USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=34 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 16 THR OG1 : rot -140:sc= -0.897 USER MOD Set 1.2: A 29 ASN : amide:sc= -4.04! C(o=-6.4!,f=-9!) USER MOD Set 1.3: C 125 DT C7 :methyl 150:sc= -1.46 (180deg=-0.291) USER MOD Single : A 1 LYS N :NH3+ -158:sc= -0.101 (180deg=-0.653) USER MOD Single : A 1 LYS NZ :NH3+ 164:sc=-0.00715 (180deg=-0.271) USER MOD Single : A 5 THR OG1 : rot 35:sc= -0.839 USER MOD Single : A 8 SER OG : rot 81:sc= 0.701 USER MOD Single : A 9 ASN : amide:sc= -3.86! C(o=-3.9!,f=-3.1!) USER MOD Single : A 11 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.19) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.0111 USER MOD Single : A 14 THR OG1 : rot 57:sc= -0.0258! USER MOD Single : A 15 THR OG1 : rot -138:sc= 0.851 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= -0.296 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= -0.583 K(o=-0.58,f=-0.0048) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 41 ASN : amide:sc= -0.637 K(o=-0.64,f=-8!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 167:sc= -2 (180deg=-2.72!) USER MOD Single : A 48 LYS NZ :NH3+ -151:sc= -0.27 (180deg=-1.43!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 55 ASN : amide:sc=-0.00729 X(o=-0.0073,f=-0.34) USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 0.909 (180deg=0.696) USER MOD Single : A 59 SER OG : rot 61:sc= 1.2 USER MOD Single : A 60 SER OG : rot -72:sc= 0.486 USER MOD Single : A 61 LYS NZ :NH3+ 143:sc= -0.102 (180deg=-1.55!) USER MOD Single : A 63 LYS NZ :NH3+ -139:sc= -1.63 (180deg=-4.35!) USER MOD Single : A 64 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.271) USER MOD Single : B 101 DG O5' : rot 180:sc= 0 USER MOD Single : B 102 DT C7 :methyl -30:sc= -0.705 (180deg=-1.55) USER MOD Single : B 103 DT C7 :methyl -30:sc= -2.02! (180deg=-2.43!) USER MOD Single : B 109 DT C7 :methyl -30:sc= -2.28! (180deg=-2.67!) USER MOD Single : B 115 DT C7 :methyl -30:sc= -0.988 (180deg=-1.21) USER MOD Single : B 116 DT C7 :methyl 150:sc= -0.935 (180deg=-0.935) USER MOD Single : B 116 DT O3' : rot 180:sc= 0 USER MOD Single : C 117 DA O5' : rot 83:sc= -1.57! USER MOD Single : C 119 DT C7 :methyl -30:sc= -0.938 (180deg=-1.31) USER MOD Single : C 121 DT C7 :methyl -30:sc= -0.956 (180deg=-1.16) USER MOD Single : C 122 DT C7 :methyl 150:sc= -0.839 (180deg=-0.839) USER MOD Single : C 123 DT C7 :methyl -30:sc= -1.95 (180deg=-5.22!) USER MOD Single : C 127 DT C7 :methyl -30:sc= -1.76 (180deg=-1.9!) USER MOD Single : C 132 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG B 101 19.578 19.584 9.905 1.00 0.00 O ATOM 2 C5' DG B 101 19.841 18.998 11.181 1.00 0.00 C ATOM 3 C4' DG B 101 18.592 18.323 11.758 1.00 0.00 C ATOM 4 O4' DG B 101 17.634 19.325 12.173 1.00 0.00 O ATOM 5 C3' DG B 101 17.905 17.407 10.733 1.00 0.00 C ATOM 6 O3' DG B 101 17.657 16.110 11.290 1.00 0.00 O ATOM 7 C2' DG B 101 16.596 18.083 10.408 1.00 0.00 C ATOM 8 C1' DG B 101 16.392 19.159 11.460 1.00 0.00 C ATOM 9 N9 DG B 101 15.960 20.426 10.845 1.00 0.00 N ATOM 10 C8 DG B 101 16.523 21.130 9.819 1.00 0.00 C ATOM 11 N7 DG B 101 15.909 22.231 9.503 1.00 0.00 N ATOM 12 C5 DG B 101 14.841 22.264 10.398 1.00 0.00 C ATOM 13 C6 DG B 101 13.806 23.224 10.550 1.00 0.00 C ATOM 14 O6 DG B 101 13.621 24.255 9.907 1.00 0.00 O ATOM 15 N1 DG B 101 12.933 22.871 11.574 1.00 0.00 N ATOM 16 C2 DG B 101 13.040 21.738 12.352 1.00 0.00 C ATOM 17 N2 DG B 101 12.115 21.576 13.297 1.00 0.00 N ATOM 18 N3 DG B 101 14.008 20.836 12.210 1.00 0.00 N ATOM 19 C4 DG B 101 14.869 21.161 11.221 1.00 0.00 C ATOM 0 H5' DG B 101 20.192 19.766 11.870 1.00 0.00 H new ATOM 0 H5'' DG B 101 20.642 18.264 11.087 1.00 0.00 H new ATOM 0 H4' DG B 101 18.921 17.722 12.605 1.00 0.00 H new ATOM 0 H3' DG B 101 18.528 17.261 9.851 1.00 0.00 H new ATOM 0 H2' DG B 101 16.622 18.518 9.409 1.00 0.00 H new ATOM 0 H2'' DG B 101 15.775 17.366 10.423 1.00 0.00 H new ATOM 0 HO5' DG B 101 20.394 20.008 9.565 1.00 0.00 H new ATOM 0 H1' DG B 101 15.604 18.860 12.151 1.00 0.00 H new ATOM 0 H8 DG B 101 17.414 20.796 9.307 1.00 0.00 H new ATOM 0 H1 DG B 101 12.153 23.500 11.764 1.00 0.00 H new ATOM 0 H21 DG B 101 12.143 20.756 13.903 1.00 0.00 H new ATOM 0 H22 DG B 101 11.378 22.272 13.414 1.00 0.00 H new ATOM 32 P DT B 102 16.916 14.963 10.428 1.00 0.00 P ATOM 33 OP1 DT B 102 17.487 13.654 10.807 1.00 0.00 O ATOM 34 OP2 DT B 102 16.917 15.387 9.007 1.00 0.00 O ATOM 35 O5' DT B 102 15.394 15.027 10.970 1.00 0.00 O ATOM 36 C5' DT B 102 15.121 14.788 12.354 1.00 0.00 C ATOM 37 C4' DT B 102 13.626 14.890 12.698 1.00 0.00 C ATOM 38 O4' DT B 102 13.169 16.268 12.623 1.00 0.00 O ATOM 39 C3' DT B 102 12.746 14.058 11.757 1.00 0.00 C ATOM 40 O3' DT B 102 12.009 13.086 12.498 1.00 0.00 O ATOM 41 C2' DT B 102 11.785 15.031 11.119 1.00 0.00 C ATOM 42 C1' DT B 102 11.940 16.348 11.861 1.00 0.00 C ATOM 43 N1 DT B 102 11.961 17.502 10.927 1.00 0.00 N ATOM 44 C2 DT B 102 10.988 18.484 11.067 1.00 0.00 C ATOM 45 O2 DT B 102 10.099 18.407 11.912 1.00 0.00 O ATOM 46 N3 DT B 102 11.070 19.549 10.191 1.00 0.00 N ATOM 47 C4 DT B 102 12.020 19.716 9.199 1.00 0.00 C ATOM 48 O4 DT B 102 12.001 20.707 8.475 1.00 0.00 O ATOM 49 C5 DT B 102 12.986 18.645 9.122 1.00 0.00 C ATOM 50 C7 DT B 102 14.074 18.703 8.043 1.00 0.00 C ATOM 51 C6 DT B 102 12.927 17.596 9.972 1.00 0.00 C ATOM 0 H5' DT B 102 15.677 15.506 12.957 1.00 0.00 H new ATOM 0 H5'' DT B 102 15.483 13.796 12.624 1.00 0.00 H new ATOM 0 H4' DT B 102 13.530 14.503 13.712 1.00 0.00 H new ATOM 0 H3' DT B 102 13.349 13.531 11.018 1.00 0.00 H new ATOM 0 H2' DT B 102 12.007 15.156 10.059 1.00 0.00 H new ATOM 0 H2'' DT B 102 10.761 14.665 11.189 1.00 0.00 H new ATOM 0 H1' DT B 102 11.089 16.510 12.522 1.00 0.00 H new ATOM 0 H3 DT B 102 10.365 20.280 10.284 1.00 0.00 H new ATOM 0 H71 DT B 102 13.694 19.235 7.171 1.00 0.00 H new ATOM 0 H72 DT B 102 14.947 19.225 8.434 1.00 0.00 H new ATOM 0 H73 DT B 102 14.355 17.690 7.755 1.00 0.00 H new ATOM 0 H6 DT B 102 13.665 16.812 9.892 1.00 0.00 H new ATOM 64 P DT B 103 11.000 12.073 11.755 1.00 0.00 P ATOM 65 OP1 DT B 103 10.840 10.870 12.598 1.00 0.00 O ATOM 66 OP2 DT B 103 11.434 11.941 10.346 1.00 0.00 O ATOM 67 O5' DT B 103 9.613 12.904 11.788 1.00 0.00 O ATOM 68 C5' DT B 103 9.045 13.282 13.044 1.00 0.00 C ATOM 69 C4' DT B 103 7.734 14.072 12.899 1.00 0.00 C ATOM 70 O4' DT B 103 8.000 15.395 12.381 1.00 0.00 O ATOM 71 C3' DT B 103 6.723 13.391 11.962 1.00 0.00 C ATOM 72 O3' DT B 103 5.520 13.089 12.677 1.00 0.00 O ATOM 73 C2' DT B 103 6.430 14.405 10.875 1.00 0.00 C ATOM 74 C1' DT B 103 7.069 15.717 11.328 1.00 0.00 C ATOM 75 N1 DT B 103 7.763 16.413 10.211 1.00 0.00 N ATOM 76 C2 DT B 103 7.359 17.702 9.880 1.00 0.00 C ATOM 77 O2 DT B 103 6.429 18.264 10.457 1.00 0.00 O ATOM 78 N3 DT B 103 8.066 18.318 8.864 1.00 0.00 N ATOM 79 C4 DT B 103 9.122 17.771 8.156 1.00 0.00 C ATOM 80 O4 DT B 103 9.683 18.414 7.272 1.00 0.00 O ATOM 81 C5 DT B 103 9.470 16.429 8.562 1.00 0.00 C ATOM 82 C7 DT B 103 10.624 15.715 7.849 1.00 0.00 C ATOM 83 C6 DT B 103 8.792 15.808 9.556 1.00 0.00 C ATOM 0 H5' DT B 103 9.766 13.885 13.596 1.00 0.00 H new ATOM 0 H5'' DT B 103 8.859 12.386 13.636 1.00 0.00 H new ATOM 0 H4' DT B 103 7.300 14.119 13.898 1.00 0.00 H new ATOM 0 H3' DT B 103 7.113 12.457 11.556 1.00 0.00 H new ATOM 0 H2' DT B 103 6.843 14.081 9.920 1.00 0.00 H new ATOM 0 H2'' DT B 103 5.356 14.524 10.734 1.00 0.00 H new ATOM 0 H1' DT B 103 6.297 16.401 11.681 1.00 0.00 H new ATOM 0 H3 DT B 103 7.783 19.265 8.612 1.00 0.00 H new ATOM 0 H71 DT B 103 10.693 16.071 6.821 1.00 0.00 H new ATOM 0 H72 DT B 103 11.559 15.925 8.369 1.00 0.00 H new ATOM 0 H73 DT B 103 10.443 14.640 7.849 1.00 0.00 H new ATOM 0 H6 DT B 103 9.075 14.805 9.837 1.00 0.00 H new ATOM 96 P DG B 104 4.352 12.176 12.036 1.00 0.00 P ATOM 97 OP1 DG B 104 3.601 11.548 13.148 1.00 0.00 O ATOM 98 OP2 DG B 104 4.965 11.322 10.996 1.00 0.00 O ATOM 99 O5' DG B 104 3.364 13.226 11.297 1.00 0.00 O ATOM 100 C5' DG B 104 2.714 14.259 12.045 1.00 0.00 C ATOM 101 C4' DG B 104 1.816 15.152 11.172 1.00 0.00 C ATOM 102 O4' DG B 104 2.619 15.958 10.282 1.00 0.00 O ATOM 103 C3' DG B 104 0.862 14.316 10.306 1.00 0.00 C ATOM 104 O3' DG B 104 -0.467 14.852 10.363 1.00 0.00 O ATOM 105 C2' DG B 104 1.391 14.446 8.903 1.00 0.00 C ATOM 106 C1' DG B 104 2.296 15.668 8.901 1.00 0.00 C ATOM 107 N9 DG B 104 3.524 15.444 8.112 1.00 0.00 N ATOM 108 C8 DG B 104 4.407 14.401 8.148 1.00 0.00 C ATOM 109 N7 DG B 104 5.416 14.503 7.335 1.00 0.00 N ATOM 110 C5 DG B 104 5.190 15.719 6.695 1.00 0.00 C ATOM 111 C6 DG B 104 5.958 16.379 5.696 1.00 0.00 C ATOM 112 O6 DG B 104 7.007 16.010 5.177 1.00 0.00 O ATOM 113 N1 DG B 104 5.380 17.585 5.322 1.00 0.00 N ATOM 114 C2 DG B 104 4.209 18.097 5.840 1.00 0.00 C ATOM 115 N2 DG B 104 3.810 19.270 5.347 1.00 0.00 N ATOM 116 N3 DG B 104 3.485 17.481 6.779 1.00 0.00 N ATOM 117 C4 DG B 104 4.033 16.301 7.159 1.00 0.00 C ATOM 0 H5' DG B 104 3.468 14.877 12.534 1.00 0.00 H new ATOM 0 H5'' DG B 104 2.112 13.807 12.833 1.00 0.00 H new ATOM 0 H4' DG B 104 1.241 15.781 11.851 1.00 0.00 H new ATOM 0 H3' DG B 104 0.815 13.281 10.645 1.00 0.00 H new ATOM 0 H2' DG B 104 1.943 13.553 8.611 1.00 0.00 H new ATOM 0 H2'' DG B 104 0.576 14.564 8.189 1.00 0.00 H new ATOM 0 H1' DG B 104 1.784 16.509 8.432 1.00 0.00 H new ATOM 0 H8 DG B 104 4.276 13.554 8.804 1.00 0.00 H new ATOM 0 H1 DG B 104 5.859 18.135 4.609 1.00 0.00 H new ATOM 0 H21 DG B 104 2.951 19.702 5.689 1.00 0.00 H new ATOM 0 H22 DG B 104 4.363 19.736 4.628 1.00 0.00 H new ATOM 129 P DC B 105 -1.687 14.145 9.576 1.00 0.00 P ATOM 130 OP1 DC B 105 -2.944 14.505 10.270 1.00 0.00 O ATOM 131 OP2 DC B 105 -1.340 12.717 9.393 1.00 0.00 O ATOM 132 O5' DC B 105 -1.716 14.839 8.115 1.00 0.00 O ATOM 133 C5' DC B 105 -1.986 16.240 7.972 1.00 0.00 C ATOM 134 C4' DC B 105 -1.977 16.694 6.500 1.00 0.00 C ATOM 135 O4' DC B 105 -0.640 16.685 5.939 1.00 0.00 O ATOM 136 C3' DC B 105 -2.859 15.782 5.632 1.00 0.00 C ATOM 137 O3' DC B 105 -3.926 16.533 5.040 1.00 0.00 O ATOM 138 C2' DC B 105 -1.941 15.233 4.563 1.00 0.00 C ATOM 139 C1' DC B 105 -0.648 16.034 4.647 1.00 0.00 C ATOM 140 N1 DC B 105 0.562 15.178 4.471 1.00 0.00 N ATOM 141 C2 DC B 105 1.429 15.462 3.416 1.00 0.00 C ATOM 142 O2 DC B 105 1.175 16.380 2.639 1.00 0.00 O ATOM 143 N3 DC B 105 2.554 14.705 3.279 1.00 0.00 N ATOM 144 C4 DC B 105 2.823 13.715 4.135 1.00 0.00 C ATOM 145 N4 DC B 105 3.927 12.984 3.965 1.00 0.00 N ATOM 146 C5 DC B 105 1.939 13.422 5.222 1.00 0.00 C ATOM 147 C6 DC B 105 0.827 14.176 5.344 1.00 0.00 C ATOM 0 H5' DC B 105 -1.242 16.809 8.529 1.00 0.00 H new ATOM 0 H5'' DC B 105 -2.957 16.467 8.413 1.00 0.00 H new ATOM 0 H4' DC B 105 -2.367 17.712 6.495 1.00 0.00 H new ATOM 0 H3' DC B 105 -3.319 14.986 6.218 1.00 0.00 H new ATOM 0 H2' DC B 105 -1.751 14.172 4.723 1.00 0.00 H new ATOM 0 H2'' DC B 105 -2.394 15.330 3.576 1.00 0.00 H new ATOM 0 H1' DC B 105 -0.611 16.764 3.838 1.00 0.00 H new ATOM 0 H41 DC B 105 4.142 12.226 4.613 1.00 0.00 H new ATOM 0 H42 DC B 105 4.556 13.184 3.187 1.00 0.00 H new ATOM 0 H5 DC B 105 2.154 12.626 5.919 1.00 0.00 H new ATOM 0 H6 DC B 105 0.137 13.978 6.151 1.00 0.00 H new ATOM 159 P DA B 106 -5.003 15.816 4.083 1.00 0.00 P ATOM 160 OP1 DA B 106 -6.289 16.540 4.212 1.00 0.00 O ATOM 161 OP2 DA B 106 -4.956 14.359 4.340 1.00 0.00 O ATOM 162 O5' DA B 106 -4.423 16.079 2.603 1.00 0.00 O ATOM 163 C5' DA B 106 -4.287 17.415 2.111 1.00 0.00 C ATOM 164 C4' DA B 106 -3.717 17.446 0.689 1.00 0.00 C ATOM 165 O4' DA B 106 -2.319 17.059 0.680 1.00 0.00 O ATOM 166 C3' DA B 106 -4.477 16.493 -0.243 1.00 0.00 C ATOM 167 O3' DA B 106 -5.013 17.217 -1.346 1.00 0.00 O ATOM 168 C2' DA B 106 -3.443 15.494 -0.734 1.00 0.00 C ATOM 169 C1' DA B 106 -2.083 16.029 -0.308 1.00 0.00 C ATOM 170 N9 DA B 106 -1.231 14.959 0.236 1.00 0.00 N ATOM 171 C8 DA B 106 -1.494 14.139 1.272 1.00 0.00 C ATOM 172 N7 DA B 106 -0.543 13.311 1.590 1.00 0.00 N ATOM 173 C5 DA B 106 0.451 13.609 0.659 1.00 0.00 C ATOM 174 C6 DA B 106 1.731 13.084 0.437 1.00 0.00 C ATOM 175 N6 DA B 106 2.276 12.129 1.192 1.00 0.00 N ATOM 176 N1 DA B 106 2.442 13.601 -0.576 1.00 0.00 N ATOM 177 C2 DA B 106 1.933 14.577 -1.325 1.00 0.00 C ATOM 178 N3 DA B 106 0.737 15.151 -1.198 1.00 0.00 N ATOM 179 C4 DA B 106 0.041 14.611 -0.176 1.00 0.00 C ATOM 0 H5' DA B 106 -3.635 17.982 2.776 1.00 0.00 H new ATOM 0 H5'' DA B 106 -5.260 17.907 2.123 1.00 0.00 H new ATOM 0 H4' DA B 106 -3.826 18.471 0.334 1.00 0.00 H new ATOM 0 H3' DA B 106 -5.307 16.003 0.266 1.00 0.00 H new ATOM 0 H2' DA B 106 -3.623 14.508 -0.305 1.00 0.00 H new ATOM 0 H2'' DA B 106 -3.494 15.385 -1.817 1.00 0.00 H new ATOM 0 H1' DA B 106 -1.551 16.437 -1.168 1.00 0.00 H new ATOM 0 H8 DA B 106 -2.434 14.167 1.804 1.00 0.00 H new ATOM 0 H61 DA B 106 3.213 11.785 0.982 1.00 0.00 H new ATOM 0 H62 DA B 106 1.756 11.742 1.979 1.00 0.00 H new ATOM 0 H2 DA B 106 2.559 14.944 -2.125 1.00 0.00 H new ATOM 191 P DG B 107 -5.860 16.461 -2.478 1.00 0.00 P ATOM 192 OP1 DG B 107 -6.723 17.452 -3.151 1.00 0.00 O ATOM 193 OP2 DG B 107 -6.447 15.233 -1.895 1.00 0.00 O ATOM 194 O5' DG B 107 -4.698 16.042 -3.498 1.00 0.00 O ATOM 195 C5' DG B 107 -3.895 17.046 -4.109 1.00 0.00 C ATOM 196 C4' DG B 107 -2.825 16.432 -5.007 1.00 0.00 C ATOM 197 O4' DG B 107 -1.782 15.791 -4.231 1.00 0.00 O ATOM 198 C3' DG B 107 -3.420 15.386 -5.953 1.00 0.00 C ATOM 199 O3' DG B 107 -3.254 15.801 -7.308 1.00 0.00 O ATOM 200 C2' DG B 107 -2.638 14.123 -5.688 1.00 0.00 C ATOM 201 C1' DG B 107 -1.449 14.522 -4.835 1.00 0.00 C ATOM 202 N9 DG B 107 -1.105 13.494 -3.815 1.00 0.00 N ATOM 203 C8 DG B 107 -1.825 13.034 -2.733 1.00 0.00 C ATOM 204 N7 DG B 107 -1.204 12.191 -1.978 1.00 0.00 N ATOM 205 C5 DG B 107 0.032 12.054 -2.589 1.00 0.00 C ATOM 206 C6 DG B 107 1.134 11.253 -2.209 1.00 0.00 C ATOM 207 O6 DG B 107 1.230 10.530 -1.226 1.00 0.00 O ATOM 208 N1 DG B 107 2.195 11.387 -3.095 1.00 0.00 N ATOM 209 C2 DG B 107 2.196 12.196 -4.208 1.00 0.00 C ATOM 210 N2 DG B 107 3.305 12.169 -4.950 1.00 0.00 N ATOM 211 N3 DG B 107 1.157 12.963 -4.569 1.00 0.00 N ATOM 212 C4 DG B 107 0.110 12.841 -3.716 1.00 0.00 C ATOM 0 H5' DG B 107 -3.421 17.654 -3.338 1.00 0.00 H new ATOM 0 H5'' DG B 107 -4.527 17.712 -4.696 1.00 0.00 H new ATOM 0 H4' DG B 107 -2.403 17.256 -5.583 1.00 0.00 H new ATOM 0 H3' DG B 107 -4.488 15.243 -5.790 1.00 0.00 H new ATOM 0 H2' DG B 107 -3.255 13.386 -5.173 1.00 0.00 H new ATOM 0 H2'' DG B 107 -2.310 13.667 -6.622 1.00 0.00 H new ATOM 0 H1' DG B 107 -0.555 14.608 -5.453 1.00 0.00 H new ATOM 0 H8 DG B 107 -2.836 13.356 -2.532 1.00 0.00 H new ATOM 0 H1 DG B 107 3.038 10.844 -2.906 1.00 0.00 H new ATOM 0 H21 DG B 107 3.371 12.745 -5.789 1.00 0.00 H new ATOM 0 H22 DG B 107 4.086 11.572 -4.678 1.00 0.00 H new ATOM 224 P DA B 108 -3.782 14.908 -8.536 1.00 0.00 P ATOM 225 OP1 DA B 108 -4.242 15.813 -9.615 1.00 0.00 O ATOM 226 OP2 DA B 108 -4.701 13.877 -7.999 1.00 0.00 O ATOM 227 O5' DA B 108 -2.442 14.170 -9.036 1.00 0.00 O ATOM 228 C5' DA B 108 -1.339 14.961 -9.484 1.00 0.00 C ATOM 229 C4' DA B 108 -0.144 14.111 -9.932 1.00 0.00 C ATOM 230 O4' DA B 108 0.487 13.456 -8.803 1.00 0.00 O ATOM 231 C3' DA B 108 -0.580 13.026 -10.914 1.00 0.00 C ATOM 232 O3' DA B 108 0.261 13.073 -12.067 1.00 0.00 O ATOM 233 C2' DA B 108 -0.419 11.726 -10.170 1.00 0.00 C ATOM 234 C1' DA B 108 0.491 12.019 -8.989 1.00 0.00 C ATOM 235 N9 DA B 108 0.047 11.331 -7.754 1.00 0.00 N ATOM 236 C8 DA B 108 -1.168 11.371 -7.127 1.00 0.00 C ATOM 237 N7 DA B 108 -1.227 10.744 -5.990 1.00 0.00 N ATOM 238 C5 DA B 108 0.061 10.231 -5.849 1.00 0.00 C ATOM 239 C6 DA B 108 0.668 9.460 -4.853 1.00 0.00 C ATOM 240 N6 DA B 108 0.058 9.108 -3.730 1.00 0.00 N ATOM 241 N1 DA B 108 1.948 9.117 -5.027 1.00 0.00 N ATOM 242 C2 DA B 108 2.609 9.508 -6.105 1.00 0.00 C ATOM 243 N3 DA B 108 2.140 10.246 -7.111 1.00 0.00 N ATOM 244 C4 DA B 108 0.842 10.575 -6.916 1.00 0.00 C ATOM 0 H5' DA B 108 -1.025 15.627 -8.680 1.00 0.00 H new ATOM 0 H5'' DA B 108 -1.662 15.591 -10.312 1.00 0.00 H new ATOM 0 H4' DA B 108 0.560 14.791 -10.411 1.00 0.00 H new ATOM 0 H3' DA B 108 -1.607 13.151 -11.259 1.00 0.00 H new ATOM 0 H2' DA B 108 -1.385 11.349 -9.832 1.00 0.00 H new ATOM 0 H2'' DA B 108 0.014 10.961 -10.814 1.00 0.00 H new ATOM 0 H1' DA B 108 1.495 11.646 -9.194 1.00 0.00 H new ATOM 0 H8 DA B 108 -2.018 11.887 -7.547 1.00 0.00 H new ATOM 0 H61 DA B 108 0.550 8.544 -3.037 1.00 0.00 H new ATOM 0 H62 DA B 108 -0.904 9.401 -3.559 1.00 0.00 H new ATOM 0 H2 DA B 108 3.640 9.195 -6.177 1.00 0.00 H new ATOM 256 P DT B 109 0.069 12.060 -13.297 1.00 0.00 P ATOM 257 OP1 DT B 109 0.406 12.781 -14.545 1.00 0.00 O ATOM 258 OP2 DT B 109 -1.254 11.409 -13.156 1.00 0.00 O ATOM 259 O5' DT B 109 1.205 10.958 -13.032 1.00 0.00 O ATOM 260 C5' DT B 109 2.574 11.361 -12.988 1.00 0.00 C ATOM 261 C4' DT B 109 3.511 10.182 -12.726 1.00 0.00 C ATOM 262 O4' DT B 109 3.353 9.713 -11.368 1.00 0.00 O ATOM 263 C3' DT B 109 3.228 9.006 -13.674 1.00 0.00 C ATOM 264 O3' DT B 109 4.379 8.701 -14.458 1.00 0.00 O ATOM 265 C2' DT B 109 2.909 7.830 -12.778 1.00 0.00 C ATOM 266 C1' DT B 109 3.180 8.280 -11.344 1.00 0.00 C ATOM 267 N1 DT B 109 2.065 7.896 -10.432 1.00 0.00 N ATOM 268 C2 DT B 109 2.351 7.073 -9.350 1.00 0.00 C ATOM 269 O2 DT B 109 3.477 6.625 -9.150 1.00 0.00 O ATOM 270 N3 DT B 109 1.296 6.785 -8.509 1.00 0.00 N ATOM 271 C4 DT B 109 0.001 7.241 -8.644 1.00 0.00 C ATOM 272 O4 DT B 109 -0.855 6.951 -7.819 1.00 0.00 O ATOM 273 C5 DT B 109 -0.214 8.080 -9.796 1.00 0.00 C ATOM 274 C7 DT B 109 -1.624 8.627 -10.046 1.00 0.00 C ATOM 275 C6 DT B 109 0.805 8.375 -10.641 1.00 0.00 C ATOM 0 H5' DT B 109 2.706 12.110 -12.207 1.00 0.00 H new ATOM 0 H5'' DT B 109 2.843 11.835 -13.932 1.00 0.00 H new ATOM 0 H4' DT B 109 4.527 10.539 -12.896 1.00 0.00 H new ATOM 0 H3' DT B 109 2.415 9.242 -14.361 1.00 0.00 H new ATOM 0 H2' DT B 109 1.870 7.524 -12.897 1.00 0.00 H new ATOM 0 H2'' DT B 109 3.526 6.969 -13.036 1.00 0.00 H new ATOM 0 H1' DT B 109 4.076 7.790 -10.962 1.00 0.00 H new ATOM 0 H3 DT B 109 1.492 6.178 -7.713 1.00 0.00 H new ATOM 0 H71 DT B 109 -2.361 7.925 -9.657 1.00 0.00 H new ATOM 0 H72 DT B 109 -1.736 9.587 -9.542 1.00 0.00 H new ATOM 0 H73 DT B 109 -1.779 8.759 -11.117 1.00 0.00 H new ATOM 0 H6 DT B 109 0.615 9.003 -11.499 1.00 0.00 H new ATOM 288 P DA B 110 4.302 7.627 -15.660 1.00 0.00 P ATOM 289 OP1 DA B 110 5.411 7.899 -16.600 1.00 0.00 O ATOM 290 OP2 DA B 110 2.907 7.588 -16.154 1.00 0.00 O ATOM 291 O5' DA B 110 4.611 6.240 -14.901 1.00 0.00 O ATOM 292 C5' DA B 110 5.852 6.068 -14.216 1.00 0.00 C ATOM 293 C4' DA B 110 5.971 4.695 -13.551 1.00 0.00 C ATOM 294 O4' DA B 110 5.002 4.581 -12.473 1.00 0.00 O ATOM 295 C3' DA B 110 5.694 3.546 -14.517 1.00 0.00 C ATOM 296 O3' DA B 110 6.683 2.537 -14.314 1.00 0.00 O ATOM 297 C2' DA B 110 4.324 3.028 -14.162 1.00 0.00 C ATOM 298 C1' DA B 110 4.017 3.552 -12.765 1.00 0.00 C ATOM 299 N9 DA B 110 2.635 4.087 -12.676 1.00 0.00 N ATOM 300 C8 DA B 110 1.997 4.964 -13.506 1.00 0.00 C ATOM 301 N7 DA B 110 0.775 5.250 -13.177 1.00 0.00 N ATOM 302 C5 DA B 110 0.573 4.501 -12.021 1.00 0.00 C ATOM 303 C6 DA B 110 -0.529 4.359 -11.167 1.00 0.00 C ATOM 304 N6 DA B 110 -1.684 4.997 -11.354 1.00 0.00 N ATOM 305 N1 DA B 110 -0.395 3.537 -10.112 1.00 0.00 N ATOM 306 C2 DA B 110 0.754 2.893 -9.906 1.00 0.00 C ATOM 307 N3 DA B 110 1.860 2.956 -10.652 1.00 0.00 N ATOM 308 C4 DA B 110 1.697 3.787 -11.704 1.00 0.00 C ATOM 0 H5' DA B 110 5.955 6.845 -13.458 1.00 0.00 H new ATOM 0 H5'' DA B 110 6.673 6.199 -14.921 1.00 0.00 H new ATOM 0 H4' DA B 110 6.997 4.622 -13.190 1.00 0.00 H new ATOM 0 H3' DA B 110 5.730 3.854 -15.562 1.00 0.00 H new ATOM 0 H2' DA B 110 3.580 3.374 -14.879 1.00 0.00 H new ATOM 0 H2'' DA B 110 4.303 1.938 -14.182 1.00 0.00 H new ATOM 0 H1' DA B 110 4.075 2.746 -12.034 1.00 0.00 H new ATOM 0 H8 DA B 110 2.476 5.390 -14.375 1.00 0.00 H new ATOM 0 H61 DA B 110 -2.455 4.857 -10.701 1.00 0.00 H new ATOM 0 H62 DA B 110 -1.797 5.625 -12.150 1.00 0.00 H new ATOM 0 H2 DA B 110 0.795 2.249 -9.040 1.00 0.00 H new ATOM 320 P DA B 111 6.708 1.168 -15.158 1.00 0.00 P ATOM 321 OP1 DA B 111 8.116 0.746 -15.323 1.00 0.00 O ATOM 322 OP2 DA B 111 5.832 1.325 -16.342 1.00 0.00 O ATOM 323 O5' DA B 111 6.000 0.165 -14.127 1.00 0.00 O ATOM 324 C5' DA B 111 6.603 -0.041 -12.848 1.00 0.00 C ATOM 325 C4' DA B 111 5.777 -0.959 -11.949 1.00 0.00 C ATOM 326 O4' DA B 111 4.521 -0.328 -11.604 1.00 0.00 O ATOM 327 C3' DA B 111 5.470 -2.306 -12.610 1.00 0.00 C ATOM 328 O3' DA B 111 5.998 -3.359 -11.810 1.00 0.00 O ATOM 329 C2' DA B 111 3.964 -2.406 -12.650 1.00 0.00 C ATOM 330 C1' DA B 111 3.418 -1.217 -11.867 1.00 0.00 C ATOM 331 N9 DA B 111 2.358 -0.535 -12.631 1.00 0.00 N ATOM 332 C8 DA B 111 2.415 0.001 -13.882 1.00 0.00 C ATOM 333 N7 DA B 111 1.303 0.513 -14.317 1.00 0.00 N ATOM 334 C5 DA B 111 0.426 0.299 -13.259 1.00 0.00 C ATOM 335 C6 DA B 111 -0.923 0.604 -13.077 1.00 0.00 C ATOM 336 N6 DA B 111 -1.653 1.228 -13.999 1.00 0.00 N ATOM 337 N1 DA B 111 -1.484 0.251 -11.909 1.00 0.00 N ATOM 338 C2 DA B 111 -0.759 -0.366 -10.976 1.00 0.00 C ATOM 339 N3 DA B 111 0.524 -0.703 -11.048 1.00 0.00 N ATOM 340 C4 DA B 111 1.058 -0.337 -12.227 1.00 0.00 C ATOM 0 H5' DA B 111 6.736 0.922 -12.354 1.00 0.00 H new ATOM 0 H5'' DA B 111 7.596 -0.469 -12.984 1.00 0.00 H new ATOM 0 H4' DA B 111 6.378 -1.138 -11.058 1.00 0.00 H new ATOM 0 H3' DA B 111 5.909 -2.382 -13.605 1.00 0.00 H new ATOM 0 H2' DA B 111 3.603 -2.389 -13.679 1.00 0.00 H new ATOM 0 H2'' DA B 111 3.628 -3.345 -12.210 1.00 0.00 H new ATOM 0 H1' DA B 111 2.972 -1.548 -10.929 1.00 0.00 H new ATOM 0 H8 DA B 111 3.321 0.000 -14.471 1.00 0.00 H new ATOM 0 H61 DA B 111 -2.637 1.430 -13.820 1.00 0.00 H new ATOM 0 H62 DA B 111 -1.229 1.504 -14.884 1.00 0.00 H new ATOM 0 H2 DA B 111 -1.271 -0.620 -10.060 1.00 0.00 H new ATOM 352 P DA B 112 5.847 -4.905 -12.225 1.00 0.00 P ATOM 353 OP1 DA B 112 6.904 -5.684 -11.543 1.00 0.00 O ATOM 354 OP2 DA B 112 5.699 -4.984 -13.695 1.00 0.00 O ATOM 355 O5' DA B 112 4.434 -5.265 -11.557 1.00 0.00 O ATOM 356 C5' DA B 112 4.260 -5.134 -10.151 1.00 0.00 C ATOM 357 C4' DA B 112 2.846 -5.508 -9.716 1.00 0.00 C ATOM 358 O4' DA B 112 1.905 -4.533 -10.249 1.00 0.00 O ATOM 359 C3' DA B 112 2.416 -6.880 -10.243 1.00 0.00 C ATOM 360 O3' DA B 112 1.835 -7.652 -9.175 1.00 0.00 O ATOM 361 C2' DA B 112 1.411 -6.604 -11.325 1.00 0.00 C ATOM 362 C1' DA B 112 0.923 -5.184 -11.096 1.00 0.00 C ATOM 363 N9 DA B 112 0.724 -4.467 -12.383 1.00 0.00 N ATOM 364 C8 DA B 112 1.567 -4.339 -13.455 1.00 0.00 C ATOM 365 N7 DA B 112 1.102 -3.631 -14.439 1.00 0.00 N ATOM 366 C5 DA B 112 -0.163 -3.260 -13.994 1.00 0.00 C ATOM 367 C6 DA B 112 -1.184 -2.499 -14.573 1.00 0.00 C ATOM 368 N6 DA B 112 -1.080 -1.932 -15.776 1.00 0.00 N ATOM 369 N1 DA B 112 -2.309 -2.330 -13.859 1.00 0.00 N ATOM 370 C2 DA B 112 -2.424 -2.876 -12.648 1.00 0.00 C ATOM 371 N3 DA B 112 -1.519 -3.612 -12.010 1.00 0.00 N ATOM 372 C4 DA B 112 -0.403 -3.765 -12.747 1.00 0.00 C ATOM 0 H5' DA B 112 4.472 -4.107 -9.853 1.00 0.00 H new ATOM 0 H5'' DA B 112 4.979 -5.771 -9.635 1.00 0.00 H new ATOM 0 H4' DA B 112 2.846 -5.529 -8.626 1.00 0.00 H new ATOM 0 H3' DA B 112 3.256 -7.457 -10.631 1.00 0.00 H new ATOM 0 H2' DA B 112 1.863 -6.706 -12.312 1.00 0.00 H new ATOM 0 H2'' DA B 112 0.584 -7.312 -11.278 1.00 0.00 H new ATOM 0 H1' DA B 112 -0.052 -5.180 -10.608 1.00 0.00 H new ATOM 0 H8 DA B 112 2.546 -4.794 -13.480 1.00 0.00 H new ATOM 0 H61 DA B 112 -1.856 -1.387 -16.152 1.00 0.00 H new ATOM 0 H62 DA B 112 -0.225 -2.044 -16.320 1.00 0.00 H new ATOM 0 H2 DA B 112 -3.354 -2.701 -12.128 1.00 0.00 H new ATOM 384 P DC B 113 1.283 -9.149 -9.423 1.00 0.00 P ATOM 385 OP1 DC B 113 1.532 -9.946 -8.201 1.00 0.00 O ATOM 386 OP2 DC B 113 1.800 -9.619 -10.727 1.00 0.00 O ATOM 387 O5' DC B 113 -0.311 -8.925 -9.561 1.00 0.00 O ATOM 388 C5' DC B 113 -1.031 -8.357 -8.459 1.00 0.00 C ATOM 389 C4' DC B 113 -2.536 -8.200 -8.729 1.00 0.00 C ATOM 390 O4' DC B 113 -2.787 -7.147 -9.692 1.00 0.00 O ATOM 391 C3' DC B 113 -3.181 -9.480 -9.265 1.00 0.00 C ATOM 392 O3' DC B 113 -4.270 -9.855 -8.420 1.00 0.00 O ATOM 393 C2' DC B 113 -3.692 -9.142 -10.643 1.00 0.00 C ATOM 394 C1' DC B 113 -3.617 -7.632 -10.774 1.00 0.00 C ATOM 395 N1 DC B 113 -3.052 -7.210 -12.081 1.00 0.00 N ATOM 396 C2 DC B 113 -3.809 -6.367 -12.892 1.00 0.00 C ATOM 397 O2 DC B 113 -4.964 -6.081 -12.583 1.00 0.00 O ATOM 398 N3 DC B 113 -3.241 -5.883 -14.027 1.00 0.00 N ATOM 399 C4 DC B 113 -1.987 -6.205 -14.358 1.00 0.00 C ATOM 400 N4 DC B 113 -1.460 -5.688 -15.465 1.00 0.00 N ATOM 401 C5 DC B 113 -1.207 -7.077 -13.531 1.00 0.00 C ATOM 402 C6 DC B 113 -1.786 -7.557 -12.413 1.00 0.00 C ATOM 0 H5' DC B 113 -0.608 -7.381 -8.223 1.00 0.00 H new ATOM 0 H5'' DC B 113 -0.891 -8.986 -7.580 1.00 0.00 H new ATOM 0 H4' DC B 113 -2.978 -7.956 -7.763 1.00 0.00 H new ATOM 0 H3' DC B 113 -2.475 -10.310 -9.294 1.00 0.00 H new ATOM 0 H2' DC B 113 -3.089 -9.628 -11.410 1.00 0.00 H new ATOM 0 H2'' DC B 113 -4.716 -9.492 -10.773 1.00 0.00 H new ATOM 0 H1' DC B 113 -4.622 -7.214 -10.723 1.00 0.00 H new ATOM 0 H41 DC B 113 -0.504 -5.923 -15.733 1.00 0.00 H new ATOM 0 H42 DC B 113 -2.012 -5.057 -16.046 1.00 0.00 H new ATOM 0 H5 DC B 113 -0.193 -7.340 -13.794 1.00 0.00 H new ATOM 0 H6 DC B 113 -1.233 -8.228 -11.773 1.00 0.00 H new ATOM 414 P DA B 114 -5.153 -11.165 -8.720 1.00 0.00 P ATOM 415 OP1 DA B 114 -5.756 -11.619 -7.448 1.00 0.00 O ATOM 416 OP2 DA B 114 -4.332 -12.096 -9.524 1.00 0.00 O ATOM 417 O5' DA B 114 -6.332 -10.587 -9.661 1.00 0.00 O ATOM 418 C5' DA B 114 -7.207 -9.562 -9.172 1.00 0.00 C ATOM 419 C4' DA B 114 -8.258 -9.148 -10.209 1.00 0.00 C ATOM 420 O4' DA B 114 -7.652 -8.415 -11.305 1.00 0.00 O ATOM 421 C3' DA B 114 -8.986 -10.355 -10.802 1.00 0.00 C ATOM 422 O3' DA B 114 -10.384 -10.244 -10.543 1.00 0.00 O ATOM 423 C2' DA B 114 -8.728 -10.307 -12.287 1.00 0.00 C ATOM 424 C1' DA B 114 -8.059 -8.977 -12.576 1.00 0.00 C ATOM 425 N9 DA B 114 -6.907 -9.133 -13.483 1.00 0.00 N ATOM 426 C8 DA B 114 -5.782 -9.857 -13.296 1.00 0.00 C ATOM 427 N7 DA B 114 -4.895 -9.771 -14.243 1.00 0.00 N ATOM 428 C5 DA B 114 -5.498 -8.905 -15.154 1.00 0.00 C ATOM 429 C6 DA B 114 -5.088 -8.388 -16.391 1.00 0.00 C ATOM 430 N6 DA B 114 -3.908 -8.667 -16.950 1.00 0.00 N ATOM 431 N1 DA B 114 -5.933 -7.562 -17.025 1.00 0.00 N ATOM 432 C2 DA B 114 -7.110 -7.258 -16.480 1.00 0.00 C ATOM 433 N3 DA B 114 -7.594 -7.686 -15.318 1.00 0.00 N ATOM 434 C4 DA B 114 -6.727 -8.513 -14.701 1.00 0.00 C ATOM 0 H5' DA B 114 -6.618 -8.690 -8.888 1.00 0.00 H new ATOM 0 H5'' DA B 114 -7.709 -9.915 -8.271 1.00 0.00 H new ATOM 0 H4' DA B 114 -8.971 -8.518 -9.678 1.00 0.00 H new ATOM 0 H3' DA B 114 -8.638 -11.293 -10.369 1.00 0.00 H new ATOM 0 H2' DA B 114 -8.090 -11.135 -12.595 1.00 0.00 H new ATOM 0 H2'' DA B 114 -9.660 -10.399 -12.844 1.00 0.00 H new ATOM 0 H1' DA B 114 -8.756 -8.310 -13.084 1.00 0.00 H new ATOM 0 H8 DA B 114 -5.629 -10.467 -12.418 1.00 0.00 H new ATOM 0 H61 DA B 114 -3.663 -8.261 -17.853 1.00 0.00 H new ATOM 0 H62 DA B 114 -3.252 -9.286 -16.474 1.00 0.00 H new ATOM 0 H2 DA B 114 -7.742 -6.589 -17.045 1.00 0.00 H new ATOM 446 P DT B 115 -11.419 -11.366 -11.045 1.00 0.00 P ATOM 447 OP1 DT B 115 -12.622 -11.323 -10.185 1.00 0.00 O ATOM 448 OP2 DT B 115 -10.678 -12.636 -11.223 1.00 0.00 O ATOM 449 O5' DT B 115 -11.808 -10.804 -12.498 1.00 0.00 O ATOM 450 C5' DT B 115 -12.415 -9.515 -12.615 1.00 0.00 C ATOM 451 C4' DT B 115 -12.623 -9.110 -14.073 1.00 0.00 C ATOM 452 O4' DT B 115 -11.341 -8.877 -14.709 1.00 0.00 O ATOM 453 C3' DT B 115 -13.359 -10.190 -14.874 1.00 0.00 C ATOM 454 O3' DT B 115 -14.605 -9.686 -15.364 1.00 0.00 O ATOM 455 C2' DT B 115 -12.455 -10.517 -16.043 1.00 0.00 C ATOM 456 C1' DT B 115 -11.296 -9.525 -15.997 1.00 0.00 C ATOM 457 N1 DT B 115 -9.984 -10.205 -16.230 1.00 0.00 N ATOM 458 C2 DT B 115 -9.220 -9.799 -17.317 1.00 0.00 C ATOM 459 O2 DT B 115 -9.587 -8.904 -18.071 1.00 0.00 O ATOM 460 N3 DT B 115 -8.019 -10.458 -17.501 1.00 0.00 N ATOM 461 C4 DT B 115 -7.517 -11.474 -16.709 1.00 0.00 C ATOM 462 O4 DT B 115 -6.436 -11.998 -16.973 1.00 0.00 O ATOM 463 C5 DT B 115 -8.373 -11.833 -15.600 1.00 0.00 C ATOM 464 C7 DT B 115 -7.919 -12.943 -14.645 1.00 0.00 C ATOM 465 C6 DT B 115 -9.556 -11.200 -15.401 1.00 0.00 C ATOM 0 H5' DT B 115 -11.789 -8.773 -12.119 1.00 0.00 H new ATOM 0 H5'' DT B 115 -13.375 -9.518 -12.099 1.00 0.00 H new ATOM 0 H4' DT B 115 -13.228 -8.204 -14.066 1.00 0.00 H new ATOM 0 H3' DT B 115 -13.574 -11.064 -14.259 1.00 0.00 H new ATOM 0 H2' DT B 115 -12.090 -11.542 -15.974 1.00 0.00 H new ATOM 0 H2'' DT B 115 -12.997 -10.435 -16.985 1.00 0.00 H new ATOM 0 H1' DT B 115 -11.393 -8.787 -16.793 1.00 0.00 H new ATOM 0 H3 DT B 115 -7.450 -10.167 -18.296 1.00 0.00 H new ATOM 0 H71 DT B 115 -7.300 -13.658 -15.187 1.00 0.00 H new ATOM 0 H72 DT B 115 -7.342 -12.508 -13.829 1.00 0.00 H new ATOM 0 H73 DT B 115 -8.792 -13.453 -14.239 1.00 0.00 H new ATOM 0 H6 DT B 115 -10.175 -11.491 -14.565 1.00 0.00 H new ATOM 478 P DT B 116 -15.677 -10.664 -16.062 1.00 0.00 P ATOM 479 OP1 DT B 116 -17.015 -10.043 -15.939 1.00 0.00 O ATOM 480 OP2 DT B 116 -15.452 -12.040 -15.564 1.00 0.00 O ATOM 481 O5' DT B 116 -15.244 -10.609 -17.609 1.00 0.00 O ATOM 482 C5' DT B 116 -15.318 -9.382 -18.333 1.00 0.00 C ATOM 483 C4' DT B 116 -14.681 -9.506 -19.719 1.00 0.00 C ATOM 484 O4' DT B 116 -13.254 -9.736 -19.601 1.00 0.00 O ATOM 485 C3' DT B 116 -15.284 -10.666 -20.530 1.00 0.00 C ATOM 486 O3' DT B 116 -16.000 -10.174 -21.664 1.00 0.00 O ATOM 487 C2' DT B 116 -14.108 -11.508 -20.977 1.00 0.00 C ATOM 488 C1' DT B 116 -12.846 -10.817 -20.467 1.00 0.00 C ATOM 489 N1 DT B 116 -11.967 -11.786 -19.754 1.00 0.00 N ATOM 490 C2 DT B 116 -10.693 -12.016 -20.257 1.00 0.00 C ATOM 491 O2 DT B 116 -10.270 -11.433 -21.254 1.00 0.00 O ATOM 492 N3 DT B 116 -9.920 -12.932 -19.571 1.00 0.00 N ATOM 493 C4 DT B 116 -10.296 -13.632 -18.441 1.00 0.00 C ATOM 494 O4 DT B 116 -9.523 -14.430 -17.917 1.00 0.00 O ATOM 495 C5 DT B 116 -11.635 -13.335 -17.980 1.00 0.00 C ATOM 496 C7 DT B 116 -12.172 -14.062 -16.743 1.00 0.00 C ATOM 497 C6 DT B 116 -12.413 -12.438 -18.639 1.00 0.00 C ATOM 0 H5' DT B 116 -14.815 -8.596 -17.770 1.00 0.00 H new ATOM 0 H5'' DT B 116 -16.361 -9.082 -18.437 1.00 0.00 H new ATOM 0 H4' DT B 116 -14.879 -8.568 -20.238 1.00 0.00 H new ATOM 0 H3' DT B 116 -15.992 -11.241 -19.934 1.00 0.00 H new ATOM 0 H2' DT