589 6.893 6.505 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -9.109 6.068 7.529 1.00 0.00 C ATOM 0 H TRP A 18 -4.291 9.806 4.295 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.027 8.855 3.782 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.704 11.015 5.496 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.448 10.889 5.382 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.564 9.491 7.228 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.227 7.423 8.626 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.190 8.594 5.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.474 5.671 8.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.564 6.708 6.079 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.714 5.250 7.893 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.917 10.578 2.194 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.392 11.560 1.163 1.00 0.00 C ATOM 1289 C ARG A 19 -9.708 12.187 1.629 1.00 0.00 C ATOM 1290 O ARG A 19 -10.689 11.492 1.788 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.682 10.824 -0.162 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.626 9.760 -0.425 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.264 10.417 -0.589 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.335 9.451 -1.245 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.195 9.857 -1.738 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.834 11.102 -1.626 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.410 9.012 -2.345 1.00 0.00 N ATOM 0 H ARG A 19 -8.522 9.767 2.322 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.622 12.319 1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.669 10.362 -0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.699 11.538 -0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.600 9.048 0.400 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.879 9.197 -1.323 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.352 11.322 -1.190 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.871 10.717 0.383 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.592 8.466 -1.309 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.442 11.769 -1.151 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.943 11.411 -2.013 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.686 8.034 -2.435 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.520 9.329 -2.730 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.782 13.471 1.818 1.00 0.00 N ATOM 1312 CA ARG A 20 -11.094 14.037 2.223 1.00 0.00 C ATOM 1313 C ARG A 20 -12.010 13.916 0.997 1.00 0.00 C ATOM 1314 O ARG A 20 -11.564 14.065 -0.125 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.932 15.500 2.651 1.00 0.00 C ATOM 1316 CG ARG A 20 -12.220 15.995 3.330 1.00 0.00 C ATOM 1317 CD ARG A 20 -12.410 15.314 4.704 1.00 0.00 C ATOM 1318 NE ARG A 20 -13.288 16.157 5.585 1.00 0.00 N ATOM 1319 CZ ARG A 20 -12.967 17.381 5.917 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -11.794 17.866 5.616 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -13.810 18.105 6.601 1.00 0.00 N ATOM 0 H ARG A 20 -9.016 14.137 1.714 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.516 13.505 3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.090 15.596 3.336 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.708 16.119 1.782 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.177 17.077 3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.078 15.783 2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.856 14.328 4.571 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.441 15.164 5.181 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.161 15.763 5.935 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.117 17.290 5.117 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.554 18.822 5.880 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.713 17.716 6.873 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.566 19.060 6.863 1.00 0.00 H new ATOM 1335 N SER A 21 -13.271 13.624 1.186 1.00 0.00 N ATOM 1336 CA SER A 21 -14.190 13.468 0.006 1.00 0.00 C ATOM 1337 C SER A 21 -14.861 14.814 -0.324 1.00 0.00 C ATOM 1338 O SER A 21 -14.915 15.698 0.503 1.00 0.00 O ATOM 1339 CB SER A 21 -15.238 12.391 0.333 1.00 0.00 C ATOM 1340 OG SER A 21 -14.855 11.168 -0.285 1.00 0.00 O ATOM 0 H SER A 21 -13.707 13.487 2.098 1.00 0.00 H new ATOM 0 HA SER A 21 -13.623 13.157 -0.871 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.318 12.259 1.412 1.00 0.00 H new ATOM 0 HB3 SER A 21 -16.220 12.701 -0.023 1.00 0.00 H new ATOM 0 HG SER A 21 -15.518 10.476 -0.079 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.365 14.973 -1.534 1.00 0.00 N ATOM 1347 CA PRO A 22 -16.029 16.249 -1.928 1.00 0.00 C ATOM 1348 C PRO A 22 -17.118 16.675 -0.929 1.00 0.00 C ATOM 1349 O PRO A 22 -17.493 17.828 -0.859 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.640 15.898 -3.306 1.00 0.00 C ATOM 1351 CG PRO A 22 -16.252 14.448 -3.665 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.304 13.912 -2.583 1.00 0.00 C ATOM 0 HA PRO A 22 -15.340 17.093 -1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.725 16.002 -3.276 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.274 16.587 -4.068 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.143 13.823 -3.731 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.768 14.417 -4.641 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.632 12.946 -2.200 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.291 13.777 -2.963 1.00 0.00 H new ATOM 1360 N MET A 23 -17.630 15.745 -0.162 1.00 0.00 N ATOM 1361 CA MET A 23 -18.699 16.081 0.829 1.00 0.00 C ATOM 1362 C MET A 23 -18.077 16.318 2.206 1.00 0.00 C ATOM 1363 O MET A 23 -18.717 16.824 3.107 1.00 0.00 O ATOM 1364 CB MET A 23 -19.680 14.911 0.921 1.00 0.00 C ATOM 1365 CG MET A 23 -20.467 14.794 -0.386 1.00 0.00 C ATOM 1366 SD MET A 23 -21.574 13.365 -0.290 1.00 0.00 S ATOM 1367 CE MET A 23 -22.135 13.392 -2.010 1.00 0.00 C ATOM 0 H MET A 23 -17.353 14.764 -0.179 1.00 0.00 H new ATOM 0 HA MET A 23 -19.218 16.984 0.507 1.00 0.00 H new ATOM 0 HB2 MET A 23 -19.139 13.985 1.115 1.00 0.00 H new ATOM 0 HB3 MET A 23 -20.364 15.062 1.756 1.00 0.00 H new ATOM 0 HG2 MET A 23 -21.042 15.703 -0.560 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.783 14.683 -1.227 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.840 12.578 -2.175 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.624 14.344 -2.218 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.279 