USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=32 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= -0.607 USER MOD Set 1.2: C 125 DT C7 :methyl 150:sc= -0.893 (180deg=-0.391) USER MOD Set 2.1: A 59 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 61 LYS NZ :NH3+ -157:sc= -0.686 (180deg=-1.32) USER MOD Set 3.1: A 48 LYS NZ :NH3+ 168:sc= 1.08 (180deg=-0.55) USER MOD Set 3.2: A 52 GLN : amide:sc= 0.917 K(o=2,f=-5.4!) USER MOD Set 4.1: A 12 THR OG1 : rot -115:sc= 0.164 USER MOD Set 4.2: A 14 THR OG1 : rot -178:sc= 0.999 USER MOD Single : A 1 LYS N :NH3+ -136:sc= -0.0178 (180deg=-0.753) USER MOD Single : A 1 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.196) USER MOD Single : A 5 THR OG1 : rot -12:sc= -1.07! USER MOD Single : A 8 SER OG : rot 76:sc= 1.1 USER MOD Single : A 9 ASN : amide:sc= -3.07! C(o=-3.1!,f=-3!) USER MOD Single : A 11 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.21) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -138:sc= 0.643 USER MOD Single : A 21 SER OG : rot -140:sc= -0.295 USER MOD Single : A 23 MET CE :methyl -152:sc= -1.37 (180deg=-3.36!) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.751 F(o=-3.5!,f=-0.75) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0571 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= -4.61! C(o=-4.6!,f=-11!) USER MOD Single : A 39 GLN : amide:sc= -0.0861 K(o=-0.086,f=-2.3!) USER MOD Single : A 41 ASN : amide:sc= -0.521 K(o=-0.52,f=-6.7!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -163:sc= -0.0914 (180deg=-0.358) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 57 LYS NZ :NH3+ -178:sc=0.000286 (180deg=-0.00268) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 DG O5' : rot 180:sc= -0.0166 USER MOD Single : B 102 DT C7 :methyl -30:sc= -0.248 (180deg=-0.799) USER MOD Single : B 103 DT C7 :methyl -30:sc= -1.59 (180deg=-1.9!) USER MOD Single : B 109 DT C7 :methyl 150:sc= -2.38 (180deg=-2.38) USER MOD Single : B 115 DT C7 :methyl -30:sc= -0.371 (180deg=-0.666) USER MOD Single : B 116 DT C7 :methyl 150:sc= -0.383 (180deg=-0.383) USER MOD Single : B 116 DT O3' : rot 180:sc= 0 USER MOD Single : C 117 DA O5' : rot 35:sc= 0.423 USER MOD Single : C 119 DT C7 :methyl -30:sc= -0.111 (180deg=-0.703) USER MOD Single : C 121 DT C7 :methyl 150:sc= -0.93 (180deg=-0.93) USER MOD Single : C 122 DT C7 :methyl 150:sc= -1.04 (180deg=-1.04) USER MOD Single : C 123 DT C7 :methyl -30:sc= -1.18 (180deg=-3.42!) USER MOD Single : C 127 DT C7 :methyl -30:sc= -1.29 (180deg=-1.63!) USER MOD Single : C 132 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG B 101 17.786 25.549 10.451 1.00 0.00 O ATOM 2 C5' DG B 101 18.069 25.176 11.802 1.00 0.00 C ATOM 3 C4' DG B 101 17.071 24.137 12.321 1.00 0.00 C ATOM 4 O4' DG B 101 15.774 24.750 12.497 1.00 0.00 O ATOM 5 C3' DG B 101 16.908 22.955 11.357 1.00 0.00 C ATOM 6 O3' DG B 101 17.049 21.715 12.063 1.00 0.00 O ATOM 7 C2' DG B 101 15.511 23.084 10.793 1.00 0.00 C ATOM 8 C1' DG B 101 14.794 24.139 11.630 1.00 0.00 C ATOM 9 N9 DG B 101 14.150 25.157 10.773 1.00 0.00 N ATOM 10 C8 DG B 101 14.670 25.871 9.730 1.00 0.00 C ATOM 11 N7 DG B 101 13.848 26.701 9.164 1.00 0.00 N ATOM 12 C5 DG B 101 12.671 26.529 9.891 1.00 0.00 C ATOM 13 C6 DG B 101 11.409 27.168 9.746 1.00 0.00 C ATOM 14 O6 DG B 101 11.078 28.024 8.930 1.00 0.00 O ATOM 15 N1 DG B 101 10.496 26.709 10.687 1.00 0.00 N ATOM 16 C2 DG B 101 10.759 25.752 11.645 1.00 0.00 C ATOM 17 N2 DG B 101 9.750 25.433 12.454 1.00 0.00 N ATOM 18 N3 DG B 101 11.943 25.150 11.783 1.00 0.00 N ATOM 19 C4 DG B 101 12.848 25.585 10.877 1.00 0.00 C ATOM 0 H5' DG B 101 18.038 26.060 12.438 1.00 0.00 H new ATOM 0 H5'' DG B 101 19.080 24.773 11.865 1.00 0.00 H new ATOM 0 H4' DG B 101 17.465 23.765 13.267 1.00 0.00 H new ATOM 0 H3' DG B 101 17.664 22.964 10.571 1.00 0.00 H new ATOM 0 H2' DG B 101 15.543 23.379 9.744 1.00 0.00 H new ATOM 0 H2'' DG B 101 14.985 22.130 10.840 1.00 0.00 H new ATOM 0 HO5' DG B 101 18.440 26.214 10.151 1.00 0.00 H new ATOM 0 H1' DG B 101 14.002 23.672 12.216 1.00 0.00 H new ATOM 0 H8 DG B 101 15.692 25.753 9.400 1.00 0.00 H new ATOM 0 H1 DG B 101 9.559 27.111 10.668 1.00 0.00 H new ATOM 0 H21 DG B 101 9.883 24.732 13.183 1.00 0.00 H new ATOM 0 H22 DG B 101 8.845 25.890 12.345 1.00 0.00 H new ATOM 32 P DT B 102 16.869 20.297 11.314 1.00 0.00 P ATOM 33 OP1 DT B 102 17.752 19.310 11.975 1.00 0.00 O ATOM 34 OP2 DT B 102 16.981 20.525 9.856 1.00 0.00 O ATOM 35 O5' DT B 102 15.337 19.915 11.650 1.00 0.00 O ATOM 36 C5' DT B 102 14.928 19.763 13.012 1.00 0.00 C ATOM 37 C4' DT B 102 13.429 19.461 13.158 1.00 0.00 C ATOM 38 O4' DT B 102 12.640 20.625 12.789 1.00 0.00 O ATOM 39 C3' DT B 102 12.958 18.295 12.277 1.00 0.00 C ATOM 40 O3' DT B 102 12.432 17.246 13.092 1.00 0.00 O ATOM 41 C2' DT B 102 11.867 18.848 11.395 1.00 0.00 C ATOM 42 C1' DT B 102 11.540 20.231 11.932 1.00 0.00 C ATOM 43 N1 DT B 102 11.322 21.213 10.829 1.00 0.00 N ATOM 44 C2 DT B 102 10.087 21.850 10.747 1.00 0.00 C ATOM 45 O2 DT B 102 9.177 21.613 11.539 1.00 0.00 O ATOM 46 N3 DT B 102 9.939 22.766 9.721 1.00 0.00 N ATOM 47 C4 DT B 102 10.898 23.096 8.782 1.00 0.00 C ATOM 48 O4 DT B 102 10.661 23.927 7.910 1.00 0.00 O ATOM 49 C5 DT B 102 12.146 22.383 8.939 1.00 0.00 C ATOM 50 C7 DT B 102 13.283 22.646 7.948 1.00 0.00 C ATOM 51 C6 DT B 102 12.313 21.484 9.936 1.00 0.00 C ATOM 0 H5' DT B 102 15.164 20.675 13.561 1.00 0.00 H new ATOM 0 H5'' DT B 102 15.502 18.957 13.470 1.00 0.00 H new ATOM 0 H4' DT B 102 13.286 19.191 14.204 1.00 0.00 H new ATOM 0 H3' DT B 102 13.780 17.884 11.691 1.00 0.00 H new ATOM 0 H2' DT B 102 12.197 18.902 10.357 1.00 0.00 H new ATOM 0 H2'' DT B 102 10.987 18.205 11.417 1.00 0.00 H new ATOM 0 H1' DT B 102 10.607 20.209 12.496 1.00 0.00 H new ATOM 0 H3 DT B 102 9.039 23.242 9.651 1.00 0.00 H new ATOM 0 H71 DT B 102 12.865 22.920 6.979 1.00 0.00 H new ATOM 0 H72 DT B 102 13.907 23.460 8.317 1.00 0.00 H new ATOM 0 H73 DT B 102 13.888 21.746 7.841 1.00 0.00 H new ATOM 0 H6 DT B 102 13.257 20.968 10.026 1.00 0.00 H new ATOM 64 P DT B 103 11.862 15.893 12.434 1.00 0.00 P ATOM 65 OP1 DT B 103 11.954 14.808 13.437 1.00 0.00 O ATOM 66 OP2 DT B 103 12.483 15.730 11.100 1.00 0.00 O ATOM 67 O5' DT B 103 10.306 16.271 12.228 1.00 0.00 O ATOM 68 C5' DT B 103 9.522 16.614 13.376 1.00 0.00 C ATOM 69 C4' DT B 103 8.071 16.979 13.036 1.00 0.00 C ATOM 70 O4' DT B 103 8.003 18.260 12.369 1.00 0.00 O ATOM 71 C3' DT B 103 7.399 15.936 12.137 1.00 0.00 C ATOM 72 O3' DT B 103 6.295 15.349 12.822 1.00 0.00 O ATOM 73 C2' DT B 103 6.888 16.707 10.935 1.00 0.00 C ATOM 74 C1' DT B 103 7.106 18.188 11.243 1.00 0.00 C ATOM 75 N1 DT B 103 7.671 18.914 10.074 1.00 0.00 N ATOM 76 C2 DT B 103 6.956 19.980 9.543 1.00 0.00 C ATOM 77 O2 DT B 103 5.860 20.317 9.983 1.00 0.00 O ATOM 78 N3 DT B 103 7.550 20.643 8.485 1.00 0.00 N ATOM 79 C4 DT B 103 8.774 20.340 7.917 1.00 0.00 C ATOM 80 O4 DT B 103 9.211 21.003 6.982 1.00 0.00 O ATOM 81 C5 DT B 103 9.443 19.214 8.527 1.00 0.00 C ATOM 82 C7 DT B 103 10.811 18.780 7.986 1.00 0.00 C ATOM 83 C6 DT B 103 8.880 18.551 9.565 1.00 0.00 C ATOM 0 H5' DT B 103 9.990 17.455 13.888 1.00 0.00 H new ATOM 0 H5'' DT B 103 9.524 15.775 14.072 1.00 0.00 H new ATOM 0 H4' DT B 103 7.541 17.017 13.988 1.00 0.00 H new ATOM 0 H3' DT B 103 8.088 15.140 11.856 1.00 0.00 H new ATOM 0 H2' DT B 103 7.424 16.416 10.031 1.00 0.00 H new ATOM 0 H2'' DT B 103 5.832 16.499 10.761 1.00 0.00 H new ATOM 0 H1' DT B 103 6.153 18.666 11.472 1.00 0.00 H new ATOM 0 H3 DT B 103 7.037 21.429 8.086 1.00 0.00 H new ATOM 0 H71 DT B 103 10.873 19.013 6.923 1.00 0.00 H new ATOM 0 H72 DT B 103 11.599 19.311 8.520 1.00 0.00 H new ATOM 0 H73 DT B 103 10.935 17.707 8.130 1.00 0.00 H new ATOM 0 H6 DT B 103 9.404 17.713 10.000 1.00 0.00 H new ATOM 96 P DG B 104 5.446 14.156 12.159 1.00 0.00 P ATOM 97 OP1 DG B 104 4.792 13.390 13.244 1.00 0.00 O ATOM 98 OP2 DG B 104 6.307 13.462 11.177 1.00 0.00 O ATOM 99 O5' DG B 104 4.316 14.964 11.355 1.00 0.00 O ATOM 100 C5' DG B 104 3.416 15.831 12.041 1.00 0.00 C ATOM 101 C4' DG B 104 2.435 16.485 11.068 1.00 0.00 C ATOM 102 O4' DG B 104 3.145 17.364 10.157 1.00 0.00 O ATOM 103 C3' DG B 104 1.695 15.436 10.229 1.00 0.00 C ATOM 104 O3' DG B 104 0.288 15.581 10.375 1.00 0.00 O ATOM 105 C2' DG B 104 2.063 15.720 8.800 1.00 0.00 C ATOM 106 C1' DG B 104 2.872 17.001 8.783 1.00 0.00 C ATOM 107 N9 DG B 104 4.119 16.825 8.007 1.00 0.00 N ATOM 108 C8 DG B 104 5.121 15.914 8.180 1.00 0.00 C ATOM 109 N7 DG B 104 6.097 15.996 7.324 1.00 0.00 N ATOM 110 C5 DG B 104 5.714 17.054 6.503 1.00 0.00 C ATOM 111 C6 DG B 104 6.376 17.619 5.379 1.00 0.00 C ATOM 112 O6 DG B 104 7.450 17.288 4.880 1.00 0.00 O ATOM 113 N1 DG B 104 5.649 18.669 4.833 1.00 0.00 N ATOM 114 C2 DG B 104 4.435 19.122 5.307 1.00 0.00 C ATOM 115 N2 DG B 104 3.885 20.137 4.640 1.00 0.00 N ATOM 116 N3 DG B 104 3.810 18.595 6.366 1.00 0.00 N ATOM 117 C4 DG B 104 4.504 17.569 6.913 1.00 0.00 C ATOM 0 H5' DG B 104 3.979 16.601 12.568 1.00 0.00 H new ATOM 0 H5'' DG B 104 2.865 15.267 12.794 1.00 0.00 H new ATOM 0 H4' DG B 104 1.716 17.046 11.665 1.00 0.00 H new ATOM 0 H3' DG B 104 1.966 14.427 10.541 1.00 0.00 H new ATOM 0 H2' DG B 104 2.641 14.896 8.382 1.00 0.00 H new ATOM 0 H2'' DG B 104 1.168 15.824 8.187 1.00 0.00 H new ATOM 0 H1' DG B 104 2.315 17.800 8.295 1.00 0.00 H new ATOM 0 H8 DG B 104 5.105 15.178 8.971 1.00 0.00 H new ATOM 0 H1 DG B 104 6.043 19.141 4.019 1.00 0.00 H new ATOM 0 H21 DG B 104 2.988 20.518 4.940 1.00 0.00 H new ATOM 0 H22 DG B 104 4.362 20.533 3.830 1.00 0.00 H new ATOM 129 P DC B 105 -0.730 14.573 9.637 1.00 0.00 P ATOM 130 OP1 DC B 105 -2.001 14.557 10.397 1.00 0.00 O ATOM 131 OP2 DC B 105 -0.011 13.305 9.382 1.00 0.00 O ATOM 132 O5' DC B 105 -0.998 15.288 8.213 1.00 0.00 O ATOM 133 C5' DC B 105 -1.553 16.604 8.143 1.00 0.00 C ATOM 134 C4' DC B 105 -1.775 17.062 6.694 1.00 0.00 C ATOM 135 O4' DC B 105 -0.514 17.297 6.010 1.00 0.00 O ATOM 136 C3' DC B 105 -2.546 16.012 5.889 1.00 0.00 C ATOM 137 O3' DC B 105 -3.645 16.653 5.233 1.00 0.00 O ATOM 138 C2' DC B 105 -1.563 15.473 4.881 1.00 0.00 C ATOM 139 C1' DC B 105 -0.442 16.497 4.801 1.00 0.00 C ATOM 140 N1 DC B 105 0.906 15.869 4.659 1.00 0.00 N ATOM 141 C2 DC B 105 1.690 16.212 3.555 1.00 0.00 C ATOM 142 O2 DC B 105 1.241 16.958 2.686 1.00 0.00 O ATOM 143 N3 DC B 105 2.950 15.698 3.471 1.00 0.00 N ATOM 144 C4 DC B 105 3.426 14.883 4.420 1.00 0.00 C ATOM 145 N4 DC B 105 4.663 14.402 4.312 1.00 0.00 N ATOM 146 C5 DC B 105 2.627 14.526 5.547 1.00 0.00 C ATOM 147 C6 DC B 105 1.382 15.038 5.621 1.00 0.00 C ATOM 0 H5' DC B 105 -0.887 17.305 8.646 1.00 0.00 H new ATOM 0 H5'' DC B 105 -2.502 16.626 8.679 1.00 