B 116 -14.183 -12.519 -20.576 1.00 0.00 H new ATOM 0 H2'' DT B 116 -14.087 -11.596 -22.063 1.00 0.00 H new ATOM 0 HO3' DT B 116 -16.374 -10.927 -22.167 1.00 0.00 H new ATOM 0 H1' DT B 116 -12.265 -10.421 -21.300 1.00 0.00 H new ATOM 0 H3 DT B 116 -8.983 -13.108 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0.00 H new ATOM 542 P DA C 118 -0.234 -10.180 -25.684 1.00 0.00 P ATOM 543 OP1 DA C 118 0.540 -9.778 -26.882 1.00 0.00 O ATOM 544 OP2 DA C 118 0.459 -10.379 -24.391 1.00 0.00 O ATOM 545 O5' DA C 118 -1.413 -9.106 -25.460 1.00 0.00 O ATOM 546 C5' DA C 118 -2.321 -8.819 -26.525 1.00 0.00 C ATOM 547 C4' DA C 118 -3.372 -7.774 -26.131 1.00 0.00 C ATOM 548 O4' DA C 118 -4.284 -8.329 -25.141 1.00 0.00 O ATOM 549 C3' DA C 118 -2.745 -6.514 -25.525 1.00 0.00 C ATOM 550 O3' DA C 118 -3.137 -5.362 -26.267 1.00 0.00 O ATOM 551 C2' DA C 118 -3.266 -6.415 -24.115 1.00 0.00 C ATOM 552 C1' DA C 118 -4.308 -7.508 -23.944 1.00 0.00 C ATOM 553 N9 DA C 118 -4.034 -8.307 -22.736 1.00 0.00 N ATOM 554 C8 DA C 118 -2.888 -8.935 -22.389 1.00 0.00 C ATOM 555 N7 DA C 118 -2.924 -9.579 -21.260 1.00 0.00 N ATOM 556 C5 DA C 118 -4.225 -9.353 -20.811 1.00 0.00 C ATOM 557 C6 DA C 118 -4.918 -9.759 -19.662 1.00 0.00 C ATOM 558 N6 DA C 118 -4.371 -10.516 -18.710 1.00 0.00 N ATOM 559 N1 DA C 118 -6.192 -9.354 -19.530 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0.00 O ATOM 613 C3' DG C 120 -9.512 0.602 -19.316 1.00 0.00 C ATOM 614 O3' DG C 120 -10.786 0.914 -18.766 1.00 0.00 O ATOM 615 C2' DG C 120 -8.589 0.202 -18.194 1.00 0.00 C ATOM 616 C1' DG C 120 -8.384 -1.301 -18.298 1.00 0.00 C ATOM 617 N9 DG C 120 -6.964 -1.664 -18.124 1.00 0.00 N ATOM 618 C8 DG C 120 -5.879 -1.160 -18.759 1.00 0.00 C ATOM 619 N7 DG C 120 -4.738 -1.670 -18.411 1.00 0.00 N ATOM 620 C5 DG C 120 -5.092 -2.606 -17.446 1.00 0.00 C ATOM 621 C6 DG C 120 -4.270 -3.484 -16.690 1.00 0.00 C ATOM 622 O6 DG C 120 -3.047 -3.605 -16.727 1.00 0.00 O ATOM 623 N1 DG C 120 -5.021 -4.266 -15.823 1.00 0.00 N ATOM 624 C2 DG C 120 -6.393 -4.213 -15.694 1.00 0.00 C ATOM 625 N2 DG C 120 -6.930 -5.055 -14.807 1.00 0.00 N ATOM 626 N3 DG C 120 -7.174 -3.385 -16.405 1.00 0.00 N ATOM 627 C4 DG C 120 -6.457 -2.614 -17.260 1.00 0.00 C ATOM 0 H5' DG C 120 -9.053 -1.285 -22.190 1.00 0.00 H new ATOM 0 H5'' DG C 120 -9.789 0.305 -22.154 1.00 0.00 H new ATOM 0 H4' DG C 120 -10.670 -0.900 -20.337 1.00 0.00 H new ATOM 0 H3' DG C 120 -9.150 1.470 -19.868 1.00 0.00 H new ATOM 0 H2' DG C 120 -7.637 0.727 -18.273 1.00 0.00 H new ATOM 0 H2'' DG C 120 -9.020 0.466 -17.228 1.00 0.00 H new ATOM 0 H1' DG C 120 -8.926 -1.815 -17.504 1.00 0.00 H new ATOM 0 H8 DG C 120 -5.958 -0.384 -19.506 1.00 0.00 H new ATOM 0 H1 DG C 120 -4.519 -4.932 -15.236 1.00 0.00 H new ATOM 0 H21 DG C 120 -7.940 -5.068 -14.662 1.00 0.00 H new ATOM 0 H22 DG C 120 -6.330 -5.685 -14.275 1.00 0.00 H new ATOM 639 P DT C 121 -10.975 2.164 -17.774 1.00 0.00 P ATOM 640 OP1 DT C 121 -12.400 2.565 -17.781 1.00 0.00 O ATOM 641 OP2 DT C 121 -9.920 3.157 -18.070 1.00 0.00 O ATOM 642 O5' DT C 121 -10.642 1.477 -16.356 1.00 0.00 O ATOM 643 C5' DT C 121 -11.424 0.379 -15.892 1.00 0.00 C ATOM 644 C4' DT C 121 -10.807 -0.279 -14.652 1.00 0.00 C ATOM 645 O4' DT C 121 -9.580 -0.978 -14.993 1.00 0.00 O ATOM 646 C3' DT C 121 -10.469 0.749 -13.567 1.00 0.00 C ATOM 647 O3' DT C 121 -11.309 0.551 -12.432 1.00 0.00 O ATOM 648 C2' DT C 121 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DT C 121 -4.254 -2.001 -14.371 1.00 0.00 H new ATOM 0 H71 DT C 121 -4.351 1.996 -16.802 1.00 0.00 H new ATOM 0 H72 DT C 121 -5.572 1.338 -17.918 1.00 0.00 H new ATOM 0 H73 DT C 121 -6.048 2.520 -16.676 1.00 0.00 H new ATOM 0 H6 DT C 121 -7.683 1.083 -15.706 1.00 0.00 H new ATOM 671 P DT C 122 -11.193 1.491 -11.134 1.00 0.00 P ATOM 672 OP1 DT C 122 -12.487 1.454 -10.416 1.00 0.00 O ATOM 673 OP2 DT C 122 -10.615 2.788 -11.548 1.00 0.00 O ATOM 674 O5' DT C 122 -10.112 0.717 -10.238 1.00 0.00 O ATOM 675 C5' DT C 122 -10.371 -0.613 -9.804 1.00 0.00 C ATOM 676 C4' DT C 122 -9.216 -1.162 -8.968 1.00 0.00 C ATOM 677 O4' DT C 122 -8.047 -1.349 -9.801 1.00 0.00 O ATOM 678 C3' DT C 122 -8.840 -0.196 -7.833 1.00 0.00 C ATOM 679 O3' DT C 122 -9.034 -0.795 -6.563 1.00 0.00 O ATOM 680 C2' DT C 122 -7.372 0.088 -8.007 1.00 0.00 C ATOM 681 C1' DT C 122 -6.893 -0.736 -9.192 1.00 0.00 C ATOM 682 N1 DT C 122 -6.156 0.129 -10.164 1.00 0.00 N ATOM 683 C2 DT C 122 -4.832 -0.184 -10.443 1.00 0.00 C ATOM 684 O2 DT C 122 -4.273 -1.157 -9.942 1.00 0.00 O ATOM 685 N3 DT C 122 -4.179 0.653 -11.330 1.00 0.00 N ATOM 686 C4 DT C 122 -4.721 1.756 -11.961 1.00 0.00 C ATOM 687 O4 DT C 122 -4.042 2.439 -12.723 1.00 0.00 O ATOM 688 C5 DT C 122 -6.102 2.008 -11.623 1.00 0.00 C ATOM 689 C7 DT C 122 -6.817 3.192 -12.281 1.00 0.00 C ATOM 690 C6 DT C 122 -6.765 1.209 -10.752 1.00 0.00 C ATOM 0 H5' DT C 122 -10.532 -1.255 -10.670 1.00 0.00 H new ATOM 0 H5'' DT C 122 -11.289 -0.633 -9.217 1.00 0.00 H new ATOM 0 H4' DT C 122 -9.543 -2.111 -8.543 1.00 0.00 H new ATOM 0 H3' DT C 122 -9.458 0.701 -7.877 1.00 0.00 H new ATOM 0 H2' DT C 122 -7.204 1.150 -8.184 1.00 0.00 H new ATOM 0 H2'' DT C 122 -6.819 -0.177 -7.106 1.00 0.00 H new ATOM 0 H1' DT C 122 -6.199 -1.511 -8.865 1.00 0.00 H new ATOM 0 H3 DT C 122 -3.205 0.435 -11.538 1.00 0.00 H new ATOM 0 H71 DT C 122 -7.880 2.968 -12.376 1.00 0.00 H new ATOM 0 H72 DT C 122 -6.687 4.083 -11.666 1.00 0.00 H new ATOM 0 H73 DT C 122 -6.394 3.369 -13.270 1.00 0.00 H new ATOM 0 H6 DT C 122 -7.796 1.427 -10.515 1.00 0.00 H new ATOM 703 P DT C 123 -8.852 0.068 -5.220 1.00 0.00 P ATOM 704 OP1 DT C 123 -9.608 -0.585 -4.128 1.00 0.00 O ATOM 705 OP2 DT C 123 -9.112 1.485 -5.551 1.00 0.00 O ATOM 706 O5' DT C 123 -7.277 -0.096 -4.926 1.00 0.00 O ATOM 707 C5' DT C 123 -6.713 -1.387 -4.715 1.00 0.00 C ATOM 708 C4' DT C 123 -5.206 -1.321 -4.453 1.00 0.00 C ATOM 709 O4' DT C 123 -4.502 -0.902 -5.655 1.00 0.00 O ATOM 710 C3' DT C 123 -4.839 -0.321 -3.350 1.00 0.00 C ATOM 711 O3' DT C 123 -3.993 -0.981 -2.397 1.00 0.00 O ATOM 712 C2' DT C 123 -4.111 0.802 -4.030 1.00 0.00 C ATOM 713 C1' DT C 123 -3.653 0.235 -5.359 1.00 0.00 C ATOM 714 N1 DT C 123 -3.685 1.250 -6.460 1.00 0.00 N ATOM 715 C2 DT C 123 -2.504 1.472 -7.161 1.00 0.00 C ATOM 716 O2 DT C 123 -1.462 0.882 -6.880 1.00 0.00 O ATOM 717 N3 DT C 123 -2.561 2.396 -8.187 1.00 0.00 N ATOM 718 C4 DT C 123 -3.675 3.116 -8.573 1.00 0.00 C ATOM 719 O4 DT C 123 -3.613 3.910 -9.508 1.00 0.00 O ATOM 720 C5 DT C 123 -4.861 2.834 -7.796 1.00 0.00 C ATOM 721 C7 DT C 123 -6.151 3.598 -8.111 1.00 0.00 C ATOM 722 C6 DT C 123 -4.837 1.928 -6.786 1.00 0.00 C ATOM 0 H5' DT C 123 -6.902 -2.012 -5.588 1.00 0.00 H new ATOM 0 H5'' DT C 123 -7.207 -1.864 -3.869 1.00 0.00 H new ATOM 0 H4' DT C 123 -4.914 -2.324 -4.142 1.00 0.00 H new ATOM 0 H3' DT C 123 -5.712 0.059 -2.819 1.00 0.00 H new ATOM 0 H2' DT C 123 -4.763 1.663 -4.174 1.00 0.00 H new ATOM 0 H2'' DT C 123 -3.264 1.140 -3.433 1.00 0.00 H new ATOM 0 H1' DT C 123 -2.610 -0.072 -5.287 1.00 0.00 H new ATOM 0 H3 DT C 123 -1.700 2.562 -8.708 1.00 0.00 H new ATOM 0 H71 DT C 123 -5.903 4.587 -8.497 1.00 0.00 H new ATOM 0 H72 DT C 123 -6.725 3.050 -8.859 1.00 0.00 H new ATOM 0 H73 DT C 123 -6.744 3.701 -7.202 1.00 0.00 H new ATOM 0 H6 DT C 123 -5.741 1.735 -6.227 1.00 0.00 H new ATOM 735 P DA C 124 -3.402 -0.244 -1.090 1.00 0.00 P ATOM 736 OP1 DA C 124 -3.518 -1.176 0.055 1.00 0.00 O ATOM 737 OP2 DA C 124 -4.010 1.101 -1.006 1.00 0.00 O ATOM 738 O5' DA C 124 -1.825 -0.061 -1.434 1.00 0.00 O ATOM 739 C5' DA C 124 -1.042 -1.237 -1.688 1.00 0.00 C ATOM 740 C4' DA C 124 0.450 -0.966 -1.991 1.00 0.00 C ATOM 741 O4' DA C 124 0.584 -0.188 -3.207 1.00 0.00 O ATOM 742 C3' DA C 124 1.124 -0.166 -0.864 1.00 0.00 C ATOM 743 O3' DA C 124 2.452 -0.642 -0.595 1.00 0.00 O ATOM 744 C2' DA C 124 1.212 1.242 -1.389 1.00 0.00 C ATOM 745 C1' DA C 124 1.083 1.136 -2.897 1.00 0.00 C ATOM 746 N9 DA C 124 0.198 2.177 -3.421 1.00 0.00 N ATOM 747 C8 DA C 124 -1.068 2.452 -3.052 1.00 0.00 C ATOM 748 N7 DA C 124 -1.648 3.404 -3.710 1.00 0.00 N ATOM 749 C5 DA C 124 -0.663 3.802 -4.606 1.00 0.00 C ATOM 750 C6 DA C 124 -0.635 4.780 -5.595 1.00 0.00 C ATOM 751 N6 DA C 124 -1.678 5.566 -5.858 1.00 0.00 N ATOM 752 N1 DA C 124 0.502 4.915 -6.301 1.00 0.00 N ATOM 753 C2 DA C 124 1.549 4.127 -6.046 1.00 0.00 C ATOM 754 N3 DA C 124 1.625 3.166 -5.130 1.00 0.00 N ATOM 755 C4 DA C 124 0.469 3.060 -4.439 1.00 0.00 C ATOM 0 H5' DA C 124 -1.479 -1.773 -2.531 1.00 0.00 H new ATOM 0 H5'' DA C 124 -1.109 -1.896 -0.822 1.00 0.00 H new ATOM 0 H4' DA C 124 0.929 -1.940 -2.091 1.00 0.00 H new ATOM 0 H3' DA C 124 0.559 -0.253 0.064 1.00 0.00 H new ATOM 0 H2' DA C 124 0.419 1.864 -0.973 1.00 0.00 H new ATOM 0 H2'' DA C 124 2.159 1.704 -1.110 1.00 0.00 H new ATOM 0 H1' DA C 124 2.053 1.285 -3.371 1.00 0.00 H new ATOM 0 H8 DA C 124 -1.566 1.914 -2.259 1.00 0.00 H new ATOM 0 H61 DA C 124 -1.613 6.271 -6.593 1.00 0.00 H new ATOM 0 H62 DA C 124 -2.541 5.463 -5.325 1.00 0.00 H new ATOM 0 H2 DA C 124 2.430 4.287 -6.649 1.00 0.00 H new ATOM 767 P DT C 125 3.348 0.063 0.557 1.00 0.00 P ATOM 768 OP1 DT C 125 4.348 -0.917 1.038 1.00 0.00 O ATOM 769 OP2 DT C 125 2.429 0.709 1.520 1.00 0.00 O ATOM 770 O5' DT C 125 4.128 1.225 -0.254 1.00 0.00 O ATOM 771 C5' DT C 125 5.082 0.878 -1.260 1.00 0.00 C ATOM 772 C4' DT C 125 5.676 2.099 -1.985 1.00 0.00 C ATOM 773 O4' DT C 125 4.686 2.722 -2.847 1.00 0.00 O ATOM 774 C3' DT C 125 6.197 3.188 -1.034 1.00 0.00 C ATOM 775 O3' DT C 125 7.595 3.402 -1.287 1.00 0.00 O ATOM 776 C2' DT C 125 5.404 4.429 -1.360 1.00 0.00 C ATOM 777 C1' DT C 125 4.773 4.159 -2.718 1.00 0.00 C ATOM 778 N1 DT C 125 3.443 4.821 -2.902 1.00 0.00 N ATOM 779 C2 DT C 125 3.278 5.636 -4.020 1.00 0.00 C ATOM 780 O2 DT C 125 4.188 5.824 -4.825 1.00 0.00 O ATOM 781 N3 DT C 125 2.037 6.219 -4.179 1.00 0.00 N ATOM 782 C4 DT C 125 0.953 6.065 -3.334 1.00 0.00 C ATOM 783 O4 DT C 125 -0.128 6.585 -3.595 1.00 0.00 O ATOM 784 C5 DT C 125 1.208 5.214 -2.199 1.00 0.00 C ATOM 785 C7 DT C 125 0.101 5.014 -1.168 1.00 0.00 C ATOM 786 C6 DT C 125 2.413 4.626 -2.019 1.00 0.00 C ATOM 0 H5' DT C 125 4.606 0.226 -1.992 1.00 0.00 H new ATOM 0 H5'' DT C 125 5.890 0.307 -0.803 1.00 0.00 H new ATOM 0 H4' DT C 125 6.515 1.703 -2.557 1.00 0.00 H new ATOM 0 H3' DT C 125 6.085 2.915 0.015 1.00 0.00 H new ATOM 0 H2' DT C 125 4.643 4.619 -0.604 1.00 0.00 H new ATOM 0 H2'' DT C 125 6.047 5.309 -1.393 1.00 0.00 H new ATOM 0 H1' DT C 125 5.391 4.592 -3.505 1.00 0.00 H new ATOM 0 H3 DT C 125 1.908 6.818 -4.994 1.00 0.00 H new ATOM 0 H71 DT C 125 0.198 4.026 -0.717 1.00 0.00 H new ATOM 0 H72 DT C 125 0.184 5.776 -0.393 1.00 0.00 H new ATOM 0 H73 DT C 125 -0.870 5.097 -1.656 1.00 0.00 H new ATOM 0 H6 DT C 125 2.567 3.989 -1.161 1.00 0.00 H new ATOM 799 P DC C 126 8.465 4.482 -0.467 1.00 0.00 P ATOM 800 OP1 DC C 126 9.826 3.929 -0.288 1.00 0.00 O ATOM 801 OP2 DC C 126 7.681 4.903 0.716 1.00 0.00 O ATOM 802 O5' DC C 126 8.558 5.742 -1.484 1.00 0.00 O ATOM 803 C5' DC C 126 9.231 5.588 -2.746 1.00 0.00 C ATOM 804 C4' DC C 126 9.234 6.875 -3.598 1.00 0.00 C ATOM 805 O4' DC C 126 7.914 7.158 -4.120 1.00 0.00 O ATOM 806 C3' DC C 126 9.710 8.091 -2.789 1.00 0.00 C ATOM 807 O3' DC C 126 10.925 8.610 -3.333 1.00 0.00 O ATOM 808 C2' DC C 126 8.606 9.122 -2.924 1.00 0.00 C ATOM 809 C1' DC C 126 7.518 8.511 -3.808 1.00 0.00 C ATOM 810 N1 DC C 126 6.212 8.503 -3.101 1.00 0.00 N ATOM 811 C2 DC C 126 5.130 9.175 -3.668 1.00 0.00 C ATOM 812 O2 DC C 126 5.265 9.782 -4.728 1.00 0.00 O ATOM 813 N3 DC C 126 3.936 9.137 -3.013 1.00 0.00 N ATOM 814 C4 DC C 126 3.806 8.470 -1.858 1.00 0.00 C ATOM 815 N4 DC C 126 2.629 8.446 -1.241 1.00 0.00 N ATOM 816 C5 DC C 126 4.913 7.783 -1.279 1.00 0.00 C ATOM 817 C6 DC C 126 6.085 7.828 -1.929 1.00 0.00 C ATOM 0 H5' DC C 126 8.751 4.788 -3.310 1.00 0.00 H new ATOM 0 H5'' DC C 126 10.260 5.278 -2.565 1.00 0.00 H new ATOM 0 H4' DC C 126 9.927 6.699 -4.421 1.00 0.00 H new ATOM 0 H3' DC C 126 9.906 7.829 -1.749 1.00 0.00 H new ATOM 0 H2' DC C 126 8.204 9.384 -1.946 1.00 0.00 H new ATOM 0 H2'' DC C 126 8.990 10.041 -3.367 1.00 0.00 H new ATOM 0 H1' DC C 126 7.403 9.100 -4.718 1.00 0.00 H new ATOM 0 H41 DC C 126 2.524 7.940 -0.362 1.00 0.00 H new ATOM 0 H42 DC C 126 1.830 8.934 -1.647 1.00 0.00 H new ATOM 0 H5 DC C 126 4.811 7.245 -0.348 1.00 0.00 H new ATOM 0 H6 DC C 126 6.942 7.319 -1.514 1.00 0.00 H new ATOM 829 P DT C 127 11.782 9.724 -2.536 1.00 0.00 P ATOM 830 OP1 DT C 127 13.148 9.738 -3.103 1.00 0.00 O ATOM 831 OP2 DT C 127 11.591 9.502 -1.086 1.00 0.00 O ATOM 832 O5' DT C 127 11.070 11.112 -2.931 1.00 0.00 O ATOM 833 C5' DT C 127 11.123 11.584 -4.275 1.00 0.00 C ATOM 834 C4' DT C 127 10.388 12.918 -4.444 1.00 0.00 C ATOM 835 O4' DT C 127 8.961 12.721 -4.313 1.00 0.00 O ATOM 836 C3' DT C 127 10.822 13.955 -3.394 1.00 0.00 C ATOM 837 O3' DT C 127 11.411 15.091 -4.027 1.00 0.00 O ATOM 838 C2' DT C 127 9.548 14.373 -2.684 1.00 0.00 C ATOM 839 C1' DT C 127 8.391 13.717 -3.439 1.00 0.00 C ATOM 840 N1 DT C 127 7.402 13.103 -2.501 1.00 0.00 N ATOM 841 C2 DT C 127 6.083 13.542 -2.564 1.00 0.00 C ATOM 842 O2 DT C 127 5.724 14.411 -3.357 1.00 0.00 O ATOM 843 N3 DT C 127 5.198 12.947 -1.686 1.00 0.00 N ATOM 844 C4 DT C 127 5.502 11.969 -0.760 1.00 0.00 C ATOM 845 O4 DT C 127 4.628 11.503 -0.032 1.00 0.00 O ATOM 846 C5 DT C 127 6.890 11.570 -0.753 1.00 0.00 C ATOM 847 C7 DT C 127 7.341 10.504 0.250 1.00 0.00 C ATOM 848 C6 DT C 127 7.783 12.131 -1.606 1.00 0.00 C ATOM 0 H5' DT C 127 10.681 10.840 -4.938 1.00 0.00 H new ATOM 0 H5'' DT C 127 12.164 11.703 -4.577 1.00 0.00 H new ATOM 0 H4' DT C 127 10.640 13.292 -5.436 1.00 0.00 H new ATOM 0 H3' DT C 127 11.561 13.541 -2.708 1.00 0.00 H new ATOM 0 H2' DT C 127 9.562 14.052 -1.642 1.00 0.00 H new ATOM 0 H2'' DT C 127 9.444 15.458 -2.682 1.00 0.00 H new ATOM 0 H1' DT C 127 7.845 14.466 -4.013 1.00 0.00 H new ATOM 0 H3 DT C 127 4.228 13.260 -1.726 1.00 0.00 H new ATOM 0 H71 DT C 127 6.721 10.561 1.145 1.00 0.00 H new ATOM 0 H72 DT C 127 7.241 9.516 -0.199 1.00 0.00 H new ATOM 0 H73 DT C 127 8.383 10.676 0.519 1.00 0.00 H new ATOM 0 H6 DT C 127 8.813 11.808 -1.582 1.00 0.00 H new ATOM 861 P DG C 128 12.054 16.283 -3.151 1.00 0.00 P ATOM 862 OP1 DG C 128 13.060 16.979 -3.987 1.00 0.00 O ATOM 863 OP2 DG C 128 12.442 15.732 -1.836 1.00 0.00 O ATOM 864 O5' DG C 128 10.806 17.280 -2.933 1.00 0.00 O ATOM 865 C5' DG C 128 10.151 17.862 -4.062 1.00 0.00 C ATOM 866 C4' DG C 128 8.952 18.732 -3.660 1.00 0.00 C ATOM 867 O4' DG C 128 7.878 17.904 -3.159 1.00 0.00 O ATOM 868 C3' DG C 128 9.314 19.757 -2.581 1.00 0.00 C ATOM 869 O3' DG C 128 9.137 21.078 -3.105 1.00 0.00 O ATOM 870 C2' DG C 128 8.355 19.500 -1.431 1.00 0.00 C ATOM 871 C1' DG C 128 7.414 18.386 -1.880 1.00 0.00 C ATOM 872 N9 DG C 128 7.383 17.295 -0.895 1.00 0.00 N ATOM 873 C8 DG C 128 8.418 16.556 -0.427 1.00 0.00 C ATOM 874 N7 DG C 128 8.103 15.636 0.434 1.00 0.00 N ATOM 875 C5 DG C 128 6.721 15.777 0.556 1.00 0.00 C ATOM 876 C6 DG C 128 5.798 15.051 1.355 1.00 0.00 C ATOM 877 O6 DG C 128 6.024 14.126 2.130 1.00 0.00 O ATOM 878 N1 DG C 128 4.501 15.515 1.179 1.00 0.00 N ATOM 879 C2 DG C 128 4.134 16.547 0.342 1.00 0.00 C ATOM 880 N2 DG C 128 2.839 16.860 0.326 1.00 0.00 N ATOM 881 N3 