13.271 -2.674 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.835 15.955 2.380 1.00 0.00 N ATOM 1378 CA GLY A 24 -16.170 16.154 3.702 1.00 0.00 C ATOM 1379 C GLY A 24 -16.278 14.875 4.538 1.00 0.00 C ATOM 1380 O GLY A 24 -16.247 14.915 5.752 1.00 0.00 O ATOM 0 H GLY A 24 -16.250 15.528 1.662 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.122 16.416 3.556 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.635 16.985 4.232 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.396 13.735 3.902 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.495 12.442 4.645 1.00 0.00 C ATOM 1386 C ASP A 25 -15.145 11.692 4.521 1.00 0.00 C ATOM 1387 O ASP A 25 -14.809 11.234 3.449 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.587 11.589 3.990 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.883 12.398 3.886 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.881 13.541 4.312 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.855 11.858 3.383 1.00 0.00 O ATOM 0 H ASP A 25 -16.428 13.646 2.886 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.730 12.625 5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.266 11.269 2.998 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.757 10.686 4.576 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.359 11.566 5.577 1.00 0.00 N ATOM 1397 CA PRO A 26 -13.037 10.859 5.475 1.00 0.00 C ATOM 1398 C PRO A 26 -13.117 9.504 4.732 1.00 0.00 C ATOM 1399 O PRO A 26 -13.930 8.658 5.048 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.669 10.679 6.957 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.459 11.729 7.754 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.703 12.094 6.933 1.00 0.00 C ATOM 0 HA PRO A 26 -12.303 11.413 4.890 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.917 9.673 7.295 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.597 10.810 7.106 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.746 11.334 8.729 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.847 12.613 7.935 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.604 11.630 7.333 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.878 13.170 6.918 1.00 0.00 H new ATOM 1410 N VAL A 27 -12.249 9.298 3.759 1.00 0.00 N ATOM 1411 CA VAL A 27 -12.235 7.995 2.997 1.00 0.00 C ATOM 1412 C VAL A 27 -10.794 7.493 2.840 1.00 0.00 C ATOM 1413 O VAL A 27 -9.848 8.238 3.007 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.872 8.153 1.618 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.389 8.312 1.769 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -12.264 9.368 0.919 1.00 0.00 C ATOM 0 H VAL A 27 -11.549 9.976 3.459 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.817 7.269 3.565 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.678 7.268 1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.843 8.425 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.800 7.430 2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.604 9.195 2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.716 9.485 -0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.453 10.262 1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.189 9.225 0.810 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.613 6.227 2.533 1.00 0.00 N ATOM 1427 CA CYS A 28 -9.233 5.674 2.384 1.00 0.00 C ATOM 1428 C CYS A 28 -8.670 5.940 0.982 1.00 0.00 C ATOM 1429 O CYS A 28 -9.393 6.153 0.028 1.00 0.00 O ATOM 1430 CB CYS A 28 -9.240 4.169 2.717 1.00 0.00 C ATOM 1431 SG CYS A 28 -10.055 3.175 1.430 1.00 0.00 S ATOM 0 H CYS A 28 -11.365 5.555 2.380 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.573 6.183 3.087 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -8.214 3.823 2.843 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.748 4.013 3.668 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.365 5.955 0.877 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.688 6.237 -0.426 1.00 0.00 C ATOM 1438 C ASN A 29 -7.316 5.432 -1.561 1.00 0.00 C ATOM 1439 O ASN A 29 -7.372 5.884 -2.687 1.00 0.00 O ATOM 1440 CB ASN A 29 -5.214 5.840 -0.294 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.441 6.312 -1.521 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.991 6.404 -2.596 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -3.176 6.614 -1.405 1.00 0.00 N ATOM 0 H ASN A 29 -6.728 5.780 1.654 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.794 7.297 -0.659 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.788 6.281 0.607 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.127 4.758 -0.192 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.650 6.928 -2.220 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.714 6.536 -0.499 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.775 4.252 -1.295 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.377 3.443 -2.389 1.00 0.00 C ATOM 1452 C ALA A 30 -9.774 3.983 -2.763 1.00 0.00 C ATOM 1453 O ALA A 30 -10.038 4.279 -3.911 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.450 1.979 -1.931 1.00 0.00 C ATOM 0 H ALA A 30 -7.763 3.810 -0.376 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.758 3.511 -3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.889 1.372 -2.722 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.446 1.616 -1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.066 1.908 -1.035 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.670 4.113 -1.815 1.00 0.00 N ATOM 1461 CA CYS A 31 -12.038 4.630 -2.146 1.00 0.00 C ATOM 1462 C CYS A 31 -11.930 5.984 -2.835 1.00 0.00 C ATOM 1463 O CYS A 31 -12.589 6.251 -3.802 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.855 4.833 -0.866 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.393 3.251 -0.200 1.00 0.00 S ATOM 0 H CYS A 31 -10.517 3.886 -0.833 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.522 3.901 -2.796 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.254 5.360 -0.125 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.722 5.459 -1.077 1.00 0.00 H new ATOM 1470 N GLY A 32 -11.125 6.853 -2.332 1.00 0.00 N ATOM 1471 CA GLY A 32 -11.031 8.189 -2.965 1.00 0.00 C ATOM 1472 C GLY A 32 -10.748 8.042 -4.458 1.00 0.00 C ATOM 1473 O GLY A 32 -11.395 8.652 -5.285 1.00 0.00 O ATOM 0 H GLY A 32 -10.530 6.705 -1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.961 8.737 -2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.239 8.769 -2.492 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.778 7.252 -4.811 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.449 