0.00 H new ATOM 0 H4' DC B 105 -2.347 17.988 6.753 1.00 0.00 H new ATOM 0 H3' DC B 105 -2.946 15.211 6.510 1.00 0.00 H new ATOM 0 H2' DC B 105 -1.181 14.500 5.190 1.00 0.00 H new ATOM 0 H2'' DC B 105 -2.036 15.336 3.909 1.00 0.00 H new ATOM 0 H1' DC B 105 -0.572 17.110 3.909 1.00 0.00 H new ATOM 0 H41 DC B 105 5.033 13.780 5.031 1.00 0.00 H new ATOM 0 H42 DC B 105 5.240 14.655 3.510 1.00 0.00 H new ATOM 0 H5 DC B 105 3.007 13.868 6.315 1.00 0.00 H new ATOM 0 H6 DC B 105 0.752 14.782 6.460 1.00 0.00 H new ATOM 159 P DA B 106 -4.678 15.853 4.295 1.00 0.00 P ATOM 160 OP1 DA B 106 -6.012 16.474 4.453 1.00 0.00 O ATOM 161 OP2 DA B 106 -4.510 14.404 4.551 1.00 0.00 O ATOM 162 O5' DA B 106 -4.158 16.164 2.801 1.00 0.00 O ATOM 163 C5' DA B 106 -4.100 17.513 2.325 1.00 0.00 C ATOM 164 C4' DA B 106 -3.598 17.593 0.877 1.00 0.00 C ATOM 165 O4' DA B 106 -2.188 17.267 0.778 1.00 0.00 O ATOM 166 C3' DA B 106 -4.370 16.624 -0.022 1.00 0.00 C ATOM 167 O3' DA B 106 -4.987 17.338 -1.084 1.00 0.00 O ATOM 168 C2' DA B 106 -3.338 15.664 -0.579 1.00 0.00 C ATOM 169 C1' DA B 106 -1.972 16.213 -0.194 1.00 0.00 C ATOM 170 N9 DA B 106 -1.131 15.158 0.372 1.00 0.00 N ATOM 171 C8 DA B 106 -1.390 14.401 1.450 1.00 0.00 C ATOM 172 N7 DA B 106 -0.457 13.566 1.787 1.00 0.00 N ATOM 173 C5 DA B 106 0.519 13.787 0.818 1.00 0.00 C ATOM 174 C6 DA B 106 1.774 13.212 0.591 1.00 0.00 C ATOM 175 N6 DA B 106 2.298 12.271 1.375 1.00 0.00 N ATOM 176 N1 DA B 106 2.474 13.655 -0.464 1.00 0.00 N ATOM 177 C2 DA B 106 1.974 14.607 -1.251 1.00 0.00 C ATOM 178 N3 DA B 106 0.798 15.222 -1.123 1.00 0.00 N ATOM 179 C4 DA B 106 0.117 14.755 -0.056 1.00 0.00 C ATOM 0 H5' DA B 106 -3.442 18.096 2.969 1.00 0.00 H new ATOM 0 H5'' DA B 106 -5.091 17.963 2.390 1.00 0.00 H new ATOM 0 H4' DA B 106 -3.757 18.621 0.552 1.00 0.00 H new ATOM 0 H3' DA B 106 -5.152 16.101 0.528 1.00 0.00 H new ATOM 0 H2' DA B 106 -3.481 14.663 -0.171 1.00 0.00 H new ATOM 0 H2'' DA B 106 -3.431 15.583 -1.662 1.00 0.00 H new ATOM 0 H1' DA B 106 -1.456 16.601 -1.073 1.00 0.00 H new ATOM 0 H8 DA B 106 -2.315 14.482 2.001 1.00 0.00 H new ATOM 0 H61 DA B 106 3.218 11.885 1.164 1.00 0.00 H new ATOM 0 H62 DA B 106 1.779 11.936 2.187 1.00 0.00 H new ATOM 0 H2 DA B 106 2.589 14.914 -2.084 1.00 0.00 H new ATOM 191 P DG B 107 -5.860 16.558 -2.172 1.00 0.00 P ATOM 192 OP1 DG B 107 -6.783 17.523 -2.810 1.00 0.00 O ATOM 193 OP2 DG B 107 -6.385 15.320 -1.557 1.00 0.00 O ATOM 194 O5' DG B 107 -4.728 16.158 -3.232 1.00 0.00 O ATOM 195 C5' DG B 107 -3.964 17.169 -3.879 1.00 0.00 C ATOM 196 C4' DG B 107 -2.926 16.554 -4.814 1.00 0.00 C ATOM 197 O4' DG B 107 -1.864 15.892 -4.073 1.00 0.00 O ATOM 198 C3' DG B 107 -3.563 15.515 -5.742 1.00 0.00 C ATOM 199 O3' DG B 107 -3.398 15.919 -7.097 1.00 0.00 O ATOM 200 C2' DG B 107 -2.822 14.229 -5.473 1.00 0.00 C ATOM 201 C1' DG B 107 -1.592 14.608 -4.676 1.00 0.00 C ATOM 202 N9 DG B 107 -1.237 13.572 -3.671 1.00 0.00 N ATOM 203 C8 DG B 107 -1.942 13.108 -2.584 1.00 0.00 C ATOM 204 N7 DG B 107 -1.337 12.219 -1.880 1.00 0.00 N ATOM 205 C5 DG B 107 -0.124 12.055 -2.526 1.00 0.00 C ATOM 206 C6 DG B 107 0.952 11.201 -2.201 1.00 0.00 C ATOM 207 O6 DG B 107 1.033 10.421 -1.261 1.00 0.00 O ATOM 208 N1 DG B 107 1.996 11.327 -3.105 1.00 0.00 N ATOM 209 C2 DG B 107 2.003 12.171 -4.194 1.00 0.00 C ATOM 210 N2 DG B 107 3.091 12.119 -4.968 1.00 0.00 N ATOM 211 N3 DG B 107 0.986 12.987 -4.504 1.00 0.00 N ATOM 212 C4 DG B 107 -0.044 12.874 -3.626 1.00 0.00 C ATOM 0 H5' DG B 107 -3.466 17.787 -3.132 1.00 0.00 H new ATOM 0 H5'' DG B 107 -4.626 17.824 -4.445 1.00 0.00 H new ATOM 0 H4' DG B 107 -2.514 17.378 -5.396 1.00 0.00 H new ATOM 0 H3' DG B 107 -4.633 15.400 -5.567 1.00 0.00 H new ATOM 0 H2' DG B 107 -3.446 13.530 -4.917 1.00 0.00 H new ATOM 0 H2'' DG B 107 -2.545 13.737 -6.405 1.00 0.00 H new ATOM 0 H1' DG B 107 -0.719 14.675 -5.326 1.00 0.00 H new ATOM 0 H8 DG B 107 -2.932 13.465 -2.340 1.00 0.00 H new ATOM 0 H1 DG B 107 2.823 10.750 -2.952 1.00 0.00 H new ATOM 0 H21 DG B 107 3.161 12.718 -5.791 1.00 0.00 H new ATOM 0 H22 DG B 107 3.852 11.480 -4.736 1.00 0.00 H new ATOM 224 P DA B 108 -3.959 15.039 -8.319 1.00 0.00 P ATOM 225 OP1 DA B 108 -4.402 15.962 -9.385 1.00 0.00 O ATOM 226 OP2 DA B 108 -4.902 14.035 -7.773 1.00 0.00 O ATOM 227 O5' DA B 108 -2.643 14.261 -8.833 1.00 0.00 O ATOM 228 C5' DA B 108 -1.523 15.024 -9.295 1.00 0.00 C ATOM 229 C4' DA B 108 -0.350 14.144 -9.754 1.00 0.00 C ATOM 230 O4' DA B 108 0.289 13.481 -8.629 1.00 0.00 O ATOM 231 C3' DA B 108 -0.819 13.059 -10.729 1.00 0.00 C ATOM 232 O3' DA B 108 -0.029 13.115 -11.922 1.00 0.00 O ATOM 233 C2' DA B 108 -0.610 11.750 -10.007 1.00 0.00 C ATOM 234 C1' DA B 108 0.306 12.045 -8.835 1.00 0.00 C ATOM 235 N9 DA B 108 -0.117 11.325 -7.610 1.00 0.00 N ATOM 236 C8 DA B 108 -1.322 11.353 -6.966 1.00 0.00 C ATOM 237 N7 DA B 108 -1.373 10.694 -5.852 1.00 0.00 N ATOM 238 C5 DA B 108 -0.090 10.170 -5.738 1.00 0.00 C ATOM 239 C6 DA B 108 0.512 9.367 -4.768 1.00 0.00 C ATOM 240 N6 DA B 108 -0.108 8.995 -3.654 1.00 0.00 N ATOM 241 N1 DA B 108 1.793 9.014 -4.960 1.00 0.00 N ATOM 242 C2 DA B 108 2.451 9.433 -6.038 1.00 0.00 C ATOM 243 N3 DA B 108 1.978 10.208 -7.018 1.00 0.00 N ATOM 244 C4 DA B 108 0.685 10.541 -6.800 1.00 0.00 C ATOM 0 H5' DA B 108 -1.185 15.684 -8.496 1.00 0.00 H new ATOM 0 H5'' DA B 108 -1.839 15.660 -10.122 1.00 0.00 H new ATOM 0 H4' DA B 108 0.359 14.810 -10.245 1.00 0.00 H new ATOM 0 H3' DA B 108 -1.861 13.184 -11.023 1.00 0.00 H new ATOM 0 H2' DA B 108 -1.560 11.341 -9.663 1.00 0.00 H new ATOM 0 H2'' DA B 108 -0.165 11.008 -10.670 1.00 0.00 H new ATOM 0 H1' DA B 108 1.316 11.698 -9.054 1.00 0.00 H new ATOM 0 H8 DA B 108 -2.174 11.888 -7.359 1.00 0.00 H new ATOM 0 H61 DA B 108 0.374 8.407 -2.974 1.00 0.00 H new ATOM 0 H62 DA B 108 -1.066 9.297 -3.478 1.00 0.00 H new ATOM 0 H2 DA B 108 3.478 9.112 -6.131 1.00 0.00 H new ATOM 256 P DT B 109 -0.272 12.101 -13.149 1.00 0.00 P ATOM 257 OP1 DT B 109 -0.003 12.829 -14.409 1.00 0.00 O ATOM 258 OP2 DT B 109 -1.579 11.437 -12.948 1.00 0.00 O ATOM 259 O5' DT B 109 0.885 11.002 -12.942 1.00 0.00 O ATOM 260 C5' DT B 109 2.259 11.405 -12.960 1.00 0.00 C ATOM 261 C4' DT B 109 3.209 10.225 -12.747 1.00 0.00 C ATOM 262 O4' DT B 109 3.098 9.733 -11.392 1.00 0.00 O ATOM 263 C3' DT B 109 2.907 9.063 -13.705 1.00 0.00 C ATOM 264 O3' DT B 109 4.041 8.783 -14.524 1.00 0.00 O ATOM 265 C2' DT B 109 2.624 7.869 -12.823 1.00 0.00 C ATOM 266 C1' DT B 109 2.898 8.304 -11.387 1.00 0.00 C ATOM 267 N1 DT B 109 1.773 7.928 -10.492 1.00 0.00 N ATOM 268 C2 DT B 109 2.034 7.083 -9.424 1.00 0.00 C ATOM 269 O2 DT B 109 3.154 6.617 -9.216 1.00 0.00 O ATOM 270 N3 DT B 109 0.962 6.788 -8.609 1.00 0.00 N ATOM 271 C4 DT B 109 -0.330 7.255 -8.760 1.00 0.00 C ATOM 272 O4 DT B 109 -1.210 6.930 -7.972 1.00 0.00 O ATOM 273 C5 DT B 109 -0.512 8.126 -9.896 1.00 0.00 C ATOM 274 C7 DT B 109 -1.903 8.710 -10.164 1.00 0.00 C ATOM 275 C6 DT B 109 0.525 8.427 -10.710 1.00 0.00 C ATOM 0 H5' DT B 109 2.428 12.150 -12.183 1.00 0.00 H new ATOM 0 H5'' DT B 109 2.484 11.883 -13.914 1.00 0.00 H new ATOM 0 H4' DT B 109 4.217 10.592 -12.943 1.00 0.00 H new ATOM 0 H3' DT B 109 2.071 9.302 -14.363 1.00 0.00 H new ATOM 0 H2' DT B 109 1.591 7.541 -12.937 1.00 0.00 H new ATOM 0 H2'' DT B 109 3.258 7.026 -13.099 1.00 0.00 H new ATOM 0 H1' DT B 109 3.786 7.801 -11.006 1.00 0.00 H new ATOM 0 H3 DT B 109 1.139 6.166 -7.820 1.00 0.00 H new ATOM 0 H71 DT B 109 -1.803 9.681 -10.648 1.00 0.00 H new ATOM 0 H72 DT B 109 -2.461 8.036 -10.814 1.00 0.00 H new ATOM 0 H73 DT B 109 -2.436 8.828 -9.221 1.00 0.00 H new ATOM 0 H6 DT B 109 0.359 9.080 -11.554 1.00 0.00 H new ATOM 288 P DA B 110 3.959 7.697 -15.711 1.00 0.00 P ATOM 289 OP1 DA B 110 5.007 8.009 -16.705 1.00 0.00 O ATOM 290 OP2 DA B 110 2.545 7.587 -16.137 1.00 0.00 O ATOM 291 O5' DA B 110 4.363 6.331 -14.963 1.00 0.00 O ATOM 292 C5' DA B 110 5.634 6.200 -14.331 1.00 0.00 C ATOM 293 C4' DA B 110 5.802 4.827 -13.688 1.00 0.00 C ATOM 294 O4' DA B 110 4.833 4.678 -12.613 1.00 0.00 O ATOM 295 C3' DA B 110 5.547 3.689 -14.678 1.00 0.00 C ATOM 296 O3' DA B 110 6.563 2.692 -14.523 1.00 0.00 O ATOM 297 C2' DA B 110 4.195 3.130 -14.327 1.00 0.00 C ATOM 298 C1' DA B 110 3.866 3.639 -12.928 1.00 0.00 C ATOM 299 N9 DA B 110 2.471 4.151 -12.846 1.00 0.00 N ATOM 300 C8 DA B 110 1.796 4.990 -13.692 1.00 0.00 C ATOM 301 N7 DA B 110 0.556 5.216 -13.376 1.00 0.00 N ATOM 302 C5 DA B 110 0.382 4.466 -12.216 1.00 0.00 C ATOM 303 C6 DA B 110 -0.717 4.273 -11.369 1.00 0.00 C ATOM 304 N6 DA B 110 -1.905 4.843 -11.573 1.00 0.00 N ATOM 305 N1 DA B 110 -0.546 3.470 -10.306 1.00 0.00 N ATOM 306 C2 DA B 110 0.634 2.891 -10.086 1.00 0.00 C ATOM 307 N3 DA B 110 1.736 3.004 -10.825 1.00 0.00 N ATOM 308 C4 DA B 110 1.539 3.814 -11.885 1.00 0.00 C ATOM 0 H5' DA B 110 5.745 6.974 -13.572 1.00 0.00 H new ATOM 0 H5'' DA B 110 6.424 6.358 -15.065 1.00 0.00 H new ATOM 0 H4' DA B 110 6.829 4.768 -13.329 1.00 0.00 H new ATOM 0 H3' DA B 110 5.570 4.028 -15.714 1.00 0.00 H new ATOM 0 H2' DA B 110 3.442 3.455 -15.045 1.00 0.00 H new ATOM 0 H2'' DA B 110 4.208 2.040 -14.350 1.00 0.00 H new ATOM 0 H1' DA B 110 3.929 2.827 -12.204 1.00 0.00 H new ATOM 0 H8 DA B 110 2.261 5.433 -14.560 1.00 0.00 H new ATOM 0 H61 DA B 110 -2.673 4.668 -10.924 1.00 0.00 H new ATOM 0 H62 DA B 110 -2.046 5.454 -12.378 1.00 0.00 H new ATOM 0 H2 DA B 110 0.704 2.261 -9.212 1.00 0.00 H new ATOM 320 P DA B 111 6.588 1.353 -15.420 1.00 0.00 P ATOM 321 OP1 DA B 111 8.001 0.984 -15.663 1.00 0.00 O ATOM 322 OP2 DA B 111 5.664 1.538 -16.560 1.00 0.00 O ATOM 323 O5' DA B 111 5.946 0.270 -14.414 1.00 0.00 O ATOM 324 C5' DA B 111 6.600 0.017 -13.166 1.00 0.00 C ATOM 325 C4' DA B 111 5.841 -0.972 -12.275 1.00 0.00 C ATOM 326 O4' DA B 111 4.606 -0.381 -11.814 1.00 0.00 O ATOM 327 C3' DA B 111 5.506 -2.283 -12.993 1.00 0.00 C ATOM 328 O3' DA B 111 6.101 -3.375 -12.297 1.00 0.00 O ATOM 329 C2' DA B 111 4.004 -2.416 -12.929 1.00 0.00 C ATOM 330 C1' DA B 111 3.486 -1.243 -12.106 1.00 0.00 C ATOM 331 N9 DA B 111 2.449 -0.516 -12.854 1.00 0.00 N ATOM 332 C8 DA B 111 2.531 0.048 -14.087 1.00 0.00 C ATOM 333 N7 DA B 111 1.444 0.618 -14.509 1.00 0.00 N ATOM 334 C5 DA B 111 0.556 0.410 -13.456 1.00 0.00 C ATOM 335 C6 DA B 111 -0.782 0.766 -13.263 1.00 0.00 C ATOM 336 N6 DA B 111 -1.492 1.441 -14.166 1.00 0.00 N ATOM 337 N1 DA B 111 -1.358 0.398 -12.106 1.00 0.00 N ATOM 338 C2 DA B 111 -0.659 -0.279 -11.193 1.00 0.00 C ATOM 339 N3 DA B 111 0.610 -0.661 -11.275 1.00 0.00 N ATOM 340 C4 DA B 111 1.160 -0.280 -12.444 1.00 0.00 C ATOM 0 H5' DA B 111 6.722 0.958 -12.630 1.00 0.00 H new ATOM 0 H5'' DA B 111 7.600 -0.372 -13.360 1.00 0.00 H new ATOM 0 H4' DA B 