DG C 128 4.999 17.231 -0.413 1.00 0.00 N ATOM 882 C4 DG C 128 6.271 16.794 -0.256 1.00 0.00 C ATOM 0 H5' DG C 128 9.814 17.070 -4.731 1.00 0.00 H new ATOM 0 H5'' DG C 128 10.865 18.468 -4.620 1.00 0.00 H new ATOM 0 H4' DG C 128 8.640 19.267 -4.557 1.00 0.00 H new ATOM 0 H3' DG C 128 10.350 19.669 -2.253 1.00 0.00 H new ATOM 0 H2' DG C 128 8.899 19.208 -0.533 1.00 0.00 H new ATOM 0 H2'' DG C 128 7.796 20.403 -1.185 1.00 0.00 H new ATOM 0 H1' DG C 128 6.397 18.769 -1.967 1.00 0.00 H new ATOM 0 H8 DG C 128 9.436 16.721 -0.748 1.00 0.00 H new ATOM 0 H1 DG C 128 3.762 15.056 1.711 1.00 0.00 H new ATOM 0 H21 DG C 128 2.504 17.615 -0.273 1.00 0.00 H new ATOM 0 H22 DG C 128 2.183 16.345 0.913 1.00 0.00 H new ATOM 894 P DC C 129 9.676 22.377 -2.319 1.00 0.00 P ATOM 895 OP1 DC C 129 9.898 23.446 -3.319 1.00 0.00 O ATOM 896 OP2 DC C 129 10.789 21.948 -1.446 1.00 0.00 O ATOM 897 O5' DC C 129 8.445 22.823 -1.375 1.00 0.00 O ATOM 898 C5' DC C 129 7.183 23.192 -1.938 1.00 0.00 C ATOM 899 C4' DC C 129 6.169 23.579 -0.854 1.00 0.00 C ATOM 900 O4' DC C 129 5.758 22.416 -0.099 1.00 0.00 O ATOM 901 C3' DC C 129 6.756 24.602 0.130 1.00 0.00 C ATOM 902 O3' DC C 129 5.923 25.766 0.195 1.00 0.00 O ATOM 903 C2' DC C 129 6.769 23.914 1.472 1.00 0.00 C ATOM 904 C1' DC C 129 5.989 22.619 1.314 1.00 0.00 C ATOM 905 N1 DC C 129 6.708 21.447 1.900 1.00 0.00 N ATOM 906 C2 DC C 129 6.041 20.693 2.865 1.00 0.00 C ATOM 907 O2 DC C 129 4.917 21.031 3.238 1.00 0.00 O ATOM 908 N3 DC C 129 6.654 19.589 3.370 1.00 0.00 N ATOM 909 C4 DC C 129 7.874 19.230 2.955 1.00 0.00 C ATOM 910 N4 DC C 129 8.432 18.126 3.455 1.00 0.00 N ATOM 911 C5 DC C 129 8.574 19.998 1.969 1.00 0.00 C ATOM 912 C6 DC C 129 7.959 21.092 1.469 1.00 0.00 C ATOM 0 H5' DC C 129 6.790 22.362 -2.524 1.00 0.00 H new ATOM 0 H5'' DC C 129 7.321 24.029 -2.623 1.00 0.00 H new ATOM 0 H4' DC C 129 5.314 24.019 -1.368 1.00 0.00 H new ATOM 0 H3' DC C 129 7.751 24.925 -0.177 1.00 0.00 H new ATOM 0 H2' DC C 129 7.791 23.712 1.792 1.00 0.00 H new ATOM 0 H2'' DC C 129 6.315 24.547 2.235 1.00 0.00 H new ATOM 0 H1' DC C 129 5.047 22.701 1.857 1.00 0.00 H new ATOM 0 H41 DC C 129 9.362 17.840 3.148 1.00 0.00 H new ATOM 0 H42 DC C 129 7.929 17.568 4.145 1.00 0.00 H new ATOM 0 H5 DC C 129 9.561 19.712 1.636 1.00 0.00 H new ATOM 0 H6 DC C 129 8.458 21.692 0.723 1.00 0.00 H new ATOM 924 P DA C 130 6.341 27.038 1.096 1.00 0.00 P ATOM 925 OP1 DA C 130 5.682 28.237 0.533 1.00 0.00 O ATOM 926 OP2 DA C 130 7.813 27.023 1.254 1.00 0.00 O ATOM 927 O5' DA C 130 5.680 26.740 2.540 1.00 0.00 O ATOM 928 C5' DA C 130 4.262 26.624 2.701 1.00 0.00 C ATOM 929 C4' DA C 130 3.873 26.338 4.163 1.00 0.00 C ATOM 930 O4' DA C 130 4.250 24.991 4.555 1.00 0.00 O ATOM 931 C3' DA C 130 4.555 27.323 5.125 1.00 0.00 C ATOM 932 O3' DA C 130 3.589 28.001 5.931 1.00 0.00 O ATOM 933 C2' DA C 130 5.444 26.474 6.007 1.00 0.00 C ATOM 934 C1' DA C 130 5.065 25.021 5.752 1.00 0.00 C ATOM 935 N9 DA C 130 6.261 24.173 5.597 1.00 0.00 N ATOM 936 C8 DA C 130 7.280 24.322 4.724 1.00 0.00 C ATOM 937 N7 DA C 130 8.217 23.425 4.796 1.00 0.00 N ATOM 938 C5 DA C 130 7.776 22.597 5.820 1.00 0.00 C ATOM 939 C6 DA C 130 8.318 21.443 6.397 1.00 0.00 C ATOM 940 N6 DA C 130 9.471 20.902 6.000 1.00 0.00 N ATOM 941 N1 DA C 130 7.623 20.866 7.394 1.00 0.00 N ATOM 942 C2 DA C 130 6.466 21.391 7.800 1.00 0.00 C ATOM 943 N3 DA C 130 5.864 22.481 7.320 1.00 0.00 N ATOM 944 C4 DA C 130 6.583 23.040 6.320 1.00 0.00 C ATOM 0 H5' DA C 130 3.888 25.824 2.062 1.00 0.00 H new ATOM 0 H5'' DA C 130 3.782 27.545 2.371 1.00 0.00 H new ATOM 0 H4' DA C 130 2.791 26.452 4.224 1.00 0.00 H new ATOM 0 H3' DA C 130 5.112 28.085 4.580 1.00 0.00 H new ATOM 0 H2' DA C 130 6.495 26.645 5.774 1.00 0.00 H new ATOM 0 H2'' DA C 130 5.304 26.731 7.057 1.00 0.00 H new ATOM 0 H1' DA C 130 4.512 24.623 6.602 1.00 0.00 H new ATOM 0 H8 DA C 130 7.314 25.134 4.012 1.00 0.00 H new ATOM 0 H61 DA C 130 9.822 20.059 6.455 1.00 0.00 H new ATOM 0 H62 DA C 130 10.001 21.331 5.242 1.00 0.00 H new ATOM 0 H2 DA C 130 5.961 20.878 8.605 1.00 0.00 H new ATOM 956 P DA C 131 4.052 29.110 7.010 1.00 0.00 P ATOM 957 OP1 DA C 131 2.912 30.024 7.240 1.00 0.00 O ATOM 958 OP2 DA C 131 5.357 29.658 6.578 1.00 0.00 O ATOM 959 O5' DA C 131 4.285 28.238 8.354 1.00 0.00 O ATOM 960 C5' DA C 131 3.172 27.602 8.992 1.00 0.00 C ATOM 961 C4' DA C 131 3.561 26.815 10.254 1.00 0.00 C ATOM 962 O4' DA C 131 4.314 25.627 9.901 1.00 0.00 O ATOM 963 C3' DA C 131 4.415 27.630 11.235 1.00 0.00 C ATOM 964 O3' DA C 131 3.739 27.778 12.490 1.00 0.00 O ATOM 965 C2' DA C 131 5.671 26.828 11.453 1.00 0.00 C ATOM 966 C1' DA C 131 5.472 25.500 10.758 1.00 0.00 C ATOM 967 N9 DA C 131 6.671 25.113 10.004 1.00 0.00 N ATOM 968 C8 DA C 131 7.269 25.760 8.983 1.00 0.00 C ATOM 969 N7 DA C 131 8.321 25.170 8.490 1.00 0.00 N ATOM 970 C5 DA C 131 8.423 24.016 9.271 1.00 0.00 C ATOM 971 C6 DA C 131 9.324 22.940 9.280 1.00 0.00 C ATOM 972 N6 DA C 131 10.357 22.838 8.444 1.00 0.00 N ATOM 973 N1 DA C 131 9.123 21.972 10.194 1.00 0.00 N ATOM 974 C2 DA C 131 8.102 22.055 11.048 1.00 0.00 C ATOM 975 N3 DA C 131 7.197 23.025 11.122 1.00 0.00 N ATOM 976 C4 DA C 131 7.421 23.979 10.195 1.00 0.00 C ATOM 0 H5' DA C 131 2.694 26.925 8.283 1.00 0.00 H new ATOM 0 H5'' DA C 131 2.434 28.359 9.258 1.00 0.00 H new ATOM 0 H4' DA C 131 2.620 26.559 10.741 1.00 0.00 H new ATOM 0 H3' DA C 131 4.616 28.626 10.840 1.00 0.00 H new ATOM 0 H2' DA C 131 6.537 27.350 11.047 1.00 0.00 H new ATOM 0 H2'' DA C 131 5.856 26.683 12.517 1.00 0.00 H new ATOM 0 H1' DA C 131 5.306 24.707 11.487 1.00 0.00 H new ATOM 0 H8 DA C 131 6.902 26.701 8.601 1.00 0.00 H new ATOM 0 H61 DA C 131 10.979 22.031 8.498 1.00 0.00 H new ATOM 0 H62 DA C 131 10.525 23.567 7.750 1.00 0.00 H new ATOM 0 H2 DA C 131 8.000 21.246 11.756 1.00 0.00 H new ATOM 988 P DC C 132 4.416 28.594 13.705 1.00 0.00 P ATOM 989 OP1 DC C 132 3.340 29.086 14.594 1.00 0.00 O ATOM 990 OP2 DC C 132 5.395 29.549 13.136 1.00 0.00 O ATOM 991 O5' DC C 132 5.239 27.445 14.496 1.00 0.00 O ATOM 992 C5' DC C 132 4.563 26.290 15.014 1.00 0.00 C ATOM 993 C4' DC C 132 5.527 25.276 15.653 1.00 0.00 C ATOM 994 O4' DC C 132 6.326 24.606 14.649 1.00 0.00 O ATOM 995 C3' DC C 132 6.485 25.928 16.657 1.00 0.00 C ATOM 996 O3' DC C 132 6.167 25.532 17.995 1.00 0.00 O ATOM 997 C2' DC C 132 7.869 25.439 16.277 1.00 0.00 C ATOM 998 C1' DC C 132 7.698 24.501 15.095 1.00 0.00 C ATOM 999 N1 DC C 132 8.643 24.848 13.998 1.00 0.00 N ATOM 1000 C2 DC C 132 9.654 23.948 13.672 1.00 0.00 C ATOM 1001 O2 DC C 132 9.768 22.897 14.298 1.00 0.00 O ATOM 1002 N3 DC C 132 10.498 24.265 12.650 1.00 0.00 N ATOM 1003 C4 DC C 132 10.354 25.409 11.968 1.00 0.00 C ATOM 1004 N4 DC C 132 11.186 25.690 10.965 1.00 0.00 N ATOM 1005 C5 DC C 132 9.318 26.333 12.303 1.00 0.00 C ATOM 1006 C6 DC C 132 8.496 26.013 13.320 1.00 0.00 C ATOM 0 H5' DC C 132 4.013 25.804 14.208 1.00 0.00 H new ATOM 0 H5'' DC C 132 3.830 26.605 15.756 1.00 0.00 H new ATOM 0 H4' DC C 132 4.893 24.560 16.176 1.00 0.00 H new ATOM 0 H3' DC C 132 6.415 27.015 16.626 1.00 0.00 H new ATOM 0 H2' DC C 132 8.516 26.276 16.015 1.00 0.00 H new ATOM 0 H2'' DC C 132 8.339 24.923 17.114 1.00 0.00 H new ATOM 0 HO3' DC C 132 6.791 25.958 18.619 1.00 0.00 H new ATOM 0 H1' DC C 132 7.921 23.476 15.391 1.00 0.00 H new ATOM 0 H41 DC C 132 11.080 26.560 10.443 1.00 0.00 H new ATOM 0 H42 DC C 132 11.929 25.035 10.720 1.00 0.00 H new ATOM 0 H5 DC C 132 9.198 27.258 11.758 1.00 0.00 H new ATOM 0 H6 DC C 132 7.707 26.695 13.600 1.00 0.00 H new TER 1019 DC C 132 ATOM 1020 N LYS A 1 -6.386 15.527 12.546 1.00 0.00 N ATOM 1021 CA LYS A 1 -7.056 14.665 13.558 1.00 0.00 C ATOM 1022 C LYS A 1 -7.140 13.234 13.036 1.00 0.00 C ATOM 1023 O LYS A 1 -8.206 12.743 12.722 1.00 0.00 O ATOM 1024 CB LYS A 1 -8.465 15.189 13.798 1.00 0.00 C ATOM 1025 CG LYS A 1 -8.392 16.596 14.375 1.00 0.00 C ATOM 1026 CD LYS A 1 -9.812 17.104 14.608 1.00 0.00 C ATOM 1027 CE LYS A 1 -9.760 18.524 15.161 1.00 0.00 C ATOM 1028 NZ LYS A 1 -9.332 19.452 14.076 1.00 0.00 N ATOM 0 H1 LYS A 1 -5.996 16.371 13.012 1.00 0.00 H new ATOM 0 H2 LYS A 1 -5.616 14.995 12.092 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.077 15.818 11.825 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.486 14.681 14.487 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -9.026 15.196 12.863 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -8.998 14.530 14.484 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.834 16.592 15.311 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.861 17.258 13.691 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.374 17.086 13.674 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.334 16.449 15.306 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -10.739 18.816 15.542 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.064 18.577 15.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -9.550 20.431 14.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -8.308 19.356 13.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -9.839 19.218 13.199 1.00 0.00 H new ATOM 1044 N ARG A 2 -6.031 12.557 12.944 1.00 0.00 N ATOM 1045 CA ARG A 2 -6.058 11.157 12.445 1.00 0.00 C ATOM 1046 C ARG A 2 -6.729 10.262 13.491 1.00 0.00 C ATOM 1047 O ARG A 2 -7.465 9.360 13.168 1.00 0.00 O ATOM 1048 CB ARG A 2 -4.629 10.680 12.182 1.00 0.00 C ATOM 1049 CG ARG A 2 -3.997 11.540 11.081 1.00 0.00 C ATOM 1050 CD ARG A 2 -4.791 11.400 9.771 1.00 0.00 C ATOM 1051 NE ARG A 2 -5.819 12.478 9.706 1.00 0.00 N ATOM 1052 CZ ARG A 2 -6.394 12.755 8.572 1.00 0.00 C ATOM 1053 NH1 ARG A 2 -6.052 12.105 7.498 1.00 0.00 N ATOM 1054 NH2 ARG A 2 -7.309 13.683 8.508 1.00 0.00 N ATOM 0 H ARG A 2 -5.108 12.913 13.193 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.623 11.107 11.514 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.038 10.748 13.095 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.634 9.632 11.882 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.978 12.584 11.392 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.963 11.236 10.921 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.120 11.469 8.915 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.269 10.421 9.724 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.071 12.997 10.548 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.335 11.381 7.547 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.501 12.320 6.607 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.576 14.195 9.349 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.757 13.897 7.617 1.00 0.00 H new ATOM 1068 N ALA A 3 -6.444 10.499 14.737 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.031 9.665 15.828 1.00 0.00 C ATOM 1070 C ALA A 3 -8.528 9.398 15.583 1.00 0.00 C ATOM 1071 O ALA A 3 -9.344 10.300 15.621 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.871 10.412 17.157 1.00 0.00 C ATOM 0 H ALA A 3 -5.822 11.243 15.054 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.510 8.708 15.853 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.296 9.814 17.964 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.813 10.585 17.352 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.391 11.368 17.102 1.00 0.00 H new ATOM 1078 N GLY A 4 -8.902 8.157 15.376 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.350 7.822 15.178 1.00 0.00 C ATOM 1080 C GLY A 4 -10.748 7.878 13.697 1.00 0.00 C ATOM 1081 O GLY A 4 -11.882 7.615 13.349 1.00 0.00 O ATOM 0 H GLY A 4 -8.266 7.360 15.336 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.550 6.825 15.571 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.966 8.519 15.747 1.00 0.00 H new ATOM 1085 N THR A 5 -9.848 8.235 12.824 1.00 0.00 N ATOM 1086 CA THR A 5 -10.217 8.321 11.377 1.00 0.00 C ATOM 1087 C THR A 5 -10.443 6.930 10.790 1.00 0.00 C ATOM 1088 O THR A 5 -9.528 6.142 10.649 1.00 0.00 O ATOM 1089 CB THR A 5 -9.108 9.000 10.585 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.718 10.193 11.248 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.620 9.341 9.178 1.00 0.00 C ATOM 0 H THR A 5 -8.880 8.470 13.044 1.00 0.00 H new ATOM 0 HA THR A 5 -11.137 8.902 11.307 1.00 0.00 H new ATOM 0 HB THR A 5 -8.252 8.330 10.508 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.786 10.066 12.217 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.827 9.827 8.610 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.922 8.426 8.669 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.475 10.013 9.255 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.657 6.655 10.403 1.00 0.00 N ATOM 1100 CA VAL A 6 -11.994 5.347 9.765 1.00 0.00 C ATOM 1101 C VAL A 6 -12.545 5.673 8.381 1.00 0.00 C ATOM 1102 O VAL A 6 -13.267 6.635 8.213 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.064 4.613 10.577 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.500 4.182 11.935 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.255 5.543 10.794 1.00 0.00 C ATOM 0 H VAL A 6 -12.447 7.293 10.503 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.115 4.705 9.712 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.380 3.725 10.029 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.272 3.661 12.501 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.651 3.516 11.782 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.175 5.062 12.490 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.020 5.025 11.372 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.929 6.431 11.336 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.667 5.838 9.829 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.219 4.902 7.387 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.723 5.192 6.017 1.00 0.00 C ATOM 1117 C CYS A 7 -14.235 5.205 5.976 1.00 0.00 C ATOM 1118 O CYS A 7 -14.897 4.228 6.253 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.201 4.113 5.093 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.670 4.455 3.382 1.00 0.00 S ATOM 0 H CYS A 7 -11.622 4.078 7.463 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.377 6.178 5.707 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.116 4.053 5.173 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.597 3.144 5.397 1.00 0.00 H new ATOM 1125 N SER A 8 -14.776 6.320 5.609 1.00 0.00 N ATOM 1126 CA SER A 8 -16.239 6.448 5.515 1.00 0.00 C ATOM 1127 C SER A 8 -16.772 5.437 4.501 1.00 0.00 C ATOM 1128 O SER A 8 -17.818 4.854 4.695 1.00 0.00 O ATOM 1129 CB SER A 8 -16.579 7.861 5.055 1.00 0.00 C ATOM 1130 OG SER A 8 -16.180 8.790 6.055 1.00 0.00 O ATOM 0 H SER A 8 -14.255 7.162 5.366 1.00 0.00 H new ATOM 0 HA SER A 8 -16.694 6.256 6.487 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.073 8.081 4.115 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.649 7.947 4.869 1.00 0.00 H new ATOM 0 HG SER A 8 -15.218 8.959 5.979 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.085 5.236 3.399 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.613 4.275 2.388 1.00 0.00 C ATOM 1138 C ASN A 9 -16.409 2.816 2.820 1.00 0.00 C ATOM 1139 O ASN A 9 -17.269 1.997 2.564 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.920 4.500 1.041 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.384 