7.081 -6.251 1.00 0.00 C ATOM 1479 C LEU A 33 -10.529 6.238 -6.946 1.00 0.00 C ATOM 1480 O LEU A 33 -11.044 6.610 -7.978 1.00 0.00 O ATOM 1481 CB LEU A 33 -8.081 6.400 -6.361 1.00 0.00 C ATOM 1482 CG LEU A 33 -7.016 7.273 -5.665 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.772 6.435 -5.349 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.621 8.455 -6.567 1.00 0.00 C ATOM 0 H LEU A 33 -9.198 6.716 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.414 8.053 -6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.116 5.413 -5.900 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.819 6.253 -7.409 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.438 7.657 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.027 7.061 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.046 5.612 -4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.357 6.036 -6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.869 9.062 -6.063 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.213 8.077 -7.504 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.501 9.065 -6.774 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.886 5.112 -6.394 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.934 4.266 -7.040 1.00 0.00 C ATOM 1498 C TYR A 34 -13.232 5.056 -7.142 1.00 0.00 C ATOM 1499 O TYR A 34 -13.874 5.099 -8.173 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.181 3.026 -6.177 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.332 2.222 -6.739 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -13.089 1.232 -7.692 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -14.638 2.460 -6.295 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -14.151 0.476 -8.206 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -15.700 1.706 -6.807 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.456 0.713 -7.763 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.502 -0.033 -8.269 1.00 0.00 O ATOM 0 H TYR A 34 -10.500 4.740 -5.526 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.600 3.972 -8.035 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.281 2.412 -6.143 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.402 3.325 -5.152 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -12.081 1.048 -8.034 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -14.826 3.226 -5.557 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.962 -0.289 -8.944 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -16.708 1.890 -6.465 1.00 0.00 H new ATOM 0 HH TYR A 34 -17.341 0.258 -7.855 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.623 5.671 -6.071 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.876 6.455 -6.069 1.00 0.00 C ATOM 1519 C TYR A 35 -14.780 7.590 -7.093 1.00 0.00 C ATOM 1520 O TYR A 35 -15.669 7.812 -7.871 1.00 0.00 O ATOM 1521 CB TYR A 35 -15.099 7.045 -4.670 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.543 7.434 -4.528 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.966 8.690 -4.955 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.459 6.529 -3.980 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.312 9.052 -4.837 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.805 6.885 -3.858 1.00 0.00 C ATOM 1527 CZ TYR A 35 -19.234 8.148 -4.287 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.562 8.503 -4.170 1.00 0.00 O ATOM 0 H TYR A 35 -13.120 5.663 -5.184 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.711 5.806 -6.333 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.829 6.316 -3.906 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.458 7.914 -4.521 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.255 9.385 -5.377 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.126 5.556 -3.651 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.641 10.026 -5.169 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.513 6.188 -3.434 1.00 0.00 H new ATOM 0 HH TYR A 35 -21.065 7.763 -3.771 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.712 8.320 -7.094 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.588 9.443 -8.065 1.00 0.00 C ATOM 1540 C LYS A 36 -13.666 8.917 -9.504 1.00 0.00 C ATOM 1541 O LYS A 36 -14.308 9.505 -10.352 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.236 10.128 -7.834 1.00 0.00 C ATOM 1543 CG LYS A 36 -12.019 11.246 -8.860 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.717 11.997 -8.539 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.498 11.189 -9.017 1.00 0.00 C ATOM 1546 NZ LYS A 36 -8.286 12.057 -8.987 1.00 0.00 N ATOM 0 H LYS A 36 -12.917 8.194 -6.468 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.403 10.151 -7.917 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.198 10.539 -6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.433 9.395 -7.910 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.970 10.826 -9.865 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.862 11.937 -8.844 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.725 12.974 -9.022 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.646 12.172 -7.466 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.351 10.319 -8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.668 10.817 -10.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.461 11.512 -9.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.429 12.874 -9.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.122 12.391 -8.016 1.00 0.00 H new ATOM 1560 N LEU A 37 -13.011 7.831 -9.792 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.038 7.289 -11.183 1.00 0.00 C ATOM 1562 C LEU A 37 -14.424 6.716 -11.542 1.00 0.00 C ATOM 1563 O LEU A 37 -14.872 6.860 -12.662 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.965 6.186 -11.312 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.626 6.783 -11.773 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.131 7.841 -10.777 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.586 5.666 -11.875 1.00 0.00 C ATOM 0 H LEU A 37 -12.457 7.292 -9.127 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.829 8.104 -11.876 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.834 5.685 -10.353 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.297 5.430 -12.024 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.770 7.256 -12.744 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.182 8.250 -11.123 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.866 8.642 -10.702 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.993 7.383 -9.798 