111 6.502 -1.199 -11.439 1.00 0.00 H new ATOM 0 H3' DA B 111 5.874 -2.284 -14.019 1.00 0.00 H new ATOM 0 H2' DA B 111 3.573 -2.404 -13.930 1.00 0.00 H new ATOM 0 H2'' DA B 111 3.720 -3.363 -12.471 1.00 0.00 H new ATOM 0 H1' DA B 111 3.035 -1.596 -11.178 1.00 0.00 H new ATOM 0 H8 DA B 111 3.437 0.024 -14.675 1.00 0.00 H new ATOM 0 H61 DA B 111 -2.466 1.676 -13.976 1.00 0.00 H new ATOM 0 H62 DA B 111 -1.061 1.722 -15.047 1.00 0.00 H new ATOM 0 H2 DA B 111 -1.183 -0.546 -10.287 1.00 0.00 H new ATOM 352 P DA B 112 5.933 -4.892 -12.805 1.00 0.00 P ATOM 353 OP1 DA B 112 7.050 -5.691 -12.257 1.00 0.00 O ATOM 354 OP2 DA B 112 5.687 -4.869 -14.265 1.00 0.00 O ATOM 355 O5' DA B 112 4.575 -5.350 -12.071 1.00 0.00 O ATOM 356 C5' DA B 112 4.484 -5.344 -10.646 1.00 0.00 C ATOM 357 C4' DA B 112 3.108 -5.815 -10.162 1.00 0.00 C ATOM 358 O4' DA B 112 2.102 -4.847 -10.565 1.00 0.00 O ATOM 359 C3' DA B 112 2.709 -7.164 -10.775 1.00 0.00 C ATOM 360 O3' DA B 112 2.193 -8.035 -9.758 1.00 0.00 O ATOM 361 C2' DA B 112 1.642 -6.848 -11.791 1.00 0.00 C ATOM 362 C1' DA B 112 1.130 -5.456 -11.451 1.00 0.00 C ATOM 363 N9 DA B 112 0.920 -4.647 -12.675 1.00 0.00 N ATOM 364 C8 DA B 112 1.746 -4.455 -13.749 1.00 0.00 C ATOM 365 N7 DA B 112 1.264 -3.703 -14.690 1.00 0.00 N ATOM 366 C5 DA B 112 0.004 -3.366 -14.208 1.00 0.00 C ATOM 367 C6 DA B 112 -1.026 -2.583 -14.733 1.00 0.00 C ATOM 368 N6 DA B 112 -0.936 -1.960 -15.908 1.00 0.00 N ATOM 369 N1 DA B 112 -2.143 -2.457 -13.998 1.00 0.00 N ATOM 370 C2 DA B 112 -2.239 -3.063 -12.813 1.00 0.00 C ATOM 371 N3 DA B 112 -1.323 -3.825 -12.225 1.00 0.00 N ATOM 372 C4 DA B 112 -0.216 -3.935 -12.985 1.00 0.00 C ATOM 0 H5' DA B 112 4.675 -4.338 -10.274 1.00 0.00 H new ATOM 0 H5'' DA B 112 5.257 -5.990 -10.230 1.00 0.00 H new ATOM 0 H4' DA B 112 3.168 -5.918 -9.079 1.00 0.00 H new ATOM 0 H3' DA B 112 3.559 -7.671 -11.232 1.00 0.00 H new ATOM 0 H2' DA B 112 2.047 -6.877 -12.803 1.00 0.00 H new ATOM 0 H2'' DA B 112 0.836 -7.580 -11.749 1.00 0.00 H new ATOM 0 H1' DA B 112 0.159 -5.513 -10.960 1.00 0.00 H new ATOM 0 H8 DA B 112 2.729 -4.898 -13.809 1.00 0.00 H new ATOM 0 H61 DA B 112 -1.717 -1.399 -16.249 1.00 0.00 H new ATOM 0 H62 DA B 112 -0.086 -2.044 -16.466 1.00 0.00 H new ATOM 0 H2 DA B 112 -3.163 -2.918 -12.272 1.00 0.00 H new ATOM 384 P DC B 113 1.692 -9.527 -10.115 1.00 0.00 P ATOM 385 OP1 DC B 113 2.015 -10.405 -8.967 1.00 0.00 O ATOM 386 OP2 DC B 113 2.198 -9.869 -11.462 1.00 0.00 O ATOM 387 O5' DC B 113 0.081 -9.385 -10.199 1.00 0.00 O ATOM 388 C5' DC B 113 -0.657 -8.948 -9.048 1.00 0.00 C ATOM 389 C4' DC B 113 -2.175 -8.868 -9.297 1.00 0.00 C ATOM 390 O4' DC B 113 -2.508 -7.760 -10.165 1.00 0.00 O ATOM 391 C3' DC B 113 -2.728 -10.152 -9.928 1.00 0.00 C ATOM 392 O3' DC B 113 -3.757 -10.711 -9.108 1.00 0.00 O ATOM 393 C2' DC B 113 -3.329 -9.725 -11.250 1.00 0.00 C ATOM 394 C1' DC B 113 -3.336 -8.204 -11.264 1.00 0.00 C ATOM 395 N1 DC B 113 -2.818 -7.658 -12.544 1.00 0.00 N ATOM 396 C2 DC B 113 -3.641 -6.820 -13.296 1.00 0.00 C ATOM 397 O2 DC B 113 -4.802 -6.615 -12.945 1.00 0.00 O ATOM 398 N3 DC B 113 -3.124 -6.243 -14.415 1.00 0.00 N ATOM 399 C4 DC B 113 -1.857 -6.469 -14.784 1.00 0.00 C ATOM 400 N4 DC B 113 -1.386 -5.884 -15.885 1.00 0.00 N ATOM 401 C5 DC B 113 -1.009 -7.332 -14.014 1.00 0.00 C ATOM 402 C6 DC B 113 -1.539 -7.906 -12.915 1.00 0.00 C ATOM 0 H5' DC B 113 -0.293 -7.967 -8.742 1.00 0.00 H new ATOM 0 H5'' DC B 113 -0.466 -9.632 -8.221 1.00 0.00 H new ATOM 0 H4' DC B 113 -2.630 -8.726 -8.317 1.00 0.00 H new ATOM 0 H3' DC B 113 -1.947 -10.904 -10.043 1.00 0.00 H new ATOM 0 H2' DC B 113 -2.745 -10.116 -12.083 1.00 0.00 H new ATOM 0 H2'' DC B 113 -4.341 -10.116 -11.358 1.00 0.00 H new ATOM 0 H1' DC B 113 -4.360 -7.845 -11.161 1.00 0.00 H new ATOM 0 H41 DC B 113 -0.423 -6.048 -16.177 1.00 0.00 H new ATOM 0 H42 DC B 113 -1.989 -5.273 -16.435 1.00 0.00 H new ATOM 0 H5 DC B 113 0.015 -7.515 -14.303 1.00 0.00 H new ATOM 0 H6 DC B 113 -0.934 -8.575 -12.321 1.00 0.00 H new ATOM 414 P DA B 114 -4.504 -12.070 -9.541 1.00 0.00 P ATOM 415 OP1 DA B 114 -5.043 -12.708 -8.318 1.00 0.00 O ATOM 416 OP2 DA B 114 -3.604 -12.832 -10.435 1.00 0.00 O ATOM 417 O5' DA B 114 -5.745 -11.527 -10.416 1.00 0.00 O ATOM 418 C5' DA B 114 -6.721 -10.655 -9.841 1.00 0.00 C ATOM 419 C4' DA B 114 -7.792 -10.246 -10.860 1.00 0.00 C ATOM 420 O4' DA B 114 -7.244 -9.344 -11.861 1.00 0.00 O ATOM 421 C3' DA B 114 -8.379 -11.456 -11.597 1.00 0.00 C ATOM 422 O3' DA B 114 -9.797 -11.500 -11.420 1.00 0.00 O ATOM 423 C2' DA B 114 -8.042 -11.253 -13.054 1.00 0.00 C ATOM 424 C1' DA B 114 -7.553 -9.821 -13.194 1.00 0.00 C ATOM 425 N9 DA B 114 -6.380 -9.737 -14.080 1.00 0.00 N ATOM 426 C8 DA B 114 -5.187 -10.357 -13.950 1.00 0.00 C ATOM 427 N7 DA B 114 -4.306 -10.076 -14.861 1.00 0.00 N ATOM 428 C5 DA B 114 -4.984 -9.181 -15.684 1.00 0.00 C ATOM 429 C6 DA B 114 -4.612 -8.498 -16.845 1.00 0.00 C ATOM 430 N6 DA B 114 -3.404 -8.598 -17.396 1.00 0.00 N ATOM 431 N1 DA B 114 -5.528 -7.695 -17.411 1.00 0.00 N ATOM 432 C2 DA B 114 -6.736 -7.567 -16.867 1.00 0.00 C ATOM 433 N3 DA B 114 -7.192 -8.165 -15.765 1.00 0.00 N ATOM 434 C4 DA B 114 -6.252 -8.967 -15.220 1.00 0.00 C ATOM 0 H5' DA B 114 -6.228 -9.763 -9.454 1.00 0.00 H new ATOM 0 H5'' DA B 114 -7.196 -11.150 -8.994 1.00 0.00 H new ATOM 0 H4' DA B 114 -8.577 -9.752 -10.288 1.00 0.00 H new ATOM 0 H3' DA B 114 -7.974 -12.394 -11.218 1.00 0.00 H new ATOM 0 H2' DA B 114 -7.275 -11.957 -13.375 1.00 0.00 H new ATOM 0 H2'' DA B 114 -8.916 -11.426 -13.681 1.00 0.00 H new ATOM 0 H1' DA B 114 -8.322 -9.199 -13.653 1.00 0.00 H new ATOM 0 H8 DA B 114 -4.980 -11.042 -13.141 1.00 0.00 H new ATOM 0 H61 DA B 114 -3.186 -8.076 -18.245 1.00 0.00 H new ATOM 0 H62 DA B 114 -2.697 -9.196 -16.969 1.00 0.00 H new ATOM 0 H2 DA B 114 -7.423 -6.906 -17.374 1.00 0.00 H new ATOM 446 P DT B 115 -10.680 -12.671 -12.086 1.00 0.00 P ATOM 447 OP1 DT B 115 -11.910 -12.846 -11.284 1.00 0.00 O ATOM 448 OP2 DT B 115 -9.796 -13.827 -12.350 1.00 0.00 O ATOM 449 O5' DT B 115 -11.085 -12.014 -13.500 1.00 0.00 O ATOM 450 C5' DT B 115 -11.834 -10.797 -13.520 1.00 0.00 C ATOM 451 C4' DT B 115 -12.005 -10.237 -14.935 1.00 0.00 C ATOM 452 O4' DT B 115 -10.739 -9.763 -15.454 1.00 0.00 O ATOM 453 C3' DT B 115 -12.550 -11.288 -15.912 1.00 0.00 C ATOM 454 O3' DT B 115 -13.853 -10.908 -16.351 1.00 0.00 O ATOM 455 C2' DT B 115 -11.590 -11.291 -17.085 1.00 0.00 C ATOM 456 C1' DT B 115 -10.586 -10.168 -16.832 1.00 0.00 C ATOM 457 N1 DT B 115 -9.188 -10.608 -17.120 1.00 0.00 N ATOM 458 C2 DT B 115 -8.465 -9.925 -18.089 1.00 0.00 C ATOM 459 O2 DT B 115 -8.939 -8.973 -18.706 1.00 0.00 O ATOM 460 N3 DT B 115 -7.176 -10.372 -18.319 1.00 0.00 N ATOM 461 C4 DT B 115 -6.551 -11.425 -17.677 1.00 0.00 C ATOM 462 O4 DT B 115 -5.395 -11.736 -17.962 1.00 0.00 O ATOM 463 C5 DT B 115 -7.376 -12.080 -16.685 1.00 0.00 C ATOM 464 C7 DT B 115 -6.805 -13.275 -15.912 1.00 0.00 C ATOM 465 C6 DT B 115 -8.640 -11.655 -16.443 1.00 0.00 C ATOM 0 H5' DT B 115 -11.333 -10.056 -12.897 1.00 0.00 H new ATOM 0 H5'' DT B 115 -12.816 -10.971 -13.081 1.00 0.00 H new ATOM 0 H4' DT B 115 -12.720 -9.418 -14.855 1.00 0.00 H new ATOM 0 H3' DT B 115 -12.628 -12.272 -15.450 1.00 0.00 H new ATOM 0 H2' DT B 115 -11.083 -12.252 -17.168 1.00 0.00 H new ATOM 0 H2'' DT B 115 -12.123 -11.130 -18.022 1.00 0.00 H new ATOM 0 H1' DT B 115 -10.780 -9.328 -17.499 1.00 0.00 H new ATOM 0 H3 DT B 115 -6.636 -9.878 -19.029 1.00 0.00 H new ATOM 0 H71 DT B 115 -6.085 -13.802 -16.537 1.00 0.00 H new ATOM 0 H72 DT B 115 -6.310 -12.921 -15.008 1.00 0.00 H new ATOM 0 H73 DT B 115 -7.614 -13.953 -15.640 1.00 0.00 H new ATOM 0 H6 DT B 115 -9.229 -12.161 -15.692 1.00 0.00 H new ATOM 478 P DT B 116 -14.780 -11.917 -17.190 1.00 0.00 P ATOM 479 OP1 DT B 116 -16.187 -11.484 -17.042 1.00 0.00 O ATOM 480 OP2 DT B 116 -14.391 -13.303 -16.845 1.00 0.00 O ATOM 481 O5' DT B 116 -14.319 -11.618 -18.700 1.00 0.00 O ATOM 482 C5' DT B 116 -14.466 -10.304 -19.238 1.00 0.00 C ATOM 483 C4' DT B 116 -13.780 -10.166 -20.599 1.00 0.00 C ATOM 484 O4' DT B 116 -12.341 -10.249 -20.452 1.00 0.00 O ATOM 485 C3' DT B 116 -14.217 -11.260 -21.581 1.00 0.00 C ATOM 486 O3' DT B 116 -15.027 -10.710 -22.624 1.00 0.00 O ATOM 487 C2' DT B 116 -12.937 -11.831 -22.155 1.00 0.00 C ATOM 488 C1' DT B 116 -11.779 -11.112 -21.467 1.00 0.00 C ATOM 489 N1 DT B 116 -10.831 -12.094 -20.873 1.00 0.00 N ATOM 490 C2 DT B 116 -9.528 -12.121 -21.353 1.00 0.00 C ATOM 491 O2 DT B 116 -9.147 -11.366 -22.244 1.00 0.00 O ATOM 492 N3 DT B 116 -8.682 -13.044 -20.769 1.00 0.00 N ATOM 493 C4 DT B 116 -9.013 -13.931 -19.762 1.00 0.00 C ATOM 494 O4 DT B 116 -8.177 -14.713 -19.316 1.00 0.00 O ATOM 495 C5 DT B 116 -10.386 -13.836 -19.322 1.00 0.00 C ATOM 496 C7 DT B 116 -10.872 -14.769 -18.212 1.00 0.00 C ATOM 497 C6 DT B 116 -11.236 -12.937 -19.880 1.00 0.00 C ATOM 0 H5' DT B 116 -14.044 -9.578 -18.543 1.00 0.00 H new ATOM 0 H5'' DT B 116 -15.526 -10.070 -19.340 1.00 0.00 H new ATOM 0 H4' DT B 116 -14.074 -9.194 -20.995 1.00 0.00 H new ATOM 0 H3' DT B 116 -14.815 -12.024 -21.085 1.00 0.00 H new ATOM 0 H2' DT B 116 -12.882 -12.906 -21.980 1.00 0.00 H new ATOM 0 H2'' DT B 116 -12.898 -11.681 -23.234 1.00 0.00 H new ATOM 0 HO3' DT B 116 -15.294 -11.423 -23.241 1.00 0.00 H new ATOM 0 H1' DT B 116 -11.214 -10.521 -22.187 1.00 0.00 H new ATOM 0 H3 DT B 116 -7.722 -13.074 -21.114 1.00 0.00 H new ATOM 0 H71 DT B 116 -11.660 -14.277 -17.642 1.00 0.00 H new ATOM 0 H72 DT B 116 -11.262 -15.687 -18.653 1.00 0.00 H new ATOM 0 H73 DT B 116 -10.041 -15.009 -17.549 1.00 0.00 H new ATOM 0 H6 DT B 116 -12.256 -12.888 -19.530 1.00 0.00 H new TER 511 DT B 116 ATOM 512 O5' DA C 117 0.591 -12.629 -22.113 1.00 0.00 O ATOM 513 C5' DA C 117 1.419 -12.826 -23.264 1.00 0.00 C ATOM 514 C4' DA C 117 0.807 -12.194 -24.520 1.00 0.00 C ATOM 515 O4' DA C 117 -0.377 -12.926 -24.904 1.00 0.00 O ATOM 516 C3' DA C 117 0.387 -10.741 -24.278 1.00 0.00 C ATOM 517 O3' DA C 117 0.716 -9.942 -25.418 1.00 0.00 O ATOM 518 C2' DA C 117 -1.113 -10.793 -24.092 1.00 0.00 C ATOM 519 C1' DA C 117 -1.555 -12.184 -24.531 1.00 0.00 C ATOM 520 N9 DA C 117 -2.268 -12.870 -23.446 1.00 0.00 N ATOM 521 C8 DA C 117 -1.807 -13.837 -22.615 1.00 0.00 C ATOM 522 N7 DA C 117 -2.678 -14.305 -21.773 1.00 0.00 N ATOM 523 C5 DA C 117 -3.826 -13.574 -22.075 1.00 0.00 C ATOM 524 C6 DA C 117 -5.119 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1.00 0.00 H new ATOM 542 P DA C 118 1.067 -8.379 -25.255 1.00 0.00 P ATOM 543 OP1 DA C 118 1.909 -7.980 -26.405 1.00 0.00 O ATOM 544 OP2 DA C 118 1.556 -8.161 -23.876 1.00 0.00 O ATOM 545 O5' DA C 118 -0.363 -7.646 -25.402 1.00 0.00 O ATOM 546 C5' DA C 118 -1.106 -7.757 -26.619 