5.830 0.443 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.410 6.353 0.826 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.677 6.392 -0.501 1.00 0.00 N ATOM 0 H ASN A 9 -15.201 5.687 3.163 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.684 4.456 2.297 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.838 4.507 1.173 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.153 3.682 0.359 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.987 7.270 -0.916 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.815 5.952 -0.823 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.288 2.447 3.437 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.099 0.995 3.818 1.00 0.00 C ATOM 1152 C CYS A 10 -14.652 0.813 5.281 1.00 0.00 C ATOM 1153 O CYS A 10 -14.276 -0.269 5.674 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.112 0.307 2.846 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.386 0.743 3.215 1.00 0.00 S ATOM 0 H CYS A 10 -14.520 3.071 3.685 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.073 0.514 3.734 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.235 -0.774 2.908 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.349 0.596 1.822 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.737 1.824 6.110 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.377 1.670 7.563 1.00 0.00 C ATOM 1162 C GLN A 11 -12.945 1.168 7.798 1.00 0.00 C ATOM 1163 O GLN A 11 -12.567 0.927 8.927 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.361 0.704 8.237 1.00 0.00 C ATOM 1165 CG GLN A 11 -16.759 1.326 8.251 1.00 0.00 C ATOM 1166 CD GLN A 11 -16.794 2.497 9.236 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -17.061 3.620 8.855 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -16.550 2.279 10.498 1.00 0.00 N ATOM 0 H GLN A 11 -15.043 2.760 5.844 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.438 2.667 7.999 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.379 -0.245 7.702 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.037 0.490 9.255 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.024 1.671 7.252 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.498 0.577 8.536 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -16.326 1.337 10.819 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -16.583 3.050 11.165 1.00 0.00 H new ATOM 1177 N THR A 12 -12.137 1.002 6.793 1.00 0.00 N ATOM 1178 CA THR A 12 -10.750 0.519 7.073 1.00 0.00 C ATOM 1179 C THR A 12 -9.996 1.611 7.839 1.00 0.00 C ATOM 1180 O THR A 12 -10.351 2.771 7.769 1.00 0.00 O ATOM 1181 CB THR A 12 -10.021 0.202 5.756 1.00 0.00 C ATOM 1182 OG1 THR A 12 -8.780 -0.420 6.050 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.768 1.484 4.967 1.00 0.00 C ATOM 0 H THR A 12 -12.363 1.173 5.813 1.00 0.00 H new ATOM 0 HA THR A 12 -10.792 -0.392 7.670 1.00 0.00 H new ATOM 0 HB THR A 12 -10.642 -0.464 5.157 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.311 -0.626 5.214 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.252 1.243 4.038 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.719 1.965 4.739 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.152 2.160 5.560 1.00 0.00 H new ATOM 1191 N SER A 13 -8.953 1.261 8.556 1.00 0.00 N ATOM 1192 CA SER A 13 -8.167 2.298 9.315 1.00 0.00 C ATOM 1193 C SER A 13 -6.667 2.127 9.012 1.00 0.00 C ATOM 1194 O SER A 13 -5.834 2.787 9.597 1.00 0.00 O ATOM 1195 CB SER A 13 -8.423 2.139 10.817 1.00 0.00 C ATOM 1196 OG SER A 13 -9.812 1.933 11.042 1.00 0.00 O ATOM 0 H SER A 13 -8.610 0.305 8.651 1.00 0.00 H new ATOM 0 HA SER A 13 -8.482 3.295 9.006 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.852 1.297 11.207 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.085 3.027 11.350 1.00 0.00 H new ATOM 0 HG SER A 13 -9.976 1.830 12.003 1.00 0.00 H new ATOM 1202 N THR A 14 -6.321 1.250 8.091 1.00 0.00 N ATOM 1203 CA THR A 14 -4.875 1.035 7.731 1.00 0.00 C ATOM 1204 C THR A 14 -4.595 1.670 6.373 1.00 0.00 C ATOM 1205 O THR A 14 -4.072 1.054 5.481 1.00 0.00 O ATOM 1206 CB THR A 14 -4.580 -0.461 7.636 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.034 -0.952 6.382 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.296 -1.193 8.761 1.00 0.00 C ATOM 0 H THR A 14 -6.981 0.672 7.571 1.00 0.00 H new ATOM 0 HA THR A 14 -4.247 1.487 8.499 1.00 0.00 H new ATOM 0 HB THR A 14 -3.506 -0.628 7.724 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.609 -0.445 5.659 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.085 -2.260 8.693 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.946 -0.815 9.722 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.370 -1.029 8.676 1.00 0.00 H new ATOM 1216 N THR A 15 -5.010 2.872 6.196 1.00 0.00 N ATOM 1217 CA THR A 15 -4.840 3.547 4.874 1.00 0.00 C ATOM 1218 C THR A 15 -3.411 4.037 4.667 1.00 0.00 C ATOM 1219 O THR A 15 -2.742 4.458 5.590 1.00 0.00 O ATOM 1220 CB THR A 15 -5.766 4.756 4.847 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.130 5.843 5.507 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.034 4.408 5.603 1.00 0.00 C ATOM 0 H THR A 15 -5.468 3.437 6.911 1.00 0.00 H new ATOM 0 HA THR A 15 -5.072 2.832 4.085 1.00 0.00 H new ATOM 0 HB THR A 15 -5.996 5.028 3.817 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.783 6.313 6.067 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.709 5.263 5.594 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.520 3.557 5.126 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.785 4.153 6.633 1.00 0.00 H new ATOM 1230 N THR A 16 -2.960 4.032 3.440 1.00 0.00 N ATOM 1231 CA THR A 16 -1.599 4.547 3.147 1.00 0.00 C ATOM 1232 C THR A 16 -1.689 6.074 3.160 1.00 0.00 C ATOM 1233 O THR A 16 -0.823 6.756 3.672 1.00 0.00 O ATOM 1234 CB THR A 16 -1.133 4.056 1.774 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.924 4.660 0.764 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.277 2.538 1.699 1.00 0.00 C ATOM 0 H THR A 16 -3.479 3.692 2.630 1.00 0.00 H new ATOM 0 HA THR A 16 -0.881 4.193 3.887 1.00 0.00 H new ATOM 0 HB THR A 16 -0.088 4.327 1.626 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.122 4.001 0.066 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.945 2.189 0.721 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.667 2.076 2.475 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.322 2.264 1.847 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.768 6.617 2.633 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.955 8.106 2.656 1.00 0.00 C ATOM 1246 C LEU A 17 -4.448 8.402 2.863 1.00 0.00 C ATOM 1247 O LEU A 17 -5.304 7.821 2.219 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.455 8.768 1.348 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.881 10.164 1.661 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.578 10.035 2.498 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.616 10.929 0.341 1.00 0.00 C ATOM 0 H LEU A 17 -3.523 6.094 2.190 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.365 8.524 3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.691 8.146 0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.275 8.852 0.635 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.606 10.727 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.183 11.028 2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.796 9.522 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.161 9.464 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.210 11.915 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.901 10.373 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.550 11.039 -0.210 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.766 9.288 3.764 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.192 9.622 4.028 1.00 0.00 C ATOM 1265 C TRP A 18 -6.700 10.611 2.971 1.00 0.00 C ATOM 1266 O TRP A 18 -6.093 11.634 2.720 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.276 10.261 5.421 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.271 9.188 6.471 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.287 8.977 7.380 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.282 8.172 6.725 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.639 7.897 8.173 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.857 7.372 7.810 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.516 7.872 6.126 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.628 6.312 8.284 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.292 6.805 6.599 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.851 6.027 7.676 1.00 0.00 C ATOM 0 H TRP A 18 -4.092 9.800 4.334 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.807 8.723 3.984 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.434 10.936 5.573 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.183 10.859 5.503 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.379 9.555 7.471 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.064 7.535 8.934 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.869 8.467 5.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.281 5.716 9.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.238 6.581 6.129 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.456 5.208 8.035 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.805 10.302 2.343 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.369 11.198 1.283 1.00 0.00 C ATOM 1289 C ARG A 19 -9.666 11.837 1.788 1.00 0.00 C ATOM 1290 O ARG A 19 -10.151 11.510 2.852 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.694 10.357 0.042 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.530 9.430 -0.270 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.267 10.247 -0.505 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.275 9.391 -1.216 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.195 9.909 -1.729 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.879 11.154 -1.496 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.411 9.169 -2.452 1.00 0.00 N ATOM 0 H ARG A 19 -8.349 9.457 2.520 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.643 11.974 1.040 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.599 9.774 0.213 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.890 11.009 -0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.376 8.735 0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.756 8.832 -1.153 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.494 11.134 -1.096 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.858 10.593 0.444 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.444 8.389 -1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.480 11.731 -0.907 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.031 11.550 -1.902 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.642 8.189 -2.615 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.564 9.568 -2.857 1.00 0.00 H new ATOM 1311 N ARG A 20 -10.252 12.712 1.008 1.00 0.00 N ATOM 1312 CA ARG A 20 -11.552 13.343 1.399 1.00 0.00 C ATOM 1313 C ARG A 20 -12.504 13.230 0.206 1.00 0.00 C ATOM 1314 O ARG A 20 -12.110 13.409 -0.930 1.00 0.00 O ATOM 1315 CB ARG A 20 -11.344 14.819 1.760 1.00 0.00 C ATOM 1316 CG ARG A 20 -10.579 14.947 3.089 1.00 0.00 C ATOM 1317 CD ARG A 20 -11.548 14.805 4.279 1.00 0.00 C ATOM 1318 NE ARG A 20 -12.281 16.098 4.498 1.00 0.00 N ATOM 1319 CZ ARG A 20 -11.652 17.211 4.765 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -10.371 17.204 5.011 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -12.319 18.329 4.830 1.00 0.00 N ATOM 0 H ARG A 20 -9.882 13.019 0.109 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.966 12.837 2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.790 15.319 0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.309 15.319 1.840 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.806 14.181 3.147 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.075 15.912 3.135 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.259 14.002 4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.996 14.533 5.179 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.299 16.107 4.436 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.854 16.325 4.996 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.887 18.077 5.219 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.327 18.331 4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.833 19.201 5.038 1.00 0.00 H new ATOM 1335 N SER A 21 -13.754 12.937 0.454 1.00 0.00 N ATOM 1336 CA SER A 21 -14.739 12.813 -0.665 1.00 0.00 C ATOM 1337 C SER A 21 -15.439 14.172 -0.887 1.00 0.00 C ATOM 1338 O SER A 21 -15.439 15.020 -0.019 1.00 0.00 O ATOM 1339 CB SER A 21 -15.753 11.708 -0.327 1.00 0.00 C ATOM 1340 OG SER A 21 -15.526 10.591 -1.176 1.00 0.00 O ATOM 0 H SER A 21 -14.138 12.778 1.386 1.00 0.00 H new ATOM 0 HA SER A 21 -14.230 12.540 -1.589 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.653 11.413 0.717 1.00 0.00 H new ATOM 0 HB3 SER A 21 -16.770 12.078 -0.457 1.00 0.00 H new ATOM 0 HG SER A 21 -16.169 9.883 -0.963 1.00 0.00 H new ATOM 1346 N PRO A 22 -16.026 14.381 -2.048 1.00 0.00 N ATOM 1347 CA PRO A 22 -16.722 15.668 -2.347 1.00 0.00 C ATOM 1348 C PRO A 22 -17.772 16.028 -1.276 1.00 0.00 C ATOM 1349 O PRO A 22 -18.227 17.152 -1.193 1.00 0.00 O ATOM 1350 CB PRO A 22 -17.383 15.383 -3.715 1.00 0.00 C ATOM 1351 CG PRO A 22 -17.017 13.947 -4.152 1.00 0.00 C ATOM 1352 CD PRO A 22 -16.033 13.359 -3.133 1.00 0.00 C ATOM 0 HA PRO A 22 -16.046 16.523 -2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -18.465 15.492 -3.642 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -17.040 16.103 -4.458 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.914 13.330 -4.211 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -16.571 13.957 -5.146 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -16.362 12.386 -2.769 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -15.041 13.220 -3.563 1.00 0.00 H new ATOM 1360 N MET A 23 -18.161 15.080 -0.460 1.00 0.00 N ATOM 1361 CA MET A 23 -19.180 15.370 0.600 1.00 0.00 C ATOM 1362 C MET A 23 -18.476 15.701 1.920 1.00 0.00 C ATOM 1363 O MET A 23 -19.088 16.163 2.861 1.00 0.00 O ATOM 1364 CB MET A 23 -20.071 14.144 0.800 1.00 0.00 C ATOM 1365 CG MET A 23 -20.896 13.902 -0.466 1.00 0.00 C ATOM 1366 SD MET A 23 -22.000 12.489 -0.216 1.00 0.00 S ATOM 1367 CE MET A 23 -20.826 11.180 -0.644 1.00 0.00 C ATOM 0 H MET A 23 -17.819 14.119 -0.480 1.00 0.00 H new ATOM 0 HA MET A 23 -19.787 16.220 0.289 1.00 0.00 H new ATOM 0 HB2 MET A 23 -19.460 13.269 1.022 1.00 0.00 H new ATOM 0 HB3 MET A 23 -20.731 14.296 1.654 1.00 0.00 H new ATOM 0 HG2 MET A 23 -21.478 14.792 -0.708 1.00 0.00 H new ATOM 0 HG3 MET A 23 -20.235 13.714 -1.312 1.00 0.00 H new ATOM 0 HE1 MET A 23 -21.314 10.210 -0.553 1.00 0.00 H new ATOM 0 HE2 MET A 23 -20.483 11.320 -1.669 1.00 0.00 H new ATOM 0 HE3 MET A 23 -19.972 11.221 0.033 1.00 0.00 H new ATOM 1377 N GLY A 24 -17.194 15.465 1.997 1.00 0.00 N ATOM 1378 CA GLY A 24 -16.447 15.760 3.258 1.00 0.00 C ATOM 1379 C GLY A 24 -16.414 14.506 4.132 1.00 0.00 C ATOM 1380 O GLY A 24 -16.514 14.578 5.341 1.00 0.00 O ATOM 0 H GLY A 24 -16.629 15.080 