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.634 6.084 -12.202 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.460 5.196 -10.900 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.922 4.921 -12.596 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.082 6.031 -10.630 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.414 5.407 -10.965 1.00 0.00 C ATOM 1581 C HIS A 38 -17.560 5.980 -10.120 1.00 0.00 C ATOM 1582 O HIS A 38 -18.694 5.587 -10.284 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.317 3.904 -10.704 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.204 3.329 -11.531 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.420 2.800 -12.793 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.858 3.193 -11.291 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.234 2.373 -13.262 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.248 2.588 -12.386 1.00 0.00 N ATOM 0 H HIS A 38 -14.760 5.876 -9.675 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.635 5.624 -12.010 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.133 3.718 -9.646 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.260 3.418 -10.954 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.351 3.507 -10.391 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.095 1.912 -14.229 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.260 2.358 -12.496 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.297 6.897 -9.233 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.371 7.502 -8.380 1.00 0.00 C ATOM 1598 C GLN A 39 -19.460 6.488 -7.960 1.00 0.00 C ATOM 1599 O GLN A 39 -20.640 6.776 -7.981 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.948 8.746 -9.078 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.753 8.360 -10.331 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.299 9.628 -10.993 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.667 10.666 -10.960 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -21.455 9.588 -11.601 1.00 0.00 N ATOM 0 H GLN A 39 -16.362 7.265 -9.055 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.917 7.816 -7.440 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -19.589 9.290 -8.385 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -18.137 9.418 -9.357 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -19.119 7.815 -11.031 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -20.573 7.696 -10.060 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.986 8.718 -11.630 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.826 10.427 -12.047 1.00 0.00 H new ATOM 1613 N VAL A 40 -19.053 5.322 -7.507 1.00 0.00 N ATOM 1614 CA VAL A 40 -20.022 4.298 -7.007 1.00 0.00 C ATOM 1615 C VAL A 40 -19.402 3.597 -5.790 1.00 0.00 C ATOM 1616 O VAL A 40 -18.196 3.525 -5.655 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.319 3.250 -8.078 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.214 3.843 -9.166 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -19.013 2.748 -8.688 1.00 0.00 C ATOM 0 H VAL A 40 -18.075 5.036 -7.463 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.955 4.796 -6.743 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.841 2.412 -7.617 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.418 3.085 -9.923 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.153 4.175 -8.724 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.710 4.692 -9.629 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.231 2.001 -9.451 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.478 3.583 -9.140 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.396 2.301 -7.909 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.211 3.082 -4.901 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.657 2.387 -3.690 1.00 0.00 C ATOM 1631 C ASN A 41 -19.380 0.906 -4.004 1.00 0.00 C ATOM 1632 O ASN A 41 -20.206 0.221 -4.574 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.658 2.480 -2.535 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.928 1.704 -2.887 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -21.916 0.491 -2.947 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -23.035 2.357 -3.116 1.00 0.00 N ATOM 0 H ASN A 41 -21.229 3.110 -4.957 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.724 2.873 -3.406 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.215 2.077 -1.624 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.902 3.524 -2.336 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.889 1.848 -3.345 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -23.046 3.376 -3.066 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.214 0.410 -3.646 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.857 -1.023 -3.930 1.00 0.00 C ATOM 1645 C ARG A 42 -17.938 -1.862 -2.631 1.00 0.00 C ATOM 1646 O ARG A 42 -17.712 -1.345 -1.555 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.415 -1.060 -4.459 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.461 -0.553 -3.374 1.00 0.00 C ATOM 1649 CD ARG A 42 -14.061 -0.368 -3.967 1.00 0.00 C ATOM 1650 NE ARG A 42 -13.785 -1.461 -4.944 1.00 0.00 N ATOM 1651 CZ ARG A 42 -12.783 -1.354 -5.775 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -12.020 -0.297 -5.743 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -12.544 -2.305 -6.636 1.00 0.00 N ATOM 0 H ARG A 42 -17.488 0.942 -3.165 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.551 -1.437 -4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.148 -2.077 -4.747 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.328 -0.442 -5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.823 0.392 -2.969 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.426 -1.261 -2.546 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.989 0.601 -4.460 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.314 -0.378 -3.173 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.378 -2.291 -4.963 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.206 0.446 -5.069 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.237 -0.213 -6.392 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.140 -3.133 -6.660 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.761 -2.221 -7.285 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.242 -3.149 -2.716 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.319 -4.017 -1.492 1.00 0.00 C ATOM 1669 C PRO A 43 -16.981 -4.089 -0.722 1.00 0.00 C ATOM 1670 O PRO A 43 -15.916 -3.949 -1.288 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.704 -5.390 -2.083 1.00 0.00 