1.00 0.00 C ATOM 547 C4' DA C 118 -2.435 -6.992 -26.561 1.00 0.00 C ATOM 548 O4' DA C 118 -3.356 -7.641 -25.647 1.00 0.00 O ATOM 549 C3' DA C 118 -2.234 -5.556 -26.066 1.00 0.00 C ATOM 550 O3' DA C 118 -3.034 -4.645 -26.829 1.00 0.00 O ATOM 551 C2' DA C 118 -2.709 -5.566 -24.634 1.00 0.00 C ATOM 552 C1' DA C 118 -3.529 -6.833 -24.458 1.00 0.00 C ATOM 553 N9 DA C 118 -3.108 -7.573 -23.267 1.00 0.00 N ATOM 554 C8 DA C 118 -1.874 -8.043 -22.977 1.00 0.00 C ATOM 555 N7 DA C 118 -1.792 -8.764 -21.899 1.00 0.00 N ATOM 556 C5 DA C 118 -3.104 -8.766 -21.424 1.00 0.00 C ATOM 557 C6 DA C 118 -3.705 -9.351 -20.305 1.00 0.00 C ATOM 558 N6 DA C 118 -3.035 -10.106 -19.432 1.00 0.00 N ATOM 559 N1 DA C 118 -5.025 -9.148 -20.129 1.00 0.00 N ATOM 560 C2 DA C 118 -5.716 -8.414 -21.005 1.00 0.00 C ATOM 561 N3 DA C 118 -5.242 -7.819 -22.100 1.00 0.00 N ATOM 562 C4 DA C 118 -3.916 -8.040 -22.249 1.00 0.00 C ATOM 0 H5' DA C 118 -1.303 -8.809 -26.827 1.00 0.00 H new ATOM 0 H5'' DA C 118 -0.505 -7.376 -27.445 1.00 0.00 H new ATOM 0 H4' DA C 118 -2.836 -6.982 -27.574 1.00 0.00 H new ATOM 0 H3' DA C 118 -1.196 -5.238 -26.163 1.00 0.00 H new ATOM 0 H2' DA C 118 -1.864 -5.552 -23.945 1.00 0.00 H new ATOM 0 H2'' DA C 118 -3.310 -4.682 -24.419 1.00 0.00 H new ATOM 0 H1' DA C 118 -4.580 -6.578 -24.321 1.00 0.00 H new ATOM 0 H8 DA C 118 -1.016 -7.834 -23.598 1.00 0.00 H new ATOM 0 H61 DA C 118 -3.519 -10.511 -18.631 1.00 0.00 H new ATOM 0 H62 DA C 118 -2.039 -10.278 -19.566 1.00 0.00 H new ATOM 0 H2 DA C 118 -6.770 -8.289 -20.805 1.00 0.00 H new ATOM 574 P DT C 119 -3.013 -3.063 -26.516 1.00 0.00 P ATOM 575 OP1 DT C 119 -3.421 -2.345 -27.745 1.00 0.00 O ATOM 576 OP2 DT C 119 -1.729 -2.735 -25.859 1.00 0.00 O ATOM 577 O5' DT C 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-20.348 1.00 0.00 H new ATOM 0 H3' DG C 120 -9.855 0.952 -20.027 1.00 0.00 H new ATOM 0 H2' DG C 120 -8.074 0.417 -18.607 1.00 0.00 H new ATOM 0 H2'' DG C 120 -9.301 0.055 -17.409 1.00 0.00 H new ATOM 0 H1' DG C 120 -9.051 -2.226 -17.670 1.00 0.00 H new ATOM 0 H8 DG C 120 -6.315 -0.556 -19.819 1.00 0.00 H new ATOM 0 H1 DG C 120 -4.312 -4.926 -15.588 1.00 0.00 H new ATOM 0 H21 DG C 120 -7.677 -5.293 -14.828 1.00 0.00 H new ATOM 0 H22 DG C 120 -6.007 -5.770 -14.501 1.00 0.00 H new ATOM 639 P DT C 121 -11.517 1.450 -17.788 1.00 0.00 P ATOM 640 OP1 DT C 121 -12.972 1.711 -17.708 1.00 0.00 O ATOM 641 OP2 DT C 121 -10.589 2.537 -18.172 1.00 0.00 O ATOM 642 O5' DT C 121 -11.032 0.843 -16.381 1.00 0.00 O ATOM 643 C5' DT C 121 -11.680 -0.307 -15.840 1.00 0.00 C ATOM 644 C4' DT C 121 -10.941 -0.859 -14.618 1.00 0.00 C ATOM 645 O4' DT C 121 -9.685 -1.481 -14.985 1.00 0.00 O ATOM 646 C3' DT C 121 -10.635 0.239 -13.589 1.00 0.00 C ATOM 647 O3' DT C 121 -11.425 0.051 -12.416 1.00 0.00 O ATOM 648 C2' DT C 121 -9.164 0.075 -13.260 1.00 0.00 C ATOM 649 C1' DT C 121 -8.708 -1.198 -13.962 1.00 0.00 C ATOM 650 N1 DT C 121 -7.325 -1.064 -14.519 1.00 0.00 N ATOM 651 C2 DT C 121 -6.347 -1.934 -14.047 1.00 0.00 C ATOM 652 O2 DT C 121 -6.594 -2.796 -13.206 1.00 0.00 O ATOM 653 N3 DT C 121 -5.081 -1.779 -14.580 1.00 0.00 N ATOM 654 C4 DT C 121 -4.704 -0.849 -15.529 1.00 0.00 C ATOM 655 O4 DT C 121 -3.543 -0.799 -15.931 1.00 0.00 O ATOM 656 C5 DT C 121 -5.778 0.010 -15.968 1.00 0.00 C ATOM 657 C7 DT C 121 -5.488 1.087 -17.014 1.00 0.00 C ATOM 658 C6 DT C 121 -7.025 -0.118 -15.466 1.00 0.00 C ATOM 0 H5' DT C 121 -11.744 -1.081 -16.605 1.00 0.00 H new ATOM 0 H5'' DT C 121 -12.702 -0.050 -15.560 1.00 0.00 H new ATOM 0 H4' DT C 121 -11.610 -1.600 -14.181 1.00 0.00 H new ATOM 0 H3' DT C 121 -10.861 1.234 -13.973 1.00 0.00 H new ATOM 0 H2' DT C 121 -8.590 0.936 -13.604 1.00 0.00 H new ATOM 0 H2'' DT C 121 -9.012 0.001 -12.183 1.00 0.00 H new ATOM 0 H1' DT C 121 -8.648 -2.027 -13.257 1.00 0.00 H new ATOM 0 H3 DT C 121 -4.356 -2.411 -14.240 1.00 0.00 H new ATOM 0 H71 DT C 121 -6.384 1.268 -17.608 1.00 0.00 H new ATOM 0 H72 DT C 121 -5.192 2.009 -16.514 1.00 0.00 H new ATOM 0 H73 DT C 121 -4.681 0.753 -17.666 1.00 0.00 H new ATOM 0 H6 DT C 121 -7.805 0.540 -15.819 1.00 0.00 H new ATOM 671 P DT C 122 -11.312 1.063 -11.172 1.00 0.00 P ATOM 672 OP1 DT C 122 -12.580 1.004 -10.410 1.00 0.00 O ATOM 673 OP2 DT C 122 -10.814 2.362 -11.676 1.00 0.00 O ATOM 674 O5' DT C 122 -10.155 0.399 -10.275 1.00 0.00 O ATOM 675 C5' DT C 122 -10.315 -0.921 -9.759 1.00 0.00 C ATOM 676 C4' DT C 122 -9.102 -1.360 -8.935 1.00 0.00 C ATOM 677 O4' DT C 122 -7.943 -1.512 -9.790 1.00 0.00 O ATOM 678 C3' DT C 122 -8.753 -0.343 -7.841 1.00 0.00 C ATOM 679 O3' DT C 122 -8.888 -0.944 -6.555 1.00 0.00 O ATOM 680 C2' DT C 122 -7.312 0.044 -8.083 1.00 0.00 C ATOM 681 C1' DT C 122 -6.801 -0.837 -9.219 1.00 0.00 C ATOM 682 N1 DT C 122 -6.090 -0.026 -10.251 1.00 0.00 N ATOM 683 C2 DT C 122 -4.761 -0.327 -10.516 1.00 0.00 C ATOM 684 O2 DT C 122 -4.157 -1.208 -9.907 1.00 0.00 O ATOM 685 N3 DT C 122 -4.149 0.424 -11.501 1.00 0.00 N ATOM 686 C4 DT C 122 -4.732 1.437 -12.236 1.00 0.00 C ATOM 687 O4 DT C 122 -4.092 2.031 -13.100 1.00 0.00 O ATOM 688 C5 DT C 122 -6.113 1.693 -11.896 1.00 0.00 C ATOM 689 C7 DT C 122 -6.860 2.808 -12.637 1.00 0.00 C ATOM 690 C6 DT C 122 -6.740 0.971 -10.935 1.00 0.00 C ATOM 0 H5' DT C 122 -10.466 -1.618 -10.584 1.00 0.00 H new ATOM 0 H5'' DT C 122 -11.210 -0.963 -9.139 1.00 0.00 H new ATOM 0 H4' DT C 122 -9.366 -2.309 -8.468 1.00 0.00 H new ATOM 0 H3' DT C 122 -9.413 0.524 -7.871 1.00 0.00 H new ATOM 0 H2' DT C 122 -7.235 1.099 -8.348 1.00 0.00 H new ATOM 0 H2'' DT C 122 -6.716 -0.103 -7.182 1.00 0.00 H new ATOM 0 H1' DT C 122 -6.081 -1.562 -8.839 1.00 0.00 H new ATOM 0 H3 DT C 122 -3.173 0.210 -11.705 1.00 0.00 H new ATOM 0 H71 DT C 122 -7.920 2.560 -12.695 1.00 0.00 H new ATOM 0 H72 DT C 122 -6.736 3.748 -12.100 1.00 0.00 H new ATOM 0 H73 DT C 122 -6.456 2.910 -13.644 1.00 0.00 H new ATOM 0 H6 DT C 122 -7.773 1.185 -10.703 1.00 0.00 H new ATOM 703 P DT C 123 -8.732 -0.081 -5.205 1.00 0.00 P ATOM 704 OP1 DT C 123 -9.478 -0.764 -4.126 1.00 0.00 O ATOM 705 OP2 DT C 123 -9.022 1.330 -5.527 1.00 0.00 O ATOM 706 O5' DT C 123 -7.166 -0.189 -4.882 1.00 0.00 O ATOM 707 C5' DT C 123 -6.577 -1.463 -4.658 1.00 0.00 C ATOM 708 C4' DT C 123 -5.084 -1.348 -4.367 1.00 0.00 C ATOM 709 O4' DT C 123 -4.356 -0.929 -5.555 1.00 0.00 O ATOM 710 C3' DT C 123 -4.792 -0.314 -3.274 1.00 0.00 C ATOM 711 O3' DT C 123 -4.000 -0.946 -2.264 1.00 0.00 O ATOM 712 C2' DT C 123 -4.041 0.801 -3.940 1.00 0.00 C ATOM 713 C1' DT C 123 -3.545 0.239 -5.261 1.00 0.00 C ATOM 714 N1 DT C 123 -3.595 1.242 -6.374 1.00 0.00 N ATOM 715 C2 DT C 123 -2.416 1.483 -7.076 1.00 0.00 C ATOM 716 O2 DT C 123 -1.366 0.906 -6.799 1.00 0.00 O ATOM 717 N3 DT C 123 -2.489 2.405 -8.104 1.00 0.00 N ATOM 718 C4 DT C 123 -3.618 3.102 -8.494 1.00 0.00 C ATOM 719 O4 DT C 123 -3.567 3.904 -9.425 1.00 0.00 O ATOM 720 C5 DT C 123 -4.800 2.797 -7.720 1.00 0.00 C ATOM 721 C7 DT C 123 -6.113 3.513 -8.063 1.00 0.00 C ATOM 722 C6 DT C 123 -4.760 1.896 -6.706 1.00 0.00 C ATOM 0 H5' DT C 123 -6.730 -2.094 -5.533 1.00 0.00 H new ATOM 0 H5'' DT C 123 -7.075 -1.953 -3.821 1.00 0.00 H new ATOM 0 H4' DT C 123 -4.763 -2.337 -4.039 1.00 0.00 H new ATOM 0 H3' DT C 123 -5.694 0.076 -2.803 1.00 0.00 H new ATOM 0 H2' DT C 123 -4.686 1.665 -4.101 1.00 0.00 H new ATOM 0 H2'' DT C 123 -3.209 1.136 -3.321 1.00 0.00 H new ATOM 0 H1' DT C 123 -2.492 -0.030 -5.175 1.00 0.00 H new ATOM 0 H3 DT C 123 -1.630 2.588 -8.623 1.00 0.00 H new ATOM 0 H71 DT C 123 -5.894 4.501 -8.468 1.00 0.00 H new ATOM 0 H72 DT C 123 -6.662 2.931 -8.803 1.00 0.00 H new ATOM 0 H73 DT C 123 -6.717 3.616 -7.162 1.00 0.00 H new ATOM 0 H6 DT C 123 -5.661 1.688 -6.148 1.00 0.00 H new ATOM 735 P DA C 124 -3.467 -0.174 -0.958 1.00 0.00 P ATOM 736 OP1 DA C 124 -3.542 -1.094 0.197 1.00 0.00 O ATOM 737 OP2 DA C 124 -4.136 1.145 -0.898 1.00 0.00 O ATOM 738 O5' DA C 124 -1.911 0.072 -1.322 1.00 0.00 O ATOM 739 C5' DA C 124 -1.088 -1.071 -1.587 1.00 0.00 C ATOM 740 C4' DA C 124 0.389 -0.732 -1.841 1.00 0.00 C ATOM 741 O4' DA C 124 0.517 0.019 -3.074 1.00 0.00 O ATOM 742 C3' DA C 124 0.979 0.123 -0.714 1.00 0.00 C ATOM 743 O3' DA C 124 2.257 -0.375 -0.308 1.00 0.00 O ATOM 744 C2' DA C 124 1.123 1.506 -1.294 1.00 0.00 C ATOM 745 C1' DA C 124 0.969 1.367 -2.803 1.00 0.00 C ATOM 746 N9 DA C 124 0.023 2.361 -3.339 1.00 0.00 N ATOM 747 C8 DA C 124 -1.222 2.657 -2.906 1.00 0.00 C ATOM 748 N7 DA C 124 -1.838 3.588 -3.569 1.00 0.00 N ATOM 749 C5 DA C 124 -0.908 3.943 -4.539 1.00 0.00 C ATOM 750 C6 DA C 124 -0.932 4.880 -5.573 1.00 0.00 C ATOM 751 N6 DA C 124 -1.972 5.685 -5.799 1.00 0.00 N ATOM 752 N1 DA C 124 0.163 4.972 -6.350 1.00 0.00 N ATOM 753 C2 DA C 124 1.219 4.187 -6.118 1.00 0.00 C ATOM 754 N3 DA C 124 1.343 3.269 -5.167 1.00 0.00 N ATOM 755 C4 DA C 124 0.232 3.200 -4.408 1.00 0.00 C ATOM 0 H5' DA C 124 -1.484 -1.597 -2.455 1.00 0.00 H new ATOM 0 H5'' DA C 124 -1.153 -1.756 -0.742 1.00 0.00 H new ATOM 0 H4' DA C 124 0.928 -1.678 -1.896 1.00 0.00 H new ATOM 0 H3' DA C 124 0.341 0.110 0.170 1.00 0.00 H new ATOM 0 H2' DA C 124 0.366 2.177 -0.888 1.00 0.00 H new ATOM 0 H2'' DA C 124 2.094 1.932 -1.042 1.00 0.00 H new ATOM 0 H1' DA C 124 1.924 1.552 -3.295 1.00 0.00 H new ATOM 0 H8 DA C 124 -1.675 2.153 -2.065 1.00 0.00 H new ATOM 0 H61 DA C 124 -1.941 6.354 -6.568 1.00 0.00 H new ATOM 0 H62 DA C 124 -2.798 5.631 -5.202 1.00 0.00 H new ATOM 0 H2 DA C 124 2.065 4.313 -6.777 1.00 0.00 H new ATOM 767 P DT C 125 3.081 0.360 0.868 1.00 0.00 P ATOM 768 OP1 DT C 125 3.991 -0.632 1.484 1.00 0.00 O ATOM 769 OP2 DT C 125 2.120 1.107 1.712 1.00 0.00 O ATOM 770 O5' DT C 125 3.975 1.428 0.053 1.00 0.00 O ATOM 771 C5' DT C 125 4.949 0.942 -0.871 1.00 0.00 C ATOM 772 C4' DT C 125 5.664 2.052 -1.655 1.00 0.00 C ATOM 773 O4' DT C 125 4.766 2.660 -2.615 1.00 0.00 O ATOM 774 C3' DT C 125 6.215 3.174 -0.758 1.00 0.00 C ATOM 775 O3' DT C 125 7.630 3.318 -0.948 1.00 0.00 O ATOM 776 C2' DT C 125 5.522 4.434 -1.220 1.00 0.00 C ATOM 777 C1' DT C 125 4.903 4.095 -2.569 1.00 0.00 C ATOM 778 N1 DT C 125 3.593 4.776 -2.818 1.00 0.00 N ATOM 779 C2 DT C 125 3.433 5.463 -4.019 1.00 0.00 C ATOM 780 O2 DT C 125 4.337 5.544 -4.849 1.00 0.00 O ATOM 781 N3 DT C 125 2.201 6.048 -4.230 1.00 0.00 N ATOM 782 C4 DT C 125 1.124 6.011 -3.365 1.00 0.00 C ATOM 783 O4 DT C 125 0.049 6.509 -3.677 1.00 0.00 O ATOM 784 C5 DT C 125 1.377 5.293 -2.145 1.00 0.00 C ATOM 785 C7 DT C 125 0.289 5.250 -1.078 1.00 0.00 C ATOM 786 C6 DT C 125 2.568 4.705 -1.912 1.00 0.00 C ATOM 0 H5' DT C 125 4.463 0.267 -1.576 1.00 0.00 H new ATOM 0 H5'' DT C 125 5.691 0.357 -0.328 1.00 0.00 H new ATOM 0 H4' DT C 125 6.502 1.561 -2.151 1.00 0.00 H new ATOM 0 H3' DT C 125 6.040 2.962 0.297 1.00 0.00 H