1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.432 16.082 3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.926 16.579 3.795 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.302 13.351 3.527 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.291 12.070 4.298 1.00 0.00 C ATOM 1386 C ASP A 25 -14.884 11.431 4.263 1.00 0.00 C ATOM 1387 O ASP A 25 -14.428 11.038 3.207 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.262 11.113 3.608 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.691 11.629 3.770 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.909 12.437 4.655 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.541 11.208 3.005 1.00 0.00 O ATOM 0 H ASP A 25 -16.216 13.239 2.517 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.571 12.261 5.334 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.013 11.027 2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.174 10.116 4.039 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.190 11.291 5.384 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.843 10.654 5.356 1.00 0.00 C ATOM 1398 C PRO A 26 -12.865 9.292 4.643 1.00 0.00 C ATOM 1399 O PRO A 26 -13.657 8.428 4.958 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.520 10.501 6.857 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.466 11.429 7.633 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.666 11.746 6.726 1.00 0.00 C ATOM 0 HA PRO A 26 -12.104 11.236 4.805 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.653 9.467 7.174 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.480 10.763 7.054 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.800 10.950 8.554 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.951 12.346 7.919 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.563 11.213 7.040 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.908 12.809 6.731 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.982 9.101 3.699 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.918 7.793 2.964 1.00 0.00 C ATOM 1412 C VAL A 27 -10.466 7.322 2.868 1.00 0.00 C ATOM 1413 O VAL A 27 -9.541 8.100 2.996 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.543 7.926 1.558 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.073 7.806 1.680 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -12.163 9.292 0.912 1.00 0.00 C ATOM 0 H VAL A 27 -11.297 9.795 3.400 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.492 7.050 3.517 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.158 7.132 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.525 7.899 0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.329 6.836 2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.450 8.598 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.614 9.364 -0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.530 10.105 1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.079 9.363 0.823 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.255 6.043 2.648 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.863 5.521 2.551 1.00 0.00 C ATOM 1428 C CYS A 28 -8.322 5.744 1.139 1.00 0.00 C ATOM 1429 O CYS A 28 -9.058 5.996 0.208 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.814 4.026 2.938 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.613 2.965 1.692 1.00 0.00 S ATOM 0 H CYS A 28 -10.989 5.344 2.532 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.230 6.065 3.253 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.776 3.719 3.062 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.305 3.886 3.901 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.030 5.700 0.996 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.395 5.958 -0.326 1.00 0.00 C ATOM 1438 C ASN A 29 -7.041 5.133 -1.442 1.00 0.00 C ATOM 1439 O ASN A 29 -7.128 5.580 -2.569 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.920 5.583 -0.227 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.203 6.013 -1.503 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.758 5.934 -2.581 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -2.988 6.473 -1.426 1.00 0.00 N ATOM 0 H ASN A 29 -6.375 5.493 1.750 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.526 7.012 -0.572 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.467 6.067 0.639 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.815 4.508 -0.082 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.500 6.768 -2.272 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.524 6.539 -0.520 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.473 3.941 -1.171 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.079 3.121 -2.259 1.00 0.00 C ATOM 1452 C ALA A 30 -9.511 3.583 -2.591 1.00 0.00 C ATOM 1453 O ALA A 30 -9.849 3.779 -3.743 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.079 1.665 -1.830 1.00 0.00 C ATOM 0 H ALA A 30 -7.436 3.497 -0.254 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.485 3.245 -3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.520 1.054 -2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.055 1.339 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.662 1.555 -0.916 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.369 3.739 -1.609 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.773 4.166 -1.914 1.00 0.00 C ATOM 1462 C CYS A 31 -11.767 5.517 -2.615 1.00 0.00 C ATOM 1463 O CYS A 31 -12.503 5.743 -3.535 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.589 4.326 -0.630 1.00 0.00 C ATOM 1465 SG CYS A 31 -12.948 2.718 0.097 1.00 0.00 S ATOM 0 H CYS A 31 -10.161 3.591 -0.621 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.216 3.397 -2.547 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.038 4.939 0.083 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.520 4.849 -0.847 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.960 6.428 -2.171 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.954 7.768 -2.812 1.00 0.00 C ATOM 1472 C GLY A 32 -10.637 7.620 -4.293 1.00 0.00 C ATOM 1473 O GLY A 32 -11.320 8.156 -5.143 1.00 0.00 O ATOM 0 H GLY A 32 -10.307 6.308 -1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.924 8.249 -2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.214 8.409 -2.333 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.608 6.895 -4.611 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.254 6.708 -6.039 1.00 0.00 C ATOM 1479 C LEU A 33 -10.364 5.912 -6.732 1.00 0.00 C ATOM 1480 O LEU A 33 -10.823 6.267 -7.795 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.929 5.951 -6.120 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.802 6.829 -5.559 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.529 5.987 -5.426 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.550 8.044 -6.486 1.00 0.00 C ATOM 0 H LEU A 33 -8.997 6.424 -3.944 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.149 7.673 -6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.995 5.021 -5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.714 5.682 -7.154 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.092 7.206 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.724 6.605 -5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.714 5.152 -4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.242 5.604 -6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.748 8.656 -6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.265 7.692 -7.477 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.460 8.640 -6.560 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.806 4.841 -6.140 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.888 4.034 -6.772 1.00 0.00 C ATOM 1498 C TYR A 34 -13.126 4.914 -6.941 1.00 0.00 C ATOM 1499 O TYR A 34 -13.758 4.936 -7.977 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.228 2.857 -5.843 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.076 1.821 -6.561 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.404 2.106 -6.914 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.533 0.563 -6.864 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.176 1.141 -7.566 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.313 -0.400 -7.517 1.00 0.00 C ATOM 1506 CZ TYR A 34 -14.633 -0.108 -7.866 1.00 0.00 C ATOM 1507 OH TYR A 34 -15.402 -1.057 -8.506 1.00 0.00 O ATOM 0 H TYR A 34 -10.466 4.488 -5.246 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.565 3.661 -7.744 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.308 2.394 -5.486 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.762 3.224 -4.966 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.829 3.071 -6.682 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.512 0.337 -6.593 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.197 1.363 -7.839 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.894 -1.368 -7.750 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.872 -1.870 -8.641 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.483 5.618 -5.905 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.689 6.491 -5.941 1.00 0.00 C ATOM 1519 C TYR A 35 -14.521 7.609 -6.971 1.00 0.00 C ATOM 1520 O TYR A 35 -15.384 7.864 -7.761 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.897 7.112 -4.550 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.328 7.554 -4.401 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.736 8.783 -4.915 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.246 6.723 -3.751 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.070 9.187 -4.781 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.578 7.121 -3.615 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.994 8.352 -4.130 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.310 8.743 -3.999 1.00 0.00 O ATOM 0 H TYR A 35 -12.980 5.626 -5.018 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.552 5.887 -6.222 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.648 6.386 -3.776 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.228 7.962 -4.417 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.025 9.423 -5.416 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.924 5.772 -3.353 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.389 10.140 -5.178 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.286 6.478 -3.112 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.812 8.048 -3.525 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.431 8.299 -6.956 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.268 9.413 -7.930 1.00 0.00 C ATOM 1540 C LYS A 36 -13.345 8.893 -9.365 1.00 0.00 C ATOM 1541 O LYS A 36 -13.940 9.516 -10.220 1.00 0.00 O ATOM 1542 CB LYS A 36 -11.901 10.057 -7.706 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.695 11.196 -8.700 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.444 11.987 -8.311 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.193 11.122 -8.488 1.00 0.00 C ATOM 1546 NZ LYS A 36 -7.996 12.005 -8.549 1.00 0.00 N ATOM 0 H LYS A 36 -12.647 8.149 -6.321 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.067 10.139 -7.780 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.830 10.435 -6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.114 9.312 -7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.589 10.798 -9.709 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.566 11.851 -8.706 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.365 12.883 -8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.522 12.318 -7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.101 10.420 -7.659 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.271 10.530 -9.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.142 11.424 -8.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.087 12.658 -9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.922 12.551 -7.667 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.749 7.778 -9.646 1.00 0.00 N ATOM 1561 CA LEU A 37 -12.793 7.259 -11.040 1.00 0.00 C ATOM 1562 C LEU A 37 -14.220 6.836 -11.434 1.00 0.00 C ATOM 1563 O LEU A 37 -14.638 7.081 -12.546 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.821 6.064 -11.161 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.422 6.551 -11.593 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -9.941 7.685 -10.671 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.429 5.379 -11.542 1.00 0.00 C ATOM 0 H LEU A 37 -12.235 7.203 -8.979 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.489 8.052 -11.723 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.753 5.544 -10.205 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.204 5.347 -11.887 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.480 6.932 -12.613 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.953 8.018 -10.989 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.640 8.520 -10.726 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.889 7.322 -9.645 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.442 5.725 -11.848 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.378 4.989 -10.525 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.762 4.590 -12.217 1.00 0.00 H new ATOM 1579 N HIS A 38 -14.963 6.186 -10.560 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.352 5.734 -10.941 1.00 0.00 C ATOM 1581 C HIS A 38 -17.431 6.278 -9.990 1.00 0.00 C ATOM 1582 O HIS A 38 -18.580 5.908 -10.108 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.384 4.208 -10.908 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.436 3.674 -11.943 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.850 3.362 -13.225 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -14.090 3.404 -11.905 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.773 2.927 -13.905 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.673 2.932 -13.147 1.00 0.00 N ATOM 0 H HIS A 38 -14.674 5.950 -9.611 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.572 6.120 -11.936 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.103 3.847 -9.919 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.395 3.849 -11.103 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.452 3.537 -11.044 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.795 2.612 -14.938 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.731 2.651 -13.419 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.101 7.150 -9.072 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.118 7.719 -8.123 1.00 0.00 C ATOM 1598 C GLN A 39 -19.185 6.683 -7.719 1.00 0.00 C ATOM 1599 O GLN A 39 -20.370 6.869 -7.888 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.714 9.012 -8.714 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.898 9.517 -7.860 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.037 11.041 -7.991 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.439 11.784 -7.237 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -20.811 11.539 -8.917 1.00 0.00 N ATOM 0 H GLN A 39 -16.153 7.501 -8.934 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.619 7.982 -7.190 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.944 9.781 -8.765 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -19.049 8.829 -9.735 