C ATOM 1672 CG PRO A 43 -18.531 -5.316 -3.609 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.537 -3.836 -4.012 1.00 0.00 C ATOM 0 HA PRO A 43 -19.025 -3.638 -0.753 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -18.073 -6.175 -1.666 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.734 -5.639 -1.828 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -17.597 -5.790 -3.911 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -19.337 -5.852 -4.111 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.783 -3.618 -4.768 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.499 -3.531 -4.424 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.048 -4.297 0.570 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.806 -4.371 1.411 1.00 0.00 C ATOM 1683 C LEU A 44 -15.046 -5.682 1.168 1.00 0.00 C ATOM 1684 O LEU A 44 -13.974 -5.883 1.698 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.203 -4.296 2.905 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.215 -2.836 3.386 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.374 -2.073 2.727 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.360 -2.800 4.917 1.00 0.00 C ATOM 0 H LEU A 44 -17.919 -4.420 1.086 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.158 -3.538 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.188 -4.740 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.501 -4.877 3.504 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.278 -2.357 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.374 -1.040 3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.253 -2.092 1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.319 -2.545 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.368 -1.765 5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.293 -3.284 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.522 -3.325 5.374 1.00 0.00 H new ATOM 1700 N THR A 45 -15.590 -6.583 0.411 1.00 0.00 N ATOM 1701 CA THR A 45 -14.876 -7.873 0.192 1.00 0.00 C ATOM 1702 C THR A 45 -13.464 -7.592 -0.325 1.00 0.00 C ATOM 1703 O THR A 45 -12.638 -8.478 -0.419 1.00 0.00 O ATOM 1704 CB THR A 45 -15.640 -8.713 -0.832 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.807 -7.962 -2.028 1.00 0.00 O ATOM 1706 CG2 THR A 45 -17.012 -9.092 -0.267 1.00 0.00 C ATOM 0 H THR A 45 -16.488 -6.490 -0.063 1.00 0.00 H new ATOM 0 HA THR A 45 -14.815 -8.419 1.133 1.00 0.00 H new ATOM 0 HB THR A 45 -15.078 -9.621 -1.048 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.295 -8.499 -2.686 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.554 -9.691 -0.999 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.882 -9.669 0.649 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.578 -8.187 -0.048 1.00 0.00 H new ATOM 1714 N MET A 46 -13.188 -6.365 -0.673 1.00 0.00 N ATOM 1715 CA MET A 46 -11.834 -6.015 -1.201 1.00 0.00 C ATOM 1716 C MET A 46 -10.910 -5.568 -0.057 1.00 0.00 C ATOM 1717 O MET A 46 -9.702 -5.605 -0.176 1.00 0.00 O ATOM 1718 CB MET A 46 -11.997 -4.879 -2.214 1.00 0.00 C ATOM 1719 CG MET A 46 -10.702 -4.663 -3.003 1.00 0.00 C ATOM 1720 SD MET A 46 -11.087 -3.736 -4.510 1.00 0.00 S ATOM 1721 CE MET A 46 -9.410 -3.169 -4.882 1.00 0.00 C ATOM 0 H MET A 46 -13.843 -5.585 -0.615 1.00 0.00 H new ATOM 0 HA MET A 46 -11.385 -6.887 -1.677 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.811 -5.112 -2.900 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.270 -3.960 -1.696 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.978 -4.117 -2.398 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.249 -5.622 -3.255 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.351 -2.870 -5.928 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.164 -2.318 -4.247 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.703 -3.977 -4.695 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.466 -5.141 1.047 1.00 0.00 N ATOM 1732 CA ARG A 47 -10.612 -4.683 2.188 1.00 0.00 C ATOM 1733 C ARG A 47 -10.023 -5.891 2.925 1.00 0.00 C ATOM 1734 O ARG A 47 -10.635 -6.938 3.010 1.00 0.00 O ATOM 1735 CB ARG A 47 -11.461 -3.879 3.180 1.00 0.00 C ATOM 1736 CG ARG A 47 -12.258 -2.798 2.445 1.00 0.00 C ATOM 1737 CD ARG A 47 -11.317 -1.840 1.719 1.00 0.00 C ATOM 1738 NE ARG A 47 -10.153 -1.516 2.595 1.00 0.00 N ATOM 1739 CZ ARG A 47 -9.108 -0.907 2.102 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -9.105 -0.516 0.857 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -8.070 -0.674 2.860 1.00 0.00 N ATOM 0 H ARG A 47 -12.472 -5.089 1.210 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.808 -4.064 1.791 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.142 -4.545 3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.818 -3.419 3.930 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.937 -3.262 1.730 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.873 -2.245 3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.970 -2.291 0.789 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.848 -0.927 1.451 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.174 -1.771 3.582 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.920 -0.686 0.267 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.288 -0.041 0.474 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.076 -0.968 3.837 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.254 -0.198 2.475 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.839 -5.749 3.474 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.207 -6.881 4.228 1.00 0.00 C ATOM 1757 C LYS A 48 -7.461 -6.337 5.452 1.00 0.00 C ATOM 1758 O LYS A 48 -7.217 -5.153 5.568 1.00 0.00 O ATOM 1759 CB LYS A 48 -7.242 -7.652 3.321 1.00 0.00 C ATOM 1760 CG LYS A 48 -6.102 -6.742 2.845 1.00 0.00 C ATOM 1761 CD LYS A 48 -5.146 -7.542 1.942 1.00 0.00 C ATOM 1762 CE LYS A 48 -5.723 -7.656 0.525 1.00 0.00 C ATOM 1763 NZ LYS A 48 -4.702 -8.256 -0.378 1.00 0.00 N ATOM 0 H LYS A 48 -8.281 -4.896 3.432 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.989 -7.563 4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.832 -8.506 3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.781 -8.048 2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.507 -5.890 2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.560 -6.342 3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.173 -7.053 1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.988 -8.537 2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.622 -8.272 0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.015 -6.672 0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.631 -7.689 -1.