new ATOM 0 H2' DT C 125 4.759 4.745 -0.506 1.00 0.00 H new ATOM 0 H2'' DT C 125 6.229 5.259 -1.310 1.00 0.00 H new ATOM 0 H1' DT C 125 5.553 4.462 -3.363 1.00 0.00 H new ATOM 0 H3 DT C 125 2.074 6.555 -5.106 1.00 0.00 H new ATOM 0 H71 DT C 125 0.367 4.319 -0.516 1.00 0.00 H new ATOM 0 H72 DT C 125 0.411 6.094 -0.400 1.00 0.00 H new ATOM 0 H73 DT C 125 -0.690 5.306 -1.554 1.00 0.00 H new ATOM 0 H6 DT C 125 2.717 4.165 -0.989 1.00 0.00 H new ATOM 799 P DC C 126 8.465 4.430 -0.126 1.00 0.00 P ATOM 800 OP1 DC C 126 9.842 3.928 0.083 1.00 0.00 O ATOM 801 OP2 DC C 126 7.654 4.851 1.037 1.00 0.00 O ATOM 802 O5' DC C 126 8.532 5.665 -1.169 1.00 0.00 O ATOM 803 C5' DC C 126 9.157 5.487 -2.448 1.00 0.00 C ATOM 804 C4' DC C 126 9.132 6.759 -3.312 1.00 0.00 C ATOM 805 O4' DC C 126 7.790 7.041 -3.785 1.00 0.00 O ATOM 806 C3' DC C 126 9.640 7.985 -2.540 1.00 0.00 C ATOM 807 O3' DC C 126 10.863 8.466 -3.093 1.00 0.00 O ATOM 808 C2' DC C 126 8.562 9.041 -2.697 1.00 0.00 C ATOM 809 C1' DC C 126 7.426 8.411 -3.501 1.00 0.00 C ATOM 810 N1 DC C 126 6.159 8.462 -2.732 1.00 0.00 N ATOM 811 C2 DC C 126 5.066 9.138 -3.276 1.00 0.00 C ATOM 812 O2 DC C 126 5.163 9.708 -4.363 1.00 0.00 O ATOM 813 N3 DC C 126 3.908 9.158 -2.567 1.00 0.00 N ATOM 814 C4 DC C 126 3.818 8.548 -1.381 1.00 0.00 C ATOM 815 N4 DC C 126 2.667 8.588 -0.719 1.00 0.00 N ATOM 816 C5 DC C 126 4.932 7.855 -0.819 1.00 0.00 C ATOM 817 C6 DC C 126 6.075 7.839 -1.527 1.00 0.00 C ATOM 0 H5' DC C 126 8.654 4.681 -2.983 1.00 0.00 H new ATOM 0 H5'' DC C 126 10.191 5.175 -2.301 1.00 0.00 H new ATOM 0 H4' DC C 126 9.794 6.569 -4.157 1.00 0.00 H new ATOM 0 H3' DC C 126 9.833 7.738 -1.496 1.00 0.00 H new ATOM 0 H2' DC C 126 8.205 9.374 -1.722 1.00 0.00 H new ATOM 0 H2'' DC C 126 8.955 9.919 -3.210 1.00 0.00 H new ATOM 0 H1' DC C 126 7.272 8.960 -4.430 1.00 0.00 H new ATOM 0 H41 DC C 126 2.584 8.127 0.187 1.00 0.00 H new ATOM 0 H42 DC C 126 1.867 9.080 -1.117 1.00 0.00 H new ATOM 0 H5 DC C 126 4.860 7.362 0.139 1.00 0.00 H new ATOM 0 H6 DC C 126 6.938 7.324 -1.133 1.00 0.00 H new ATOM 829 P DT C 127 11.713 9.588 -2.314 1.00 0.00 P ATOM 830 OP1 DT C 127 13.105 9.546 -2.814 1.00 0.00 O ATOM 831 OP2 DT C 127 11.445 9.453 -0.864 1.00 0.00 O ATOM 832 O5' DT C 127 11.033 10.951 -2.827 1.00 0.00 O ATOM 833 C5' DT C 127 11.063 11.294 -4.211 1.00 0.00 C ATOM 834 C4' DT C 127 10.347 12.620 -4.474 1.00 0.00 C ATOM 835 O4' DT C 127 8.914 12.463 -4.286 1.00 0.00 O ATOM 836 C3' DT C 127 10.824 13.734 -3.527 1.00 0.00 C ATOM 837 O3' DT C 127 11.380 14.817 -4.274 1.00 0.00 O ATOM 838 C2' DT C 127 9.596 14.197 -2.782 1.00 0.00 C ATOM 839 C1' DT C 127 8.406 13.524 -3.448 1.00 0.00 C ATOM 840 N1 DT C 127 7.433 13.019 -2.430 1.00 0.00 N ATOM 841 C2 DT C 127 6.141 13.530 -2.459 1.00 0.00 C ATOM 842 O2 DT C 127 5.786 14.355 -3.299 1.00 0.00 O ATOM 843 N3 DT C 127 5.276 13.067 -1.488 1.00 0.00 N ATOM 844 C4 DT C 127 5.575 12.145 -0.502 1.00 0.00 C ATOM 845 O4 DT C 127 4.726 11.813 0.320 1.00 0.00 O ATOM 846 C5 DT C 127 6.933 11.654 -0.543 1.00 0.00 C ATOM 847 C7 DT C 127 7.372 10.620 0.499 1.00 0.00 C ATOM 848 C6 DT C 127 7.806 12.093 -1.484 1.00 0.00 C ATOM 0 H5' DT C 127 10.592 10.503 -4.794 1.00 0.00 H new ATOM 0 H5'' DT C 127 12.097 11.365 -4.547 1.00 0.00 H new ATOM 0 H4' DT C 127 10.579 12.901 -5.501 1.00 0.00 H new ATOM 0 H3' DT C 127 11.597 13.375 -2.848 1.00 0.00 H new ATOM 0 H2' DT C 127 9.656 13.924 -1.728 1.00 0.00 H new ATOM 0 H2'' DT C 127 9.502 15.282 -2.826 1.00 0.00 H new ATOM 0 H1' DT C 127 7.856 14.239 -4.060 1.00 0.00 H new ATOM 0 H3 DT C 127 4.327 13.440 -1.499 1.00 0.00 H new ATOM 0 H71 DT C 127 6.809 10.770 1.420 1.00 0.00 H new ATOM 0 H72 DT C 127 7.183 9.616 0.118 1.00 0.00 H new ATOM 0 H73 DT C 127 8.437 10.737 0.702 1.00 0.00 H new ATOM 0 H6 DT C 127 8.815 11.707 -1.490 1.00 0.00 H new ATOM 861 P DG C 128 11.959 16.123 -3.531 1.00 0.00 P ATOM 862 OP1 DG C 128 12.954 16.764 -4.421 1.00 0.00 O ATOM 863 OP2 DG C 128 12.336 15.742 -2.152 1.00 0.00 O ATOM 864 O5' DG C 128 10.656 17.067 -3.457 1.00 0.00 O ATOM 865 C5' DG C 128 10.012 17.467 -4.668 1.00 0.00 C ATOM 866 C4' DG C 128 8.783 18.348 -4.426 1.00 0.00 C ATOM 867 O4' DG C 128 7.748 17.587 -3.766 1.00 0.00 O ATOM 868 C3' DG C 128 9.099 19.575 -3.560 1.00 0.00 C ATOM 869 O3' DG C 128 8.802 20.760 -4.298 1.00 0.00 O ATOM 870 C2' DG C 128 8.195 19.470 -2.351 1.00 0.00 C ATOM 871 C1' DG C 128 7.293 18.263 -2.575 1.00 0.00 C ATOM 872 N9 DG C 128 7.335 17.357 -1.419 1.00 0.00 N ATOM 873 C8 DG C 128 8.410 16.746 -0.869 1.00 0.00 C ATOM 874 N7 DG C 128 8.155 15.981 0.150 1.00 0.00 N ATOM 875 C5 DG C 128 6.774 16.099 0.294 1.00 0.00 C ATOM 876 C6 DG C 128 5.902 15.496 1.239 1.00 0.00 C ATOM 877 O6 DG C 128 6.183 14.719 2.148 1.00 0.00 O ATOM 878 N1 DG C 128 4.583 15.884 1.035 1.00 0.00 N ATOM 879 C2 DG C 128 4.155 16.744 0.044 1.00 0.00 C ATOM 880 N2 DG C 128 2.848 17.008 0.017 1.00 0.00 N ATOM 881 N3 DG C 128 4.973 17.311 -0.848 1.00 0.00 N ATOM 882 C4 DG C 128 6.262 16.945 -0.664 1.00 0.00 C ATOM 0 H5' DG C 128 9.712 16.579 -5.225 1.00 0.00 H new ATOM 0 H5'' DG C 128 10.724 18.009 -5.291 1.00 0.00 H new ATOM 0 H4' DG C 128 8.452 18.692 -5.406 1.00 0.00 H new ATOM 0 H3' DG C 128 10.148 19.615 -3.267 1.00 0.00 H new ATOM 0 H2' DG C 128 8.781 19.350 -1.440 1.00 0.00 H new ATOM 0 H2'' DG C 128 7.603 20.377 -2.232 1.00 0.00 H new ATOM 0 H1' DG C 128 6.259 18.586 -2.695 1.00 0.00 H new ATOM 0 H8 DG C 128 9.411 16.885 -1.251 1.00 0.00 H new ATOM 0 H1 DG C 128 3.877 15.504 1.666 1.00 0.00 H new ATOM 0 H21 DG C 128 2.469 17.636 -0.692 1.00 0.00 H new ATOM 0 H22 DG C 128 2.227 16.581 0.705 1.00 0.00 H new ATOM 894 P DC C 129 9.217 22.222 -3.769 1.00 0.00 P ATOM 895 OP1 DC C 129 9.328 23.122 -4.938 1.00 0.00 O ATOM 896 OP2 DC C 129 10.366 22.065 -2.848 1.00 0.00 O ATOM 897 O5' DC C 129 7.941 22.683 -2.903 1.00 0.00 O ATOM 898 C5' DC C 129 6.660 22.791 -3.525 1.00 0.00 C ATOM 899 C4' DC C 129 5.579 23.264 -2.548 1.00 0.00 C ATOM 900 O4' DC C 129 5.313 22.246 -1.549 1.00 0.00 O ATOM 901 C3' DC C 129 6.010 24.539 -1.812 1.00 0.00 C ATOM 902 O3' DC C 129 4.966 25.516 -1.910 1.00 0.00 O ATOM 903 C2' DC C 129 6.210 24.134 -0.375 1.00 0.00 C ATOM 904 C1' DC C 129 5.582 22.755 -0.220 1.00 0.00 C ATOM 905 N1 DC C 129 6.452 21.804 0.543 1.00 0.00 N ATOM 906 C2 DC C 129 5.884 21.138 1.629 1.00 0.00 C ATOM 907 O2 DC C 129 4.724 21.380 1.957 1.00 0.00 O ATOM 908 N3 DC C 129 6.637 20.229 2.303 1.00 0.00 N ATOM 909 C4 DC C 129 7.897 19.973 1.940 1.00 0.00 C ATOM 910 N4 DC C 129 8.599 19.061 2.615 1.00 0.00 N ATOM 911 C5 DC C 129 8.496 20.650 0.831 1.00 0.00 C ATOM 912 C6 DC C 129 7.745 21.551 0.162 1.00 0.00 C ATOM 0 H5' DC C 129 6.376 21.823 -3.937 1.00 0.00 H new ATOM 0 H5'' DC C 129 6.722 23.488 -4.361 1.00 0.00 H new ATOM 0 H4' DC C 129 4.685 23.463 -3.139 1.00 0.00 H new ATOM 0 H3' DC C 129 6.918 24.972 -2.232 1.00 0.00 H new ATOM 0 H2' DC C 129 7.270 24.107 -0.124 1.00 0.00 H new ATOM 0 H2'' DC C 129 5.741 24.851 0.299 1.00 0.00 H new ATOM 0 H1' DC C 129 4.664 22.847 0.360 1.00 0.00 H new ATOM 0 H41 DC C 129 9.562 18.857 2.347 1.00 0.00 H new ATOM 0 H42 DC C 129 8.173 18.567 3.399 1.00 0.00 H new ATOM 0 H5 DC C 129 9.516 20.447 0.538 1.00 0.00 H new ATOM 0 H6 DC C 129 8.167 22.078 -0.681 1.00 0.00 H new ATOM 924 P DA C 130 5.094 26.977 -1.243 1.00 0.00 P ATOM 925 OP1 DA C 130 4.318 27.927 -2.071 1.00 0.00 O ATOM 926 OP2 DA C 130 6.527 27.237 -0.979 1.00 0.00 O ATOM 927 O5' DA C 130 4.339 26.817 0.174 1.00 0.00 O ATOM 928 C5' DA C 130 2.958 26.445 0.209 1.00 0.00 C ATOM 929 C4' DA C 130 2.412 26.341 1.643 1.00 0.00 C ATOM 930 O4' DA C 130 2.978 25.194 2.326 1.00 0.00 O ATOM 931 C3' DA C 130 2.735 27.589 2.476 1.00 0.00 C ATOM 932 O3' DA C 130 1.536 28.178 2.983 1.00 0.00 O ATOM 933 C2' DA C 130 3.575 27.107 3.633 1.00 0.00 C ATOM 934 C1' DA C 130 3.583 25.592 3.580 1.00 0.00 C ATOM 935 N9 DA C 130 4.952 25.069 3.697 1.00 0.00 N ATOM 936 C8 DA C 130 6.010 25.313 2.896 1.00 0.00 C ATOM 937 N7 DA C 130 7.101 24.677 3.204 1.00 0.00 N ATOM 938 C5 DA C 130 6.724 23.944 4.327 1.00 0.00 C ATOM 939 C6 DA C 130 7.415 23.052 5.152 1.00 0.00 C ATOM 940 N6 DA C 130 8.687 22.712 4.948 1.00 0.00 N ATOM 941 N1 DA C 130 6.739 22.508 6.180 1.00 0.00 N ATOM 942 C2 DA C 130 5.457 22.822 6.382 1.00 0.00 C ATOM 943 N3 DA C 130 4.711 23.650 5.656 1.00 0.00 N ATOM 944 C4 DA C 130 5.416 24.179 4.637 1.00 0.00 C ATOM 0 H5' DA C 130 2.830 25.487 -0.295 1.00 0.00 H new ATOM 0 H5'' DA C 130 2.373 27.178 -0.347 1.00 0.00 H new ATOM 0 H4' DA C 130 1.331 26.240 1.551 1.00 0.00 H new ATOM 0 H3' DA C 130 3.248 28.339 1.874 1.00 0.00 H new ATOM 0 H2' DA C 130 4.589 27.500 3.562 1.00 0.00 H new ATOM 0 H2'' DA C 130 3.163 27.457 4.580 1.00 0.00 H new ATOM 0 H1' DA C 130 3.017 25.181 4.416 1.00 0.00 H new ATOM 0 H8 DA C 130 5.954 25.990 2.057 1.00 0.00 H new ATOM 0 H61 DA C 130 9.147 22.056 5.579 1.00 0.00 H new ATOM 0 H62 DA C 130 9.201 23.108 4.161 1.00 0.00 H new ATOM 0 H2 DA C 130 4.974 22.353 7.226 1.00 0.00 H new ATOM 956 P DA C 131 1.601 29.505 3.892 1.00 0.00 P ATOM 957 OP1 DA C 131 0.300 30.202 3.784 1.00 0.00 O ATOM 958 OP2 DA C 131 2.856 30.225 3.578 1.00 0.00 O ATOM 959 O5' DA C 131 1.725 28.888 5.379 1.00 0.00 O ATOM 960 C5' DA C 131 0.688 28.055 5.902 1.00 0.00 C ATOM 961 C4' DA C 131 0.990 27.567 7.328 1.00 0.00 C ATOM 962 O4' DA C 131 2.066 26.596 7.325 1.00 0.00 O ATOM 963 C3' DA C 131 1.393 28.717 8.259 1.00 0.00 C ATOM 964 O3' DA C 131 0.489 28.825 9.362 1.00 0.00 O ATOM 965 C2' DA C 131 2.757 28.349 8.792 1.00 0.00 C ATOM 966 C1' DA C 131 3.058 26.938 8.320 1.00 0.00 C ATOM 967 N9 DA C 131 4.419 26.838 7.775 1.00 0.00 N ATOM 968 C8 DA C 131 4.950 27.498 6.724 1.00 0.00 C ATOM 969 N7 DA C 131 6.184 27.199 6.443 1.00 0.00 N ATOM 970 C5 DA C 131 6.502 26.247 7.411 1.00 0.00 C ATOM 971 C6 DA C 131 7.666 25.517 7.681 1.00 0.00 C ATOM 972 N6 DA C 131 8.785 25.642 6.968 1.00 0.00 N ATOM 973 N1 DA C 131 7.635 24.661 8.720 1.00 0.00 N ATOM 974 C2 DA C 131 6.525 24.532 9.450 1.00 0.00 C ATOM 975 N3 DA C 131 5.372 25.174 9.278 1.00 0.00 N ATOM 976 C4 DA C 131 5.432 26.023 8.230 1.00 0.00 C ATOM 0 H5' DA C 131 0.553 27.194 5.247 1.00 0.00 H new ATOM 0 H5'' DA C 131 -0.252 28.607 5.901 1.00 0.00 H new ATOM 0 H4' DA C 131 0.069 27.114 7.695 1.00 0.00 H new ATOM 0 H3' DA C 131 1.384 29.667 7.724 1.00 0.00 H new ATOM 0 H2' DA C 131 3.513 29.046 8.429 1.00 0.00 H new ATOM 0 H2'' DA C 131 2.772 28.402 9.881 1.00 0.00 H new ATOM 0 H1' DA C 131 3.011 26.240 9.156 1.00 0.00 H new ATOM 0 H8 DA C 131 4.389 28.225 6.155 1.00 0.00 H new ATOM 0 H61 DA C 131 9.606 25.086 7.206 1.00 0.00 H new ATOM 0 H62 DA C 131 8.820 26.293 6.184 1.00 0.00 H new ATOM 0 H2 DA C 131 6.567 