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -20.820 9.032 -8.181 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -19.743 9.247 -6.815 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.313 10.917 -9.550 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -20.913 12.550 -9.007 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.744 5.598 -7.131 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.670 4.544 -6.638 1.00 0.00 C ATOM 1615 C VAL A 40 -19.028 3.899 -5.410 1.00 0.00 C ATOM 1616 O VAL A 40 -17.820 3.858 -5.283 1.00 0.00 O ATOM 1617 CB VAL A 40 -19.884 3.470 -7.696 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -20.846 3.970 -8.772 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.543 3.111 -8.320 1.00 0.00 C ATOM 0 H VAL A 40 -17.756 5.399 -6.971 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.635 4.992 -6.400 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.319 2.586 -7.230 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.990 3.192 -9.522 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.805 4.216 -8.316 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.431 4.859 -9.247 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -18.689 2.342 -9.079 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.107 3.997 -8.781 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -17.871 2.736 -7.548 1.00 0.00 H new ATOM 1629 N ASN A 41 -19.814 3.391 -4.509 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.233 2.744 -3.292 1.00 0.00 C ATOM 1631 C ASN A 41 -18.921 1.272 -3.584 1.00 0.00 C ATOM 1632 O ASN A 41 -19.754 0.541 -4.083 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.227 2.836 -2.131 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.534 2.136 -2.504 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -21.825 1.937 -3.667 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.341 1.748 -1.554 1.00 0.00 N ATOM 0 H ASN A 41 -20.833 3.392 -4.556 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.312 3.260 -3.021 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -19.801 2.377 -1.239 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.421 3.881 -1.889 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.215 1.278 -1.788 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.097 1.915 -0.578 1.00 0.00 H new ATOM 1643 N ARG A 42 -17.724 0.828 -3.278 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.355 -0.599 -3.538 1.00 0.00 C ATOM 1645 C ARG A 42 -17.602 -1.431 -2.257 1.00 0.00 C ATOM 1646 O ARG A 42 -17.129 -1.061 -1.201 1.00 0.00 O ATOM 1647 CB ARG A 42 -15.859 -0.669 -3.884 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.481 -2.091 -4.348 1.00 0.00 C ATOM 1649 CD ARG A 42 -15.841 -2.293 -5.839 1.00 0.00 C ATOM 1650 NE ARG A 42 -16.468 -3.639 -6.038 1.00 0.00 N ATOM 1651 CZ ARG A 42 -15.940 -4.711 -5.511 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -14.772 -4.655 -4.934 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -16.561 -5.854 -5.606 1.00 0.00 N ATOM 0 H ARG A 42 -16.986 1.394 -2.859 1.00 0.00 H new ATOM 0 HA ARG A 42 -17.955 -0.991 -4.359 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -15.627 0.051 -4.669 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.264 -0.394 -3.013 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.414 -2.255 -4.201 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.004 -2.829 -3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -16.527 -1.511 -6.165 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.945 -2.206 -6.453 1.00 0.00 H new ATOM 0 HE ARG A 42 -17.320 -3.719 -6.593 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.266 -3.771 -4.892 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.365 -5.496 -4.524 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.457 -5.909 -6.091 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.151 -6.693 -5.195 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.310 -2.550 -2.318 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.532 -3.371 -1.092 1.00 0.00 C ATOM 1669 C PRO A 43 -17.240 -3.609 -0.290 1.00 0.00 C ATOM 1670 O PRO A 43 -16.152 -3.619 -0.829 1.00 0.00 O ATOM 1671 CB PRO A 43 -19.094 -4.680 -1.673 1.00 0.00 C ATOM 1672 CG PRO A 43 -19.611 -4.376 -3.087 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.939 -3.078 -3.571 1.00 0.00 C ATOM 0 HA PRO A 43 -19.193 -2.888 -0.372 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -18.321 -5.448 -1.705 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.898 -5.063 -1.045 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -19.380 -5.200 -3.762 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.695 -4.264 -3.080 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.198 -3.270 -4.347 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.663 -2.378 -3.988 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.368 -3.788 0.997 1.00 0.00 N ATOM 1682 CA LEU A 44 -16.172 -4.018 1.866 1.00 0.00 C ATOM 1683 C LEU A 44 -15.419 -5.273 1.429 1.00 0.00 C ATOM 1684 O LEU A 44 -14.338 -5.542 1.902 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.626 -4.180 3.323 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.772 -2.809 3.980 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.982 -2.075 3.394 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.967 -2.997 5.485 1.00 0.00 C ATOM 0 H LEU A 44 -18.260 -3.785 1.491 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.505 -3.161 1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.576 -4.713 3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.902 -4.781 3.873 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.875 -2.218 3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.079 -1.098 3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.844 -1.946 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.885 -2.658 3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -17.072 -2.023 5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.865 -3.588 5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -16.103 -3.514 5.902 1.00 0.00 H new ATOM 1700 N THR A 45 -15.971 -6.053 0.558 1.00 0.00 N ATOM 1701 CA THR A 45 -15.253 -7.283 0.135 1.00 0.00 C ATOM 1702 C THR A 45 -13.874 -6.898 -0.423 1.00 0.00 C ATOM 1703 O THR A 45 -13.017 -7.736 -0.623 1.00 0.00 O ATOM 1704 CB THR A 45 -16.073 -7.985 -0.945 1.00 0.00 C ATOM 1705 OG1 THR A 45 -16.173 -7.134 -2.079 1.00 0.00 O ATOM 1706 CG2 THR A 45 -17.473 -8.287 -0.402 1.00 0.00 C ATOM 0 H THR A 45 -16.880 -5.899 0.121 1.00 0.00 H new ATOM 0 HA THR A 45 -15.120 -7.952 0.985 1.00 0.00 H new ATOM 0 HB THR A 45 -15.588 -8.918 -1.231 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.697 -7.579 -2.777 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.061 -8.788 -1.171 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.393 -8.933 0.472 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.963 -7.355 -0.121 1.00 0.00 H new ATOM 1714 N MET A 46 -13.658 -5.631 -0.687 1.00 0.00 N ATOM 1715 CA MET A 46 -12.333 -5.186 -1.249 1.00 0.00 C ATOM 1716 C MET A 46 -11.425 -4.681 -0.117 1.00 0.00 C ATOM 1717 O MET A 46 -10.277 -4.338 -0.323 1.00 0.00 O ATOM 1718 CB MET A 46 -12.573 -4.058 -2.258 1.00 0.00 C ATOM 1719 CG MET A 46 -11.331 -3.872 -3.135 1.00 0.00 C ATOM 1720 SD MET A 46 -11.665 -2.609 -4.394 1.00 0.00 S ATOM 1721 CE MET A 46 -10.347 -3.045 -5.559 1.00 0.00 C ATOM 0 H MET A 46 -14.337 -4.884 -0.540 1.00 0.00 H new ATOM 0 HA MET A 46 -11.846 -6.027 -1.742 1.00 0.00 H new ATOM 0 HB2 MET A 46 -13.437 -4.292 -2.880 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.801 -3.130 -1.733 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.481 -3.574 -2.522 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.065 -4.815 -3.612 1.00 0.00 H new ATOM 0 HE1 MET A 46 -10.519 -2.538 -6.509 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.384 -2.736 -5.152 1.00 0.00 H new ATOM 0 HE3 MET A 46 -10.344 -4.123 -5.718 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.948 -4.633 1.069 1.00 0.00 N ATOM 1732 CA ARG A 47 -11.167 -4.152 2.248 1.00 0.00 C ATOM 1733 C ARG A 47 -10.207 -5.232 2.758 1.00 0.00 C ATOM 1734 O ARG A 47 -10.579 -6.374 2.938 1.00 0.00 O ATOM 1735 CB ARG A 47 -12.167 -3.798 3.348 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.459 -3.530 4.677 1.00 0.00 C ATOM 1737 CD ARG A 47 -12.492 -2.990 5.651 1.00 0.00 C ATOM 1738 NE ARG A 47 -11.880 -2.794 7.007 1.00 0.00 N ATOM 1739 CZ ARG A 47 -11.434 -3.793 7.724 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -11.534 -5.022 7.295 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -10.903 -3.555 8.891 1.00 0.00 N ATOM 0 H ARG A 47 -12.906 -4.912 1.282 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.568 -3.287 1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.738 -2.917 3.054 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.880 -4.614 3.471 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.011 -4.446 5.063 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.650 -2.812 4.541 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.888 -2.043 5.283 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.332 -3.681 5.721 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.809 -1.848 7.383 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.964 -5.213 6.390 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.182 -5.791 7.865 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.839 -2.597 9.236 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.552 -4.326 9.459 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.976 -4.860 3.019 1.00 0.00 N ATOM 1756 CA LYS A 48 -7.972 -5.833 3.553 1.00 0.00 C ATOM 1757 C LYS A 48 -7.557 -5.381 4.960 1.00 0.00 C ATOM 1758 O LYS A 48 -7.214 -4.235 5.171 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.749 -5.840 2.635 1.00 0.00 C ATOM 1760 CG LYS A 48 -7.125 -6.491 1.298 1.00 0.00 C ATOM 1761 CD LYS A 48 -5.900 -6.549 0.372 1.00 0.00 C ATOM 1762 CE LYS A 48 -5.722 -5.211 -0.356 1.00 0.00 C ATOM 1763 NZ LYS A 48 -6.954 -4.908 -1.140 1.00 0.00 N ATOM 0 H LYS A 48 -8.621 -3.913 2.883 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.398 -6.835 3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.397 -4.822 2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.931 -6.388 3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.508 -7.497 1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.924 -5.923 0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.006 -6.777 0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.022 -7.353 -0.354 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.530 -4.415 0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.858 -5.257 -1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.704 -4.334 -1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.394 -5.797 -1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.624 -4.381 -0.544 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.612 -6.257 5.934 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.255 -5.856 7.333 1.00 0.00 C ATOM 1779 C ASP A 49 -5.798 -5.386 7.421 1.00 0.00 C ATOM 1780 O ASP A 49 -5.298 -5.099 8.489 1.00 0.00 O ATOM 1781 CB ASP A 49 -7.468 -7.039 8.287 1.00 0.00 C ATOM 1782 CG ASP A 49 -8.966 -7.254 8.516 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -9.594 -7.861 7.665 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -9.456 -6.816 9.545 1.00 0.00 O ATOM 0 H ASP A 49 -7.889 -7.232 5.822 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.903 -5.028 7.621 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.021 -7.941 7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.969 -6.847 9.237 1.00 0.00 H new ATOM 1789 N GLY A 50 -5.117 -5.297 6.310 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.695 -4.835 6.337 1.00 0.00 C ATOM 1791 C GLY A 50 -3.380 -4.132 5.018 1.00 0.00 C ATOM 1792 O GLY A 50 -4.144 -4.199 4.078 1.00 0.00 O ATOM 0 H GLY A 50 -5.482 -5.524 5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.535 -4.156 7.174 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.026 -5.683 6.482 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.260 -3.460 4.931 1.00 0.00 N ATOM 1797 CA ILE A 51 -1.913 -2.760 3.663 1.00 0.00 C ATOM 1798 C ILE A 51 -1.115 -3.704 2.750 1.00 0.00 C ATOM 1799 O ILE A 51 -0.245 -4.429 3.186 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.112 -1.494 4.000 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -1.922 -0.688 5.045 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -0.872 -0.657 2.727 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.534 0.796 5.029 1.00 0.00 C ATOM 0 H ILE A 51 -1.575 -3.367 5.681 1.00 0.00 H new ATOM 0 HA ILE A 51 -2.818 -2.469 3.129 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.135 -1.756 4.406 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.988 -0.789 4.839 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.749 -1.100 6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.303 0.237 2.981 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.313 -1.249 2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.830 -0.367 2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.121 1.334 5.774 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.474 0.897 5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.732 1.213 4.042 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.425 -3.696 1.479 1.00 0.00 N ATOM 1816 CA GLN A 52 -0.711 -4.581 0.510 1.00 0.00 C ATOM 1817 C GLN A 52 0.622 -3.927 0.103 1.00 0.00 C ATOM 1818 O GLN A 52 0.762 -2.723 0.106 1.00 0.00 O ATOM 1819 CB GLN A 52 -1.634 -4.826 -0.715 1.00 0.00 C ATOM 1820 CG GLN A 52 -0.841 -4.843 -2.027 1.00 0.00 C ATOM 1821 CD GLN A 52 -1.740 -5.319 -3.168 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -1.805 -6.498 -3.458 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -2.445 -4.447 -3.834 1.00 0.00 N ATOM 0 H GLN A 52 -2.150 -3.108 1.067 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.480 -5.545 0.964 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.157 -5.775 -0.593 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.395 -4.047 -0.759 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.459 -3.846 -2.245 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.022 -5.502 -1.933 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.392 -3.457 -3.593 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.049 -4.755 -4.596 1.00 0.00 H new ATOM 1832 N THR A 53 1.612 -4.719 -0.230 1.00 0.00 N ATOM 1833 CA THR A 53 2.938 -4.144 -0.625 1.00 0.00 C ATOM 1834 C THR A 53 3.504 -4.893 -1.834 1.00 0.00 C ATOM 1835 O THR A 53 3.111 -5.998 -2.152 1.00 0.00 O ATOM 1836 CB THR A 53 3.904 -4.240 0.556 1.00 0.00 C ATOM 1837 OG1 THR A 53 5.244 -4.143 0.096 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.699 -5.571 1.270 1.00 0.00 C ATOM 0 H THR A 53 1.560 -5.738 -0.246 1.00 0.00 H new ATOM 0 HA THR A 53 2.808 -3.097 -0.900 1.00 0.00 H new ATOM 0 HB THR A 53 3.709 -3.421 1.249 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.857 -4.204 0.858 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.387 -5.642 2.113 