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.780 -8.270 0.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.981 -9.228 -0.620 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.142 -7.198 6.384 1.00 0.00 N ATOM 1778 CA ASP A 49 -6.454 -6.766 7.643 1.00 0.00 C ATOM 1779 C ASP A 49 -5.422 -5.652 7.390 1.00 0.00 C ATOM 1780 O ASP A 49 -5.749 -4.482 7.377 1.00 0.00 O ATOM 1781 CB ASP A 49 -5.755 -7.982 8.272 1.00 0.00 C ATOM 1782 CG ASP A 49 -5.124 -8.840 7.174 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -5.866 -9.506 6.470 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -3.910 -8.819 7.057 1.00 0.00 O ATOM 0 H ASP A 49 -7.331 -8.199 6.327 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.209 -6.363 8.318 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.989 -7.651 8.973 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.473 -8.573 8.840 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.173 -6.011 7.228 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.107 -4.979 7.023 1.00 0.00 C ATOM 1791 C GLY A 50 -3.221 -4.334 5.638 1.00 0.00 C ATOM 1792 O GLY A 50 -4.171 -4.549 4.914 1.00 0.00 O ATOM 0 H GLY A 50 -3.844 -6.976 7.229 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.187 -4.211 7.793 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.125 -5.439 7.133 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.244 -3.535 5.274 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.262 -2.859 3.946 1.00 0.00 C ATOM 1798 C ILE A 51 -1.539 -3.732 2.909 1.00 0.00 C ATOM 1799 O ILE A 51 -0.597 -4.436 3.216 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.576 -1.491 4.087 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.268 -0.719 5.235 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.685 -0.705 2.771 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -2.031 0.794 5.109 1.00 0.00 C ATOM 0 H ILE A 51 -1.429 -3.324 5.850 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.287 -2.714 3.606 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.518 -1.623 4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.338 -0.924 5.222 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.888 -1.071 6.194 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.195 0.262 2.883 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.201 -1.266 1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.736 -0.553 2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.529 1.310 5.930 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.961 0.999 5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.434 1.148 4.160 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.983 -3.682 1.681 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.342 -4.495 0.603 1.00 0.00 C ATOM 1817 C GLN A 52 0.013 -3.891 0.223 1.00 0.00 C ATOM 1818 O GLN A 52 0.186 -2.694 0.218 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.237 -4.495 -0.641 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.490 -5.331 -0.396 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.422 -5.192 -1.601 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.513 -6.083 -2.422 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -5.117 -4.097 -1.750 1.00 0.00 N ATOM 0 H GLN A 52 -2.769 -3.108 1.375 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.203 -5.512 0.970 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.518 -3.473 -0.894 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.686 -4.895 -1.493 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.222 -6.377 -0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.994 -4.998 0.511 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.042 -3.348 -1.062 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.735 -3.991 -2.554 1.00 0.00 H new ATOM 1832 N THR A 53 0.984 -4.709 -0.092 1.00 0.00 N ATOM 1833 CA THR A 53 2.324 -4.163 -0.480 1.00 0.00 C ATOM 1834 C THR A 53 2.888 -4.954 -1.660 1.00 0.00 C ATOM 1835 O THR A 53 2.566 -6.105 -1.882 1.00 0.00 O ATOM 1836 CB THR A 53 3.287 -4.224 0.706 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.619 -4.343 0.232 1.00 0.00 O ATOM 1838 CG2 THR A 53 2.941 -5.419 1.580 1.00 0.00 C ATOM 0 H THR A 53 0.910 -5.726 -0.098 1.00 0.00 H new ATOM 0 HA THR A 53 2.206 -3.121 -0.777 1.00 0.00 H new ATOM 0 HB THR A 53 3.197 -3.311 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.235 -4.380 0.993 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.628 -5.462 2.425 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.920 -5.318 1.947 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.027 -6.335 0.995 1.00 0.00 H new ATOM 1846 N ARG A 54 3.724 -4.308 -2.417 1.00 0.00 N ATOM 1847 CA ARG A 54 4.346 -4.947 -3.619 1.00 0.00 C ATOM 1848 C ARG A 54 5.750 -4.391 -3.824 1.00 0.00 C ATOM 1849 O ARG A 54 6.098 -3.345 -3.315 1.00 0.00 O ATOM 1850 CB ARG A 54 3.523 -4.634 -4.882 1.00 0.00 C ATOM 1851 CG ARG A 54 2.111 -5.252 -4.817 1.00 0.00 C ATOM 1852 CD ARG A 54 2.185 -6.781 -4.931 1.00 0.00 C ATOM 1853 NE ARG A 54 3.072 -7.167 -6.064 1.00 0.00 N ATOM 1854 CZ ARG A 54 3.603 -8.358 -6.098 1.00 0.00 C ATOM 1855 NH1 ARG A 54 3.376 -9.205 -5.129 1.00 0.00 N ATOM 1856 NH2 ARG A 54 4.371 -8.702 -7.096 1.00 0.00 N ATOM 0 H ARG A 54 4.012 -3.343 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 54 4.377 -6.024 -3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.441 -3.554 -5.003 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.046 -5.015 -5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.630 -4.975 -3.879 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.495 -4.851 -5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.564 -7.205 -4.001 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.187 -7.191 -5.084 1.00 0.00 H new ATOM 0 HE ARG A 54 3.264 -6.501 -6.812 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.783 -8.935 -4.344 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.792 -10.136 -5.157 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.556 -8.039 -7.849 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.786 -9.633 -7.123 1.00 0.00 H new ATOM 1870 N ASN A 55 6.557 -5.078 -4.585 1.00 0.00 N ATOM 1871 CA ASN A 55 7.933 -4.579 -4.837 1.00 0.00 C ATOM 1872 C ASN A 55 7.840 -3.156 -5.387 1.00 0.00 C ATOM 1873 O ASN A 55 6.983 -2.845 -6.191 1.00 0.00 O ATOM 1874 CB ASN A 55 8.624 -5.475 -5.867 1.00 0.00 C ATOM 1875 CG ASN A 55 9.003 -6.808 -5.219 1.00 0.00 C ATOM 1876 OD1 ASN A 55 8.677 -7.860 -5.731 1.00 