23.830 10.270 1.00 0.00 H new ATOM 988 P DC C 132 0.679 29.994 10.456 1.00 0.00 P ATOM 989 OP1 DC C 132 -0.632 30.233 11.102 1.00 0.00 O ATOM 990 OP2 DC C 132 1.401 31.115 9.816 1.00 0.00 O ATOM 991 O5' DC C 132 1.657 29.312 11.547 1.00 0.00 O ATOM 992 C5' DC C 132 1.306 28.071 12.165 1.00 0.00 C ATOM 993 C4' DC C 132 2.440 27.508 13.036 1.00 0.00 C ATOM 994 O4' DC C 132 3.542 27.027 12.230 1.00 0.00 O ATOM 995 C3' DC C 132 2.996 28.555 14.012 1.00 0.00 C ATOM 996 O3' DC C 132 2.636 28.232 15.357 1.00 0.00 O ATOM 997 C2' DC C 132 4.504 28.501 13.847 1.00 0.00 C ATOM 998 C1' DC C 132 4.798 27.412 12.831 1.00 0.00 C ATOM 999 N1 DC C 132 5.760 27.891 11.803 1.00 0.00 N ATOM 1000 C2 DC C 132 7.028 27.319 11.755 1.00 0.00 C ATOM 1001 O2 DC C 132 7.339 26.448 12.564 1.00 0.00 O ATOM 1002 N3 DC C 132 7.900 27.755 10.805 1.00 0.00 N ATOM 1003 C4 DC C 132 7.545 28.708 9.933 1.00 0.00 C ATOM 1004 N4 DC C 132 8.406 29.088 8.989 1.00 0.00 N ATOM 1005 C5 DC C 132 6.244 29.298 9.982 1.00 0.00 C ATOM 1006 C6 DC C 132 5.394 28.860 10.928 1.00 0.00 C ATOM 0 H5' DC C 132 1.049 27.344 11.394 1.00 0.00 H new ATOM 0 H5'' DC C 132 0.416 28.213 12.779 1.00 0.00 H new ATOM 0 H4' DC C 132 1.997 26.685 13.597 1.00 0.00 H new ATOM 0 H3' DC C 132 2.597 29.548 13.805 1.00 0.00 H new ATOM 0 H2' DC C 132 4.890 29.462 13.506 1.00 0.00 H new ATOM 0 H2'' DC C 132 4.989 28.283 14.798 1.00 0.00 H new ATOM 0 HO3' DC C 132 3.000 28.909 15.965 1.00 0.00 H new ATOM 0 H1' DC C 132 5.260 26.553 13.318 1.00 0.00 H new ATOM 0 H41 DC C 132 8.143 29.813 8.321 1.00 0.00 H new ATOM 0 H42 DC C 132 9.327 28.654 8.935 1.00 0.00 H new ATOM 0 H5 DC C 132 5.954 30.069 9.284 1.00 0.00 H new ATOM 0 H6 DC C 132 4.404 29.287 10.992 1.00 0.00 H new TER 1019 DC C 132 ATOM 1020 N LYS A 1 -9.572 14.210 13.515 1.00 0.00 N ATOM 1021 CA LYS A 1 -8.405 14.082 12.593 1.00 0.00 C ATOM 1022 C LYS A 1 -7.838 12.661 12.670 1.00 0.00 C ATOM 1023 O LYS A 1 -8.542 11.723 12.978 1.00 0.00 O ATOM 1024 CB LYS A 1 -7.320 15.092 12.983 1.00 0.00 C ATOM 1025 CG LYS A 1 -7.864 16.525 12.896 1.00 0.00 C ATOM 1026 CD LYS A 1 -8.110 16.913 11.429 1.00 0.00 C ATOM 1027 CE LYS A 1 -8.165 18.439 11.300 1.00 0.00 C ATOM 1028 NZ LYS A 1 -9.259 18.975 12.157 1.00 0.00 N ATOM 0 H1 LYS A 1 -10.341 14.719 13.034 1.00 0.00 H new ATOM 0 H2 LYS A 1 -9.903 13.263 13.790 1.00 0.00 H new ATOM 0 H3 LYS A 1 -9.287 14.737 14.365 1.00 0.00 H new ATOM 0 HA LYS A 1 -8.733 14.284 11.573 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -6.973 14.889 13.996 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.459 14.983 12.324 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.793 16.604 13.461 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.156 17.219 13.349 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.315 16.514 10.799 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.045 16.475 11.079 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.211 18.874 11.597 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.333 18.720 10.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -9.453 19.963 11.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.118 18.405 12.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.971 18.932 13.155 1.00 0.00 H new ATOM 1044 N ARG A 2 -6.566 12.506 12.400 1.00 0.00 N ATOM 1045 CA ARG A 2 -5.936 11.150 12.444 1.00 0.00 C ATOM 1046 C ARG A 2 -6.395 10.393 13.687 1.00 0.00 C ATOM 1047 O ARG A 2 -6.399 9.177 13.724 1.00 0.00 O ATOM 1048 CB ARG A 2 -4.421 11.296 12.474 1.00 0.00 C ATOM 1049 CG ARG A 2 -3.788 9.900 12.519 1.00 0.00 C ATOM 1050 CD ARG A 2 -2.340 9.979 12.060 1.00 0.00 C ATOM 1051 NE ARG A 2 -1.546 10.781 13.037 1.00 0.00 N ATOM 1052 CZ ARG A 2 -0.241 10.778 12.983 1.00 0.00 C ATOM 1053 NH1 ARG A 2 0.375 10.041 12.099 1.00 0.00 N ATOM 1054 NH2 ARG A 2 0.449 11.505 13.820 1.00 0.00 N ATOM 0 H ARG A 2 -5.933 13.265 12.149 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.237 10.592 11.557 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.077 11.838 11.593 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.115 11.877 13.344 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.837 9.500 13.532 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.346 9.216 11.879 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -1.921 8.977 11.972 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.286 10.435 11.071 1.00 0.00 H new ATOM 0 HE ARG A 2 -2.024 11.333 13.749 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.163 9.467 11.450 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.394 10.039 12.058 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -0.031 12.075 14.516 1.00 0.00 H new ATOM 0 HH22 ARG A 2 1.468 11.503 13.778 1.00 0.00 H new ATOM 1068 N ALA A 3 -6.791 11.100 14.701 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.251 10.415 15.940 1.00 0.00 C ATOM 1070 C ALA A 3 -8.698 9.955 15.759 1.00 0.00 C ATOM 1071 O ALA A 3 -9.625 10.732 15.868 1.00 0.00 O ATOM 1072 CB ALA A 3 -7.156 11.378 17.126 1.00 0.00 C ATOM 0 H ALA A 3 -6.817 12.119 14.729 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.619 9.548 16.133 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.493 10.874 18.032 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.122 11.698 17.253 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.785 12.248 16.939 1.00 0.00 H new ATOM 1078 N GLY A 4 -8.898 8.686 15.493 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.285 8.156 15.311 1.00 0.00 C ATOM 1080 C GLY A 4 -10.674 8.152 13.826 1.00 0.00 C ATOM 1081 O GLY A 4 -11.787 7.813 13.477 1.00 0.00 O ATOM 0 H GLY A 4 -8.157 7.993 15.394 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.348 7.144 15.711 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.990 8.767 15.875 1.00 0.00 H new ATOM 1085 N THR A 5 -9.785 8.538 12.945 1.00 0.00 N ATOM 1086 CA THR A 5 -10.156 8.559 11.495 1.00 0.00 C ATOM 1087 C THR A 5 -10.472 7.150 10.994 1.00 0.00 C ATOM 1088 O THR A 5 -9.630 6.274 10.998 1.00 0.00 O ATOM 1089 CB THR A 5 -9.010 9.105 10.646 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.520 10.305 11.210 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.518 9.383 9.225 1.00 0.00 C ATOM 0 H THR A 5 -8.833 8.835 13.161 1.00 0.00 H new ATOM 0 HA THR A 5 -11.033 9.200 11.401 1.00 0.00 H new ATOM 0 HB THR A 5 -8.206 8.369 10.614 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.143 10.622 11.897 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.702 9.773 8.617 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.890 8.458 8.784 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.324 10.116 9.264 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.669 6.954 10.514 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.073 5.635 9.938 1.00 0.00 C ATOM 1101 C VAL A 6 -12.481 5.907 8.494 1.00 0.00 C ATOM 1102 O VAL A 6 -13.075 6.927 8.204 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.262 5.047 10.706 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.819 4.641 12.112 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.377 6.090 10.798 1.00 0.00 C ATOM 0 H VAL A 6 -12.400 7.665 10.495 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.254 4.918 10.002 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.632 4.167 10.180 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.667 4.224 12.654 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.029 3.893 12.043 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.444 5.516 12.642 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.222 5.672 11.344 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.008 6.972 11.321 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.696 6.371 9.794 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.172 5.042 7.577 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.557 5.313 6.166 1.00 0.00 C ATOM 1117 C CYS A 7 -14.071 5.339 6.028 1.00 0.00 C ATOM 1118 O CYS A 7 -14.751 4.361 6.254 1.00 0.00 O ATOM 1119 CB CYS A 7 -11.988 4.225 5.274 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.441 4.564 3.555 1.00 0.00 S ATOM 0 H CYS A 7 -11.674 4.166 7.738 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.159 6.283 5.869 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -10.903 4.186 5.375 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.372 3.251 5.578 1.00 0.00 H new ATOM 1125 N SER A 8 -14.602 6.460 5.653 1.00 0.00 N ATOM 1126 CA SER A 8 -16.070 6.568 5.491 1.00 0.00 C ATOM 1127 C SER A 8 -16.566 5.575 4.444 1.00 0.00 C ATOM 1128 O SER A 8 -17.624 4.994 4.586 1.00 0.00 O ATOM 1129 CB SER A 8 -16.420 7.974 5.021 1.00 0.00 C ATOM 1130 OG SER A 8 -16.050 8.914 6.020 1.00 0.00 O ATOM 0 H SER A 8 -14.079 7.312 5.450 1.00 0.00 H new ATOM 0 HA SER A 8 -16.542 6.352 6.449 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.902 8.196 4.088 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.488 8.045 4.817 1.00 0.00 H new ATOM 0 HG SER A 8 -15.079 9.045 6.002 1.00 0.00 H new ATOM 1136 N ASN A 9 -15.841 5.401 3.365 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.335 4.476 2.310 1.00 0.00 C ATOM 1138 C ASN A 9 -16.164 3.005 2.703 1.00 0.00 C ATOM 1139 O ASN A 9 -17.025 2.204 2.394 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.582 4.755 1.002 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.108 6.048 0.370 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.187 6.503 0.696 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.393 6.655 -0.538 1.00 0.00 N ATOM 0 H ASN A 9 -14.946 5.852 3.175 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.402 4.655 2.180 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.513 4.843 1.198 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -15.712 3.922 0.311 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.740 7.510 -0.973 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.487 6.274 -0.813 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.077 2.607 3.354 1.00 0.00 N ATOM 1151 CA CYS A 10 -14.925 1.146 3.704 1.00 0.00 C ATOM 1152 C CYS A 10 -14.547 0.937 5.179 1.00 0.00 C ATOM 1153 O CYS A 10 -14.218 -0.161 5.578 1.00 0.00 O ATOM 1154 CB CYS A 10 -13.897 0.472 2.776 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.197 0.876 3.266 1.00 0.00 S ATOM 0 H CYS A 10 -14.312 3.213 3.649 1.00 0.00 H new ATOM 0 HA CYS A 10 -15.897 0.675 3.554 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.037 -0.609 2.800 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.067 0.793 1.748 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.642 1.953 6.000 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.356 1.804 7.467 1.00 0.00 C ATOM 1162 C GLN A 