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.673 -5.635 1.633 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.890 -6.389 0.576 1.00 0.00 H new ATOM 1846 N ARG A 54 4.425 -4.266 -2.512 1.00 0.00 N ATOM 1847 CA ARG A 54 5.046 -4.881 -3.723 1.00 0.00 C ATOM 1848 C ARG A 54 6.484 -4.368 -3.843 1.00 0.00 C ATOM 1849 O ARG A 54 6.821 -3.320 -3.327 1.00 0.00 O ATOM 1850 CB ARG A 54 4.242 -4.461 -4.962 1.00 0.00 C ATOM 1851 CG ARG A 54 4.613 -5.330 -6.180 1.00 0.00 C ATOM 1852 CD ARG A 54 3.765 -6.607 -6.201 1.00 0.00 C ATOM 1853 NE ARG A 54 4.327 -7.557 -7.203 1.00 0.00 N ATOM 1854 CZ ARG A 54 3.943 -8.803 -7.205 1.00 0.00 C ATOM 1855 NH1 ARG A 54 3.054 -9.210 -6.341 1.00 0.00 N ATOM 1856 NH2 ARG A 54 4.441 -9.642 -8.075 1.00 0.00 N ATOM 0 H ARG A 54 4.780 -3.339 -2.276 1.00 0.00 H new ATOM 0 HA ARG A 54 5.046 -5.968 -3.644 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.175 -4.553 -4.756 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.434 -3.412 -5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.456 -4.766 -7.099 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.671 -5.589 -6.142 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.755 -7.067 -5.213 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.732 -6.367 -6.451 1.00 0.00 H new ATOM 0 HE ARG A 54 5.011 -7.233 -7.886 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.661 -8.554 -5.666 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.752 -10.184 -6.341 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.132 -9.322 -8.754 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.139 -10.616 -8.075 1.00 0.00 H new ATOM 1870 N ASN A 55 7.339 -5.096 -4.508 1.00 0.00 N ATOM 1871 CA ASN A 55 8.751 -4.637 -4.639 1.00 0.00 C ATOM 1872 C ASN A 55 8.761 -3.179 -5.103 1.00 0.00 C ATOM 1873 O ASN A 55 7.961 -2.773 -5.921 1.00 0.00 O ATOM 1874 CB ASN A 55 9.490 -5.504 -5.660 1.00 0.00 C ATOM 1875 CG ASN A 55 10.995 -5.266 -5.531 1.00 0.00 C ATOM 1876 OD1 ASN A 55 11.546 -5.367 -4.453 1.00 0.00 O ATOM 1877 ND2 ASN A 55 11.688 -4.953 -6.591 1.00 0.00 N ATOM 0 H ASN A 55 7.123 -5.983 -4.963 1.00 0.00 H new ATOM 0 HA ASN A 55 9.251 -4.722 -3.674 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.261 -6.557 -5.494 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.157 -5.261 -6.669 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.692 -4.793 -6.515 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.225 -4.868 -7.496 1.00 0.00 H new ATOM 1884 N ARG A 56 9.645 -2.385 -4.564 1.00 0.00 N ATOM 1885 CA ARG A 56 9.687 -0.944 -4.953 1.00 0.00 C ATOM 1886 C ARG A 56 9.890 -0.836 -6.466 1.00 0.00 C ATOM 1887 O ARG A 56 10.835 -1.367 -7.013 1.00 0.00 O ATOM 1888 CB ARG A 56 10.851 -0.246 -4.209 1.00 0.00 C ATOM 1889 CG ARG A 56 10.495 1.222 -3.907 1.00 0.00 C ATOM 1890 CD ARG A 56 9.652 1.303 -2.626 1.00 0.00 C ATOM 1891 NE ARG A 56 10.425 0.731 -1.485 1.00 0.00 N ATOM 1892 CZ ARG A 56 9.990 0.887 -0.262 1.00 0.00 C ATOM 1893 NH1 ARG A 56 8.837 1.459 -0.054 1.00 0.00 N ATOM 1894 NH2 ARG A 56 10.691 0.447 0.749 1.00 0.00 N ATOM 0 H ARG A 56 10.339 -2.669 -3.873 1.00 0.00 H new ATOM 0 HA ARG A 56 8.749 -0.459 -4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.064 -0.773 -3.279 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.756 -0.290 -4.815 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.406 1.810 -3.791 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.943 1.651 -4.743 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.388 2.340 -2.417 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.718 0.756 -2.757 1.00 0.00 H new ATOM 0 HE ARG A 56 11.290 0.220 -1.659 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.278 1.783 -0.844 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.494 1.583 0.898 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.583 -0.021 0.586 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.347 0.572 1.701 1.00 0.00 H new ATOM 1908 N LYS A 57 9.001 -0.165 -7.147 1.00 0.00 N ATOM 1909 CA LYS A 57 9.142 -0.044 -8.621 1.00 0.00 C ATOM 1910 C LYS A 57 10.361 0.806 -8.965 1.00 0.00 C ATOM 1911 O LYS A 57 10.963 1.427 -8.112 1.00 0.00 O ATOM 1912 CB LYS A 57 7.893 0.588 -9.208 1.00 0.00 C ATOM 1913 CG LYS A 57 7.682 1.956 -8.590 1.00 0.00 C ATOM 1914 CD LYS A 57 6.374 2.519 -9.122 1.00 0.00 C ATOM 1915 CE LYS A 57 6.202 3.966 -8.665 1.00 0.00 C ATOM 1916 NZ LYS A 57 4.941 4.513 -9.236 1.00 0.00 N ATOM 0 H LYS A 57 8.187 0.302 -6.746 1.00 0.00 H new ATOM 0 HA LYS A 57 9.274 -1.039 -9.045 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.991 0.677 -10.290 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.027 -0.046 -9.018 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.650 1.882 -7.503 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.511 2.618 -8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.364 2.470 -10.211 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.538 1.916 -8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.174 4.015 -7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.052 4.566 -8.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.776 5.469 -8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.019 4.557 -10.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.145 3.896 -8.975 1.00 0.00 H new ATOM 1930 N VAL A 58 10.733 0.827 -10.212 1.00 0.00 N ATOM 1931 CA VAL A 58 11.917 1.620 -10.630 1.00 0.00 C ATOM 1932 C VAL A 58 11.809 3.042 -10.081 1.00 0.00 C ATOM 1933 O VAL A 58 10.740 3.520 -9.760 1.00 0.00 O ATOM 1934 CB VAL A 58 11.961 1.682 -12.157 1.00 0.00 C ATOM 1935 CG1 VAL A 58 12.094 0.269 -12.728 1.00 0.00 C ATOM 1936 CG2 VAL A 58 10.670 2.322 -12.677 1.00 0.00 C ATOM 0 H VAL A 58 10.263 0.324 -10.965 1.00 0.00 H new ATOM 0 HA VAL A 58 12.821 1.149 -10.244 1.00 0.00 H new ATOM 0 HB VAL A 58 12.818 2.279 -12.469 1.00 0.00 H new ATOM 0 HG11 VAL A 58 12.125 0.318 -13.816 1.00 0.00 H new ATOM 0 HG12 VAL A 58 13.012 -0.188 -12.359 1.00 0.00 H new ATOM 0 HG13 VAL A 58 11.239 -0.331 -12.416 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.699 2.367 -13.766 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.815 1.724 -12.361 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.576 3.331 -12.274 1.00 0.00 H new ATOM 1946 N SER A 59 12.911 3.736 -10.018 1.00 0.00 N ATOM 1947 CA SER A 59 12.871 5.148 -9.544 1.00 0.00 C ATOM 1948 C SER A 59 12.681 6.029 -10.775 1.00 0.00 C ATOM 1949 O SER A 59 13.632 6.519 -11.350 1.00 0.00 O ATOM 1950 CB SER A 59 14.181 5.509 -8.843 1.00 0.00 C ATOM 1951 OG SER A 59 15.247 5.467 -9.784 1.00 0.00 O ATOM 0 H SER A 59 13.835 3.388 -10.273 1.00 0.00 H new ATOM 0 HA SER A 59 12.059 5.291 -8.831 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.109 6.504 -8.403 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.374 4.812 -8.027 1.00 0.00 H new ATOM 0 HG SER A 59 15.081 6.121 -10.495 1.00 0.00 H new ATOM 1957 N SER A 60 11.461 6.213 -11.204 1.00 0.00 N ATOM 1958 CA SER A 60 11.213 7.040 -12.422 1.00 0.00 C ATOM 1959 C SER A 60 10.966 8.488 -12.020 1.00 0.00 C ATOM 1960 O SER A 60 9.844 8.956 -12.009 1.00 0.00 O ATOM 1961 CB SER A 60 9.985 6.503 -13.155 1.00 0.00 C ATOM 1962 OG SER A 60 9.594 7.432 -14.157 1.00 0.00 O ATOM 0 H SER A 60 10.625 5.827 -10.764 1.00 0.00 H new ATOM 0 HA SER A 60 12.084 6.991 -13.075 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.210 5.537 -13.606 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.168 6.344 -12.451 1.00 0.00 H new ATOM 0 HG SER A 60 9.200 8.223 -13.734 1.00 0.00 H new ATOM 1968 N LYS A 61 12.000 9.209 -11.698 1.00 0.00 N ATOM 1969 CA LYS A 61 11.809 10.630 -11.304 1.00 0.00 C ATOM 1970 C LYS A 61 13.166 11.336 -11.268 1.00 0.00 C ATOM 1971 O LYS A 61 13.824 11.375 -10.246 1.00 0.00 O ATOM 1972 CB LYS A 61 11.176 10.681 -9.913 1.00 0.00 C ATOM 1973 CG LYS A 61 10.667 12.095 -9.627 1.00 0.00 C ATOM 1974 CD LYS A 61 10.040 12.127 -8.231 1.00 0.00 C ATOM 1975 CE LYS A 61 9.309 13.457 -8.015 1.00 0.00 C ATOM 1976 NZ LYS A 61 8.390 13.330 -6.847 1.00 0.00 N ATOM 0 H LYS A 61 12.965 8.878 -11.690 1.00 0.00 H new ATOM 0 HA LYS A 61 11.160 11.127 -12.025 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.353 9.969 -9.852 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.907 10.389 -9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.488 12.810 -9.687 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.932 12.389 -10.376 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.343 11.297 -8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.813 12.000 -7.473 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.029 14.257 -7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.745 13.725 -8.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.381 14.223 -6.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.429 13.118 -7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.718 12.560 -6.229 1.00 0.00 H new ATOM 1990 N GLY A 62 13.587 11.899 -12.374 1.00 0.00 N ATOM 1991 CA GLY A 62 14.904 12.614 -12.421 1.00 0.00 C ATOM 1992 C GLY A 62 14.658 14.104 -12.646 1.00 0.00 C ATOM 1993 O GLY A 62 14.243 14.820 -11.756 1.00 0.00 O ATOM 0 H GLY A 62 13.072 11.895 -13.254 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.449 12.460 -11.490 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.522 12.210 -13.223 1.00 0.00 H new ATOM 1997 N LYS A 63 14.909 14.575 -13.834 1.00 0.00 N ATOM 1998 CA LYS A 63 14.688 16.017 -14.129 1.00 0.00 C ATOM 1999 C LYS A 63 13.215 16.258 -14.471 1.00 0.00 C ATOM 2000 O LYS A 63 12.495 15.355 -14.845 1.00 0.00 O ATOM 2001 CB LYS A 63 15.565 16.435 -15.308 1.00 0.00 C ATOM 2002 CG LYS A 63 17.033 16.450 -14.870 1.00 0.00 C ATOM 2003 CD LYS A 63 17.932 16.811 -16.062 1.00 0.00 C ATOM 2004 CE LYS A 63 17.865 18.317 -16.358 1.00 0.00 C ATOM 2005 NZ LYS A 63 16.625 18.623 -17.122 1.00 0.00 N ATOM 0 H LYS A 63 15.259 14.022 -14.616 1.00 0.00 H new ATOM 0 HA LYS A 63 14.951 16.609 -13.252 1.00 0.00 H new ATOM 0 HB2 LYS A 63 15.429 15.744 -16.140 1.00 0.00 H new ATOM 0 HB3 LYS A 63 15.270 17.422 -15.663 1.00 0.00 H new ATOM 0 HG2 LYS A 63 17.174 17.172 -14.066 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.313 15.474 -14.475 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.961 16.523 -15.848 1.00 0.00 H new ATOM 0 HD3 LYS A 63 17.620 16.248 -16.942 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.878 18.882 -15.426 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.741 18.625 -16.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.839 19.316 -17.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.260 17.751 -17.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.909 19.017 -16.479 1.00 0.00 H new ATOM 2019 N LYS A 64 12.766 17.476 -14.342 1.00 0.00 N ATOM 2020 CA LYS A 64 11.340 17.792 -14.648 1.00 0.00 C ATOM 2021 C LYS A 64 11.154 17.933 -16.162 1.00 0.00 C ATOM 2022 O LYS A 64 10.063 18.169 -16.642 1.00 0.00 O ATOM 2023 CB LYS A 64 10.959 19.109 -13.966 1.00 0.00 C ATOM 2024 CG LYS A 64 11.127 18.984 -12.442 1.00 0.00 C ATOM 2025 CD LYS A 64 10.025 18.088 -11.849 1.00 0.00 C ATOM 2026 CE LYS A 64 9.920 18.332 -10.342 1.00 0.00 C ATOM 2027 NZ LYS A 64 11.239 18.070 -9.699 1.00 0.00 N ATOM 0 H LYS A 64 13.328 18.271 -14.036 1.00 0.00 H new ATOM 0 HA LYS A 64 10.704 16.987 -14.281 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.585 19.917 -14.343 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.927 19.366 -14.206 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.107 18.566 -12.211 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.086 19.972 -11.984 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.070 18.302 -12.330 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.251 17.040 -12.043 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.609 19.359 -10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.158 17.682 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.113 17.986 -8.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.638 17.185 -10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.888 18.856 -9.905 1.00 0.00 H new ATOM 2041 N ARG A 65 12.207 17.786 -16.920 1.00 0.00 N ATOM 2042 CA ARG A 65 12.086 17.911 -18.400 1.00 0.00 C ATOM 2043 C ARG A 65 11.103 16.857 -18.913 1.00 0.00 C ATOM 2044 O ARG A 65 11.113 15.724 -18.477 1.00 0.00 O ATOM 2045 CB ARG A 65 13.464 17.690 -19.033 1.00 0.00 C ATOM 2046 CG ARG A 65 13.368 17.785 -20.559 1.00 0.00 C ATOM 2047 CD ARG A 65 14.769 17.624 -21.156 1.00 0.00 C ATOM 2048 NE ARG A 65 14.721 17.744 -22.655 1.00 0.00 N ATOM 2049 CZ ARG A 65 13.980 16.956 -23.391 1.00 0.00 C ATOM 2050 NH1 ARG A 65 13.374 15.930 -22.862 1.00 0.00 N ATOM 2051 NH2 ARG A 65 13.891 17.166 -24.674 1.00 0.00 N ATOM 0 H ARG A 65 13.146 17.585 -16.577 1.00 0.00 H new ATOM 0 HA ARG A 65 11.720 18.903 -18.665 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.167 18.434 -18.659 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.851 16.712 -18.746 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.703 17.011 -20.944 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.942 18.745 -20.851 1.00 0.00 H new ATOM 0 HD2 ARG A 65 15.435 18.383 -20.746 1.00 0.00 H new ATOM 0 HD3 ARG A 65 15.181 16.654 -20.876 1.00 0.00 H new ATOM 0 HE ARG A 65 15.284 18.462 -23.112 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.475 15.736 -21.866 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.798 15.322 -23.444 1.00 0.00 H new ATOM 0 HH21 ARG A 65 14.398 17.942 -25.100 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.315 16.554 -25.252 1.00 0.00 H new ATOM 2065 N ARG A 66 10.250 17.224 -19.829 1.00 0.00 N ATOM 2066 CA ARG A 66 9.262 16.240 -20.356 1.00 0.00 C ATOM 2067 C ARG A 66 8.627 16.796 -21.639 1.00 0.00 C ATOM 2068 O ARG A 66 7.409 16.836 -21.713 1.00 0.00 O ATOM 2069 CB ARG A 66 8.188 15.995 -19.272 1.00 0.00 C ATOM 2070 CG ARG A 66 7.644 14.560 -19.354 1.00 0.00 C ATOM 2071 CD ARG A 66 6.798 14.398 -20.620 1.00 0.00 C ATOM 2072 NE ARG A 66 6.089 13.086 -20.575 1.00 0.00 N ATOM 2073 CZ ARG A 66 5.085 12.852 -21.377 1.00 0.00 C ATOM 2074 NH1 ARG A 66 4.657 13.781 -22.187 1.00 0.00 N ATOM 2075 NH2 ARG A 66 4.496 11.685 -21.361 1.00 0.00 N ATOM 2076 OXT ARG A 66 9.376 17.167 -22.528 1.00 0.00 O ATOM 0 H ARG A 66 10.194 18.158 -20.234 1.00 0.00 H new ATOM 0 HA ARG A 66 9.750 15.295 -20.596 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.615 16.170 -18.285 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.371 16.706 -19.397 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.470 13.848 -19.364 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.042 14.338 -18.473 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.077 15.212 -20.696 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.433 14.451 -21.505 1.00 0.00 H new ATOM 0 HE ARG A 66 6.390 12.369 -19.915 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.107 14.696 -22.196 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.872 13.592 -22.811 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.821 10.959 -20.723 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.712 11.501 -21.987 1.00 0.00 H new TER 2090 ARG A 66 HETATM 2091 ZN ZN A 67 -11.893 2.715 2.114 1.00 0.00 ZN