0.00 O ATOM 1877 ND2 ASN A 55 9.686 -6.806 -4.107 1.00 0.00 N ATOM 0 H ASN A 55 6.322 -5.960 -5.041 1.00 0.00 H new ATOM 0 HA ASN A 55 8.508 -4.589 -3.911 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.962 -5.647 -6.716 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.515 -4.981 -6.253 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.947 -7.689 -3.667 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.959 -5.922 -3.678 1.00 0.00 H new ATOM 1884 N ARG A 56 8.707 -2.289 -4.952 1.00 0.00 N ATOM 1885 CA ARG A 56 8.666 -0.880 -5.437 1.00 0.00 C ATOM 1886 C ARG A 56 9.035 -0.830 -6.919 1.00 0.00 C ATOM 1887 O ARG A 56 9.986 -1.452 -7.350 1.00 0.00 O ATOM 1888 CB ARG A 56 9.679 -0.047 -4.651 1.00 0.00 C ATOM 1889 CG ARG A 56 9.314 -0.064 -3.166 1.00 0.00 C ATOM 1890 CD ARG A 56 10.236 0.891 -2.403 1.00 0.00 C ATOM 1891 NE ARG A 56 10.051 0.697 -0.939 1.00 0.00 N ATOM 1892 CZ ARG A 56 10.955 1.129 -0.101 1.00 0.00 C ATOM 1893 NH1 ARG A 56 12.033 1.716 -0.543 1.00 0.00 N ATOM 1894 NH2 ARG A 56 10.781 0.964 1.182 1.00 0.00 N ATOM 0 H ARG A 56 9.446 -2.494 -4.279 1.00 0.00 H new ATOM 0 HA ARG A 56 7.661 -0.483 -5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.683 -0.447 -4.794 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.688 0.978 -5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.274 0.234 -3.033 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.410 -1.074 -2.768 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.275 0.706 -2.677 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.013 1.923 -2.675 1.00 0.00 H new ATOM 0 HE ARG A 56 9.217 0.226 -0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.172 1.839 -1.546 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.737 2.052 0.114 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.941 0.499 1.527 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.485 1.300 1.839 1.00 0.00 H new ATOM 1908 N LYS A 57 8.298 -0.095 -7.704 1.00 0.00 N ATOM 1909 CA LYS A 57 8.618 -0.012 -9.155 1.00 0.00 C ATOM 1910 C LYS A 57 10.066 0.439 -9.342 1.00 0.00 C ATOM 1911 O LYS A 57 10.829 0.514 -8.401 1.00 0.00 O ATOM 1912 CB LYS A 57 7.683 0.977 -9.833 1.00 0.00 C ATOM 1913 CG LYS A 57 7.829 2.345 -9.200 1.00 0.00 C ATOM 1914 CD LYS A 57 6.878 3.294 -9.908 1.00 0.00 C ATOM 1915 CE LYS A 57 6.974 4.672 -9.271 1.00 0.00 C ATOM 1916 NZ LYS A 57 6.251 5.672 -10.108 1.00 0.00 N ATOM 0 H LYS A 57 7.490 0.450 -7.404 1.00 0.00 H new ATOM 0 HA LYS A 57 8.488 -0.996 -9.605 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.910 1.034 -10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.652 0.635 -9.745 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.599 2.299 -8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.856 2.698 -9.289 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.127 3.353 -10.968 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.856 2.920 -9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.548 4.649 -8.268 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.020 4.961 -9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.927 6.371 -10.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.787 5.188 -10.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.534 6.155 -9.530 1.00 0.00 H new ATOM 1930 N VAL A 58 10.450 0.745 -10.551 1.00 0.00 N ATOM 1931 CA VAL A 58 11.847 1.197 -10.792 1.00 0.00 C ATOM 1932 C VAL A 58 12.079 2.492 -10.018 1.00 0.00 C ATOM 1933 O VAL A 58 11.226 3.356 -9.977 1.00 0.00 O ATOM 1934 CB VAL A 58 12.046 1.467 -12.285 1.00 0.00 C ATOM 1935 CG1 VAL A 58 13.485 1.926 -12.535 1.00 0.00 C ATOM 1936 CG2 VAL A 58 11.767 0.190 -13.082 1.00 0.00 C ATOM 0 H VAL A 58 9.857 0.701 -11.380 1.00 0.00 H new ATOM 0 HA VAL A 58 12.547 0.428 -10.465 1.00 0.00 H new ATOM 0 HB VAL A 58 11.356 2.248 -12.606 1.00 0.00 H new ATOM 0 HG11 VAL A 58 13.626 2.118 -13.599 1.00 0.00 H new ATOM 0 HG12 VAL A 58 13.678 2.839 -11.972 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.176 1.148 -12.212 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.910 0.386 -14.145 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.452 -0.595 -12.763 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.740 -0.131 -12.907 1.00 0.00 H new ATOM 1946 N SER A 59 13.220 2.648 -9.407 1.00 0.00 N ATOM 1947 CA SER A 59 13.476 3.905 -8.649 1.00 0.00 C ATOM 1948 C SER A 59 13.974 4.973 -9.620 1.00 0.00 C ATOM 1949 O SER A 59 14.883 4.741 -10.392 1.00 0.00 O ATOM 1950 CB SER A 59 14.534 3.657 -7.573 1.00 0.00 C ATOM 1951 OG SER A 59 15.722 3.173 -8.185 1.00 0.00 O ATOM 0 H SER A 59 13.980 1.967 -9.399 1.00 0.00 H new ATOM 0 HA SER A 59 12.556 4.238 -8.169 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.741 4.580 -7.030 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.166 2.934 -6.845 1.00 0.00 H new ATOM 0 HG SER A 59 15.727 3.423 -9.133 1.00 0.00 H new ATOM 1957 N SER A 60 13.383 6.141 -9.593 1.00 0.00 N ATOM 1958 CA SER A 60 13.818 7.232 -10.521 1.00 0.00 C ATOM 1959 C SER A 60 13.900 8.552 -9.758 1.00 0.00 C ATOM 1960 O SER A 60 12.945 8.990 -9.147 1.00 0.00 O ATOM 1961 CB SER A 60 12.801 7.372 -11.657 1.00 0.00 C ATOM 1962 OG SER A 60 13.226 8.411 -12.531 1.00 0.00 O ATOM 0 H SER A 60 12.616 6.388 -8.967 1.00 0.00 H new ATOM 0 HA SER A 60 14.797 6.985 -10.931 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.714 6.433 -12.203 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.814 7.599 -11.254 1.00 0.00 H new ATOM 0 HG SER A 60 12.581 8.507 -13.263 1.00 0.00 H new ATOM 1968 N LYS A 61 15.041 9.192 -9.799 1.00 0.00 N ATOM 1969 CA LYS A 61 15.220 10.501 -9.094 1.00 0.00 C ATOM 1970 C LYS A 61 15.358 11.598 -10.153 1.00 0.00 C ATOM 1971 O LYS A 61 16.097 11.460 -11.107 1.00 0.00 O ATOM 1972 CB LYS A 61 16.495 10.453 -8.231 1.00 0.00 C ATOM 1973 CG LYS A 61 16.214 9.779 -6.878 1.00 0.00 C ATOM 1974 CD LYS A 61 16.013 8.272 -7.062 1.00 0.00 C ATOM 1975 CE LYS A 61 16.040 7.583 -5.697 1.00 0.00 C ATOM 1976 NZ LYS A 61 17.411 7.677 -5.120 1.00 0.00 N ATOM 0 H LYS A 61 15.867 8.860 -10.297 1.00 0.00 H new ATOM 0 HA LYS A 61 14.365 10.703 -8.449 1.00 0.00 H new ATOM 0 HB2 LYS A 61 17.277 9.907 -8.759 1.00 0.00 H new ATOM 0 HB3 LYS A 61 16.867 11.464 -8.068 1.00 0.00 H new ATOM 0 HG2 LYS A 61 17.044 9.961 -6.195 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.326 10.218 -6.424 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.063 8.079 -7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 61 16.796 7.865 -7.702 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.319 8.051 -5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.748 6.538 -5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 17.572 6.878 -4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 18.113 7.649 -5.