11 -12.937 1.318 7.783 1.00 0.00 C ATOM 1163 O GLN A 11 -12.603 1.155 8.941 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.369 0.842 8.101 1.00 0.00 C ATOM 1165 CG GLN A 11 -16.764 1.474 8.074 1.00 0.00 C ATOM 1166 CD GLN A 11 -16.817 2.661 9.041 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -17.121 3.768 8.644 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -16.534 2.475 10.300 1.00 0.00 N ATOM 0 H GLN A 11 -14.909 2.895 5.715 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.445 2.805 7.890 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.376 -0.103 7.559 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.080 0.618 9.128 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.003 1.806 7.064 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.514 0.733 8.352 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -16.279 1.545 10.633 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -16.568 3.259 10.952 1.00 0.00 H new ATOM 1177 N THR A 12 -12.080 1.097 6.825 1.00 0.00 N ATOM 1178 CA THR A 12 -10.712 0.647 7.215 1.00 0.00 C ATOM 1179 C THR A 12 -10.090 1.743 8.084 1.00 0.00 C ATOM 1180 O THR A 12 -10.311 2.913 7.845 1.00 0.00 O ATOM 1181 CB THR A 12 -9.836 0.393 5.974 1.00 0.00 C ATOM 1182 OG1 THR A 12 -8.585 -0.138 6.391 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.595 1.689 5.198 1.00 0.00 C ATOM 0 H THR A 12 -12.255 1.203 5.826 1.00 0.00 H new ATOM 0 HA THR A 12 -10.776 -0.292 7.765 1.00 0.00 H new ATOM 0 HB THR A 12 -10.353 -0.311 5.322 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.871 0.498 6.176 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.974 1.481 4.327 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.550 2.101 4.873 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.089 2.409 5.841 1.00 0.00 H new ATOM 1191 N SER A 13 -9.299 1.383 9.073 1.00 0.00 N ATOM 1192 CA SER A 13 -8.644 2.431 9.938 1.00 0.00 C ATOM 1193 C SER A 13 -7.155 2.461 9.593 1.00 0.00 C ATOM 1194 O SER A 13 -6.401 3.285 10.071 1.00 0.00 O ATOM 1195 CB SER A 13 -8.872 2.124 11.419 1.00 0.00 C ATOM 1196 OG SER A 13 -10.247 1.820 11.624 1.00 0.00 O ATOM 0 H SER A 13 -9.078 0.418 9.319 1.00 0.00 H new ATOM 0 HA SER A 13 -9.081 3.411 9.749 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.251 1.284 11.729 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.580 2.979 12.030 1.00 0.00 H new ATOM 0 HG SER A 13 -10.400 1.620 12.571 1.00 0.00 H new ATOM 1202 N THR A 14 -6.751 1.577 8.717 1.00 0.00 N ATOM 1203 CA THR A 14 -5.332 1.530 8.252 1.00 0.00 C ATOM 1204 C THR A 14 -5.313 2.081 6.828 1.00 0.00 C ATOM 1205 O THR A 14 -5.988 1.571 5.958 1.00 0.00 O ATOM 1206 CB THR A 14 -4.839 0.080 8.241 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.852 -0.759 7.706 1.00 0.00 O ATOM 1208 CG2 THR A 14 -4.508 -0.363 9.668 1.00 0.00 C ATOM 0 H THR A 14 -7.357 0.872 8.297 1.00 0.00 H new ATOM 0 HA THR A 14 -4.687 2.111 8.911 1.00 0.00 H new ATOM 0 HB THR A 14 -3.943 0.007 7.625 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.552 -1.692 7.732 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.158 -1.395 9.657 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.729 0.280 10.077 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.401 -0.290 10.288 1.00 0.00 H new ATOM 1216 N THR A 15 -4.566 3.126 6.578 1.00 0.00 N ATOM 1217 CA THR A 15 -4.540 3.713 5.201 1.00 0.00 C ATOM 1218 C THR A 15 -3.143 4.231 4.878 1.00 0.00 C ATOM 1219 O THR A 15 -2.430 4.689 5.746 1.00 0.00 O ATOM 1220 CB THR A 15 -5.506 4.897 5.161 1.00 0.00 C ATOM 1221 OG1 THR A 15 -4.878 6.027 5.753 1.00 0.00 O ATOM 1222 CG2 THR A 15 -6.764 4.562 5.949 1.00 0.00 C ATOM 0 H THR A 15 -3.975 3.597 7.263 1.00 0.00 H new ATOM 0 HA THR A 15 -4.823 2.948 4.478 1.00 0.00 H new ATOM 0 HB THR A 15 -5.772 5.112 4.126 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.522 6.499 6.322 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.449 5.409 5.918 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.246 3.688 5.510 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.499 4.348 6.984 1.00 0.00 H new ATOM 1230 N THR A 16 -2.748 4.196 3.634 1.00 0.00 N ATOM 1231 CA THR A 16 -1.404 4.728 3.295 1.00 0.00 C ATOM 1232 C THR A 16 -1.482 6.254 3.361 1.00 0.00 C ATOM 1233 O THR A 16 -0.613 6.907 3.906 1.00 0.00 O ATOM 1234 CB THR A 16 -0.980 4.280 1.890 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.776 4.945 0.919 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.143 2.760 1.733 1.00 0.00 C ATOM 0 H THR A 16 -3.290 3.828 2.852 1.00 0.00 H new ATOM 0 HA THR A 16 -0.662 4.349 3.998 1.00 0.00 H new ATOM 0 HB THR A 16 0.070 4.535 1.745 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.005 4.320 0.200 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.837 2.463 0.730 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.521 2.249 2.468 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.187 2.488 1.889 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.542 6.829 2.847 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.705 8.317 2.922 1.00 0.00 C ATOM 1246 C LEU A 17 -4.186 8.638 3.133 1.00 0.00 C ATOM 1247 O LEU A 17 -5.041 8.138 2.430 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.197 8.995 1.630 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.739 10.438 1.916 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.553 10.453 2.915 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.333 11.112 0.583 1.00 0.00 C ATOM 0 H LEU A 17 -3.301 6.334 2.379 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.115 8.700 3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.369 8.421 1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.989 9.001 0.881 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.561 10.992 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.247 11.483 3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.861 9.991 3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.284 9.896 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.007 12.134 0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.517 10.552 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.188 11.125 -0.093 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.506 9.473 4.085 1.00 0.00 N ATOM 1264 CA TRP A 18 -5.932 9.820 4.315 1.00 0.00 C ATOM 1265 C TRP A 18 -6.374 10.822 3.247 1.00 0.00 C ATOM 1266 O TRP A 18 -5.745 11.840 3.039 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.070 10.465 5.702 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.069 9.401 6.759 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.101 9.225 7.689 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.065 8.365 7.006 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.437 8.142 8.482 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.636 7.582 8.104 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.284 8.030 6.392 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.388 6.507 8.577 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.044 6.947 6.867 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.596 6.188 7.955 1.00 0.00 C ATOM 0 H TRP A 18 -3.841 9.927 4.711 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.551 8.924 4.262 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.249 11.161 5.873 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.993 11.042 5.755 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.213 9.830 7.795 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.865 7.800 9.254 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.639 8.607 5.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.038 5.926 9.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -9.980 6.699 6.389 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.185 5.356 8.313 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.453 10.534 2.568 1.00 0.00 N ATOM 1288 CA ARG A 19 -7.964 11.448 1.502 1.00 0.00 C ATOM 1289 C ARG A 19 -9.330 12.009 1.906 1.00 0.00 C ATOM 1290 O ARG A 19 -10.265 11.269 2.096 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.127 10.633 0.200 1.00 0.00 C ATOM 1292 CG ARG A 19 -6.774 10.514 -0.540 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.483 11.810 -1.321 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.540 11.550 -2.469 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.382 10.948 -2.315 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.928 10.644 -1.134 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.646 10.696 -3.363 1.00 0.00 N ATOM 0 H ARG A 19 -8.011 9.692 2.709 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.265 12.272 1.359 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.509 9.639 0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.861 11.114 -0.447 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.974 10.324 0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.798 9.665 -1.224 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.416 12.228 -1.700 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.050 12.553 -0.651 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.812 11.854 -3.404 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.474 10.873 -0.303 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.026 10.177 -1.039 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.971 10.966 -4.291 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.746 10.229 -3.254 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.482 13.296 2.016 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.829 13.820 2.367 1.00 0.00 C ATOM 1313 C ARG A 20 -11.707 13.619 1.128 1.00 0.00 C ATOM 1314 O ARG A 20 -11.242 13.747 0.011 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.743 15.309 2.724 1.00 0.00 C ATOM 1316 CG ARG A 20 -12.049 15.771 3.404 1.00 0.00 C ATOM 1317 CD ARG A 20 -11.982 15.493 4.914 1.00 0.00 C ATOM 1318 NE ARG A 20 -13.268 15.906 5.574 1.00 0.00 N ATOM 1319 CZ ARG A 20 -13.707 17.136 5.528 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -12.976 18.085 5.016 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -14.871 17.428 6.043 1.00 0.00 N ATOM 0 H ARG A 20 -8.751 13.995 1.882 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.243 13.301 3.232 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.897 15.483 3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.566 15.897 1.823 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.203 16.836 3.228 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.900 15.249 2.967 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.799 14.433 5.088 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.147 16.037 5.355 