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 17.506 8.570 -4.596 1.00 0.00 H new ATOM 1990 N GLY A 62 14.650 12.683 -10.002 1.00 0.00 N ATOM 1991 CA GLY A 62 14.746 13.776 -11.012 1.00 0.00 C ATOM 1992 C GLY A 62 16.218 14.101 -11.278 1.00 0.00 C ATOM 1993 O GLY A 62 16.851 14.813 -10.526 1.00 0.00 O ATOM 0 H GLY A 62 14.011 12.860 -9.227 1.00 0.00 H new ATOM 0 HA2 GLY A 62 14.257 13.473 -11.938 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.226 14.664 -10.652 1.00 0.00 H new ATOM 1997 N LYS A 63 16.769 13.584 -12.344 1.00 0.00 N ATOM 1998 CA LYS A 63 18.199 13.867 -12.652 1.00 0.00 C ATOM 1999 C LYS A 63 18.332 15.340 -13.028 1.00 0.00 C ATOM 2000 O LYS A 63 19.297 15.998 -12.694 1.00 0.00 O ATOM 2001 CB LYS A 63 18.653 13.001 -13.829 1.00 0.00 C ATOM 2002 CG LYS A 63 18.468 11.517 -13.489 1.00 0.00 C ATOM 2003 CD LYS A 63 19.451 11.087 -12.392 1.00 0.00 C ATOM 2004 CE LYS A 63 19.574 9.562 -12.386 1.00 0.00 C ATOM 2005 NZ LYS A 63 20.374 9.131 -11.205 1.00 0.00 N ATOM 0 H LYS A 63 16.291 12.980 -13.013 1.00 0.00 H new ATOM 0 HA LYS A 63 18.818 13.642 -11.783 1.00 0.00 H new ATOM 0 HB2 LYS A 63 18.078 13.253 -14.720 1.00 0.00 H new ATOM 0 HB3 LYS A 63 19.700 13.203 -14.057 1.00 0.00 H new ATOM 0 HG2 LYS A 63 17.445 11.339 -13.158 1.00 0.00 H new ATOM 0 HG3 LYS A 63 18.624 10.912 -14.382 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.427 11.540 -12.565 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.104 11.438 -11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.584 9.107 -12.353 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.051 9.222 -13.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.457 8.094 -11.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 21.323 9.554 -11.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.901 9.443 -10.333 1.00 0.00 H new ATOM 2019 N LYS A 64 17.357 15.864 -13.720 1.00 0.00 N ATOM 2020 CA LYS A 64 17.396 17.298 -14.122 1.00 0.00 C ATOM 2021 C LYS A 64 15.971 17.848 -14.128 1.00 0.00 C ATOM 2022 O LYS A 64 15.026 17.137 -14.405 1.00 0.00 O ATOM 2023 CB LYS A 64 17.997 17.413 -15.527 1.00 0.00 C ATOM 2024 CG LYS A 64 17.234 16.495 -16.491 1.00 0.00 C ATOM 2025 CD LYS A 64 17.695 16.755 -17.930 1.00 0.00 C ATOM 2026 CE LYS A 64 19.098 16.181 -18.150 1.00 0.00 C ATOM 2027 NZ LYS A 64 19.364 16.087 -19.613 1.00 0.00 N ATOM 0 H LYS A 64 16.528 15.355 -14.026 1.00 0.00 H new ATOM 0 HA LYS A 64 18.007 17.866 -13.421 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.943 18.445 -15.873 1.00 0.00 H new ATOM 0 HB3 LYS A 64 19.052 17.138 -15.506 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.406 15.452 -16.227 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.162 16.673 -16.405 1.00 0.00 H new ATOM 0 HD2 LYS A 64 16.995 16.301 -18.631 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.697 17.826 -18.131 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.843 16.817 -17.673 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.178 15.196 -17.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.316 15.698 -19.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.658 15.464 -20.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 19.304 17.034 -20.038 1.00 0.00 H new ATOM 2041 N ARG A 65 15.802 19.105 -13.833 1.00 0.00 N ATOM 2042 CA ARG A 65 14.429 19.680 -13.833 1.00 0.00 C ATOM 2043 C ARG A 65 14.522 21.206 -13.939 1.00 0.00 C ATOM 2044 O ARG A 65 15.388 21.828 -13.356 1.00 0.00 O ATOM 2045 CB ARG A 65 13.708 19.264 -12.524 1.00 0.00 C ATOM 2046 CG ARG A 65 12.261 18.817 -12.805 1.00 0.00 C ATOM 2047 CD ARG A 65 11.396 20.027 -13.169 1.00 0.00 C ATOM 2048 NE ARG A 65 11.551 21.108 -12.136 1.00 0.00 N ATOM 2049 CZ ARG A 65 11.264 20.907 -10.876 1.00 0.00 C ATOM 2050 NH1 ARG A 65 10.703 19.794 -10.492 1.00 0.00 N ATOM 2051 NH2 ARG A 65 11.497 21.848 -10.002 1.00 0.00 N ATOM 0 H ARG A 65 16.550 19.756 -13.593 1.00 0.00 H new ATOM 0 HA ARG A 65 13.860 19.305 -14.684 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.256 18.452 -12.046 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.704 20.101 -11.826 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.248 18.093 -13.620 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.850 18.317 -11.928 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.684 20.407 -14.149 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.350 19.728 -13.238 1.00 0.00 H new ATOM 0 HE ARG A 65 11.890 22.025 -12.426 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.484 19.070 -11.177 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.483 19.647 -9.507 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.901 22.735 -10.303 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.275 21.696 -9.018 1.00 0.00 H new ATOM 2065 N ARG A 66 13.633 21.809 -14.677 1.00 0.00 N ATOM 2066 CA ARG A 66 13.658 23.289 -14.821 1.00 0.00 C ATOM 2067 C ARG A 66 12.264 23.781 -15.214 1.00 0.00 C ATOM 2068 O ARG A 66 11.414 22.942 -15.466 1.00 0.00 O ATOM 2069 CB ARG A 66 14.666 23.680 -15.904 1.00 0.00 C ATOM 2070 CG ARG A 66 14.327 22.961 -17.211 1.00 0.00 C ATOM 2071 CD ARG A 66 15.395 23.284 -18.260 1.00 0.00 C ATOM 2072 NE ARG A 66 15.435 24.754 -18.497 1.00 0.00 N ATOM 2073 CZ ARG A 66 16.457 25.291 -19.107 1.00 0.00 C ATOM 2074 NH1 ARG A 66 17.454 24.543 -19.497 1.00 0.00 N ATOM 2075 NH2 ARG A 66 16.485 26.578 -19.321 1.00 0.00 N ATOM 2076 OXT ARG A 66 12.069 24.984 -15.253 1.00 0.00 O ATOM 0 H ARG A 66 12.887 21.337 -15.189 1.00 0.00 H new ATOM 0 HA ARG A 66 13.952 23.745 -13.875 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.649 24.759 -16.057 1.00 0.00 H new ATOM 0 HB3 ARG A 66 15.675 23.419 -15.586 1.00 0.00 H new ATOM 0 HG2 ARG A 66 14.278 21.885 -17.045 1.00 0.00 H new ATOM 0 HG3 ARG A 66 13.345 23.274 -17.567 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.370 22.934 -17.921 1.00 0.00 H new ATOM 0 HD3 ARG A 66 15.175 22.761 -19.191 1.00 0.00 H new ATOM 0 HE ARG A 66 14.663 25.342 -18.182 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.435 23.538 -19.325 1.00 0.00 H new ATOM 0 HH12 ARG A 66 18.252 24.964 -19.973 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.709 27.163 -19.012 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.283 26.999 -19.797 1.00 0.00 H new TER 2090 ARG A 66 HETATM 2091 ZN ZN A 67 -12.344 3.039 1.812 1.00 0.00 ZN