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.815 15.204 6.073 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.050 17.872 4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.330 19.041 4.986 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.434 16.697 6.479 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.218 18.387 6.009 1.00 0.00 H new ATOM 1335 N SER A 21 -12.959 13.287 1.298 1.00 0.00 N ATOM 1336 CA SER A 21 -13.836 13.060 0.101 1.00 0.00 C ATOM 1337 C SER A 21 -14.490 14.387 -0.322 1.00 0.00 C ATOM 1338 O SER A 21 -14.682 15.263 0.492 1.00 0.00 O ATOM 1339 CB SER A 21 -14.905 12.023 0.456 1.00 0.00 C ATOM 1340 OG SER A 21 -14.316 10.728 0.466 1.00 0.00 O ATOM 0 H SER A 21 -13.414 13.163 2.203 1.00 0.00 H new ATOM 0 HA SER A 21 -13.240 12.688 -0.733 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.336 12.247 1.432 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.719 12.060 -0.268 1.00 0.00 H new ATOM 0 HG SER A 21 -14.936 10.083 0.066 1.00 0.00 H new ATOM 1346 N PRO A 22 -14.823 14.549 -1.590 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.460 15.812 -2.065 1.00 0.00 C ATOM 1348 C PRO A 22 -16.651 16.242 -1.191 1.00 0.00 C ATOM 1349 O PRO A 22 -17.027 17.396 -1.165 1.00 0.00 O ATOM 1350 CB PRO A 22 -15.928 15.433 -3.490 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.448 14.000 -3.804 1.00 0.00 C ATOM 1352 CD PRO A 22 -14.585 13.508 -2.633 1.00 0.00 C ATOM 0 HA PRO A 22 -14.779 16.663 -2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.014 15.491 -3.559 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.524 16.135 -4.220 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.302 13.338 -3.950 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.873 13.987 -4.730 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -14.889 12.518 -2.294 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.532 13.442 -2.906 1.00 0.00 H new ATOM 1360 N MET A 23 -17.248 15.316 -0.486 1.00 0.00 N ATOM 1361 CA MET A 23 -18.421 15.658 0.376 1.00 0.00 C ATOM 1362 C MET A 23 -17.944 15.984 1.795 1.00 0.00 C ATOM 1363 O MET A 23 -18.676 16.528 2.597 1.00 0.00 O ATOM 1364 CB MET A 23 -19.371 14.458 0.417 1.00 0.00 C ATOM 1365 CG MET A 23 -18.681 13.280 1.109 1.00 0.00 C ATOM 1366 SD MET A 23 -19.715 11.800 0.970 1.00 0.00 S ATOM 1367 CE MET A 23 -21.154 12.434 1.869 1.00 0.00 C ATOM 0 H MET A 23 -16.973 14.334 -0.470 1.00 0.00 H new ATOM 0 HA MET A 23 -18.937 16.527 -0.033 1.00 0.00 H new ATOM 0 HB2 MET A 23 -20.284 14.722 0.951 1.00 0.00 H new ATOM 0 HB3 MET A 23 -19.663 14.178 -0.595 1.00 0.00 H new ATOM 0 HG2 MET A 23 -17.707 13.099 0.655 1.00 0.00 H new ATOM 0 HG3 MET A 23 -18.505 13.515 2.159 1.00 0.00 H new ATOM 0 HE1 MET A 23 -21.687 11.605 2.334 1.00 0.00 H new ATOM 0 HE2 MET A 23 -20.824 13.130 2.640 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.818 12.949 1.175 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.723 15.647 2.110 1.00 0.00 N ATOM 1378 CA GLY A 24 -16.182 15.921 3.476 1.00 0.00 C ATOM 1379 C GLY A 24 -16.234 14.644 4.317 1.00 0.00 C ATOM 1380 O GLY A 24 -16.243 14.693 5.531 1.00 0.00 O ATOM 0 H GLY A 24 -16.070 15.189 1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.155 16.280 3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.763 16.708 3.957 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.260 13.495 3.687 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.299 12.207 4.441 1.00 0.00 C ATOM 1386 C ASP A 25 -14.890 11.568 4.411 1.00 0.00 C ATOM 1387 O ASP A 25 -14.406 11.239 3.349 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.272 11.257 3.736 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.710 11.726 3.958 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.883 12.819 4.471 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.614 10.988 3.604 1.00 0.00 O ATOM 0 H ASP A 25 -16.256 13.396 2.672 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.614 12.385 5.469 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.052 11.223 2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.147 10.244 4.119 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.218 11.383 5.534 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.855 10.766 5.503 1.00 0.00 C ATOM 1398 C PRO A 26 -12.831 9.419 4.745 1.00 0.00 C ATOM 1399 O PRO A 26 -13.678 8.574 4.949 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.542 10.582 7.005 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.581 11.379 7.818 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.740 11.758 6.883 1.00 0.00 C ATOM 0 HA PRO A 26 -12.124 11.376 4.973 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.579 9.526 7.274 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.535 10.933 7.229 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.947 10.783 8.654 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.126 12.275 8.241 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.652 11.214 7.129 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.977 12.820 6.943 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.849 9.207 3.891 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.758 7.894 3.148 1.00 0.00 C ATOM 1412 C VAL A 27 -10.299 7.434 3.061 1.00 0.00 C ATOM 1413 O VAL A 27 -9.384 8.226 3.181 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.337 8.004 1.726 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -13.865 8.039 1.792 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.813 9.267 1.033 1.00 0.00 C ATOM 0 H VAL A 27 -11.112 9.878 3.676 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.346 7.165 3.705 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.022 7.135 1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.271 8.117 0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.230 7.125 2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.184 8.900 2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.231 9.331 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.109 10.146 1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.726 9.224 0.971 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.067 6.158 2.826 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.666 5.666 2.702 1.00 0.00 C ATOM 1428 C CYS A 28 -8.185 5.942 1.269 1.00 0.00 C ATOM 1429 O CYS A 28 -8.977 6.069 0.357 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.576 4.166 3.080 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.370 3.085 1.849 1.00 0.00 S ATOM 0 H CYS A 28 -10.789 5.446 2.716 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.012 6.192 3.397 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.528 3.884 3.184 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.046 4.011 4.051 1.00 0.00 H new ATOM 1436 N ASN A 29 -6.902 6.102 1.073 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.383 6.448 -0.289 1.00 0.00 C ATOM 1438 C ASN A 29 -6.940 5.517 -1.373 1.00 0.00 C ATOM 1439 O ASN A 29 -7.124 5.928 -2.502 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.853 6.362 -0.287 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.320 6.728 -1.673 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.019 7.971 -1.936 1.00 0.00 O flip ATOM 1443 ND2 ASN A 29 -4.168 5.873 -2.522 1.00 0.00 N flip ATOM 0 H ASN A 29 -6.189 6.008 1.796 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.710 7.462 -0.520 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.441 7.037 0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.535 5.355 -0.018 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.403 4.902 -2.316 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.805 6.126 -3.441 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.208 4.282 -1.073 1.00 0.00 N ATOM 1451 CA ALA A 30 -7.746 3.383 -2.136 1.00 0.00 C ATOM 1452 C ALA A 30 -9.187 3.788 -2.500 1.00 0.00 C ATOM 1453 O ALA A 30 -9.514 3.971 -3.655 1.00 0.00 O ATOM 1454 CB ALA A 30 -7.720 1.943 -1.647 1.00 0.00 C ATOM 0 H ALA A 30 -7.082 3.856 -0.155 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.123 3.474 -3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.113 1.288 -2.424 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.694 1.656 -1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.334 1.852 -0.751 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.055 3.916 -1.524 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.480 4.294 -1.818 1.00 0.00 C ATOM 1462 C CYS A 31 -11.538 5.615 -2.579 1.00 0.00 C ATOM 1463 O CYS A 31 -12.300 5.777 -3.503 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.256 4.499 -0.510 1.00 0.00 C ATOM 1465 SG CYS A 31 -12.696 2.916 0.221 1.00 0.00 S ATOM 0 H CYS A 31 -9.841 3.776 -0.537 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.915 3.488 -2.409 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.651 5.074 0.191 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.158 5.079 -0.703 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.768 6.571 -2.164 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.815 7.898 -2.832 1.00 0.00 C ATOM 1472 C GLY A 32 -10.555 7.755 -4.330 1.00 0.00 C ATOM 1473 O GLY A 32 -11.305 8.249 -5.146 1.00 0.00 O ATOM 0 H GLY A 32 -10.107 6.495 -1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.789 8.359 -2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.071 8.560 -2.390 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.497 7.093 -4.700 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.195 6.935 -6.151 1.00 0.00 C ATOM 1479 C LEU A 33 -10.289 6.109 -6.822 1.00 0.00 C ATOM 1480 O LEU A 33 -10.797 6.462 -7.863 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.867 6.202 -6.307 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.747 7.008 -5.636 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.453 6.179 -5.649 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.534 8.342 -6.382 1.00 0.00 C ATOM 0 H LEU A 33 -8.830 6.655 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.143 7.920 -6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.933 5.211 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.642 6.059 -7.364 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.024 7.230 -4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.653 6.746 -5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.612 5.248 -5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.176 5.954 -6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.737 8.906 -5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.258 8.140 -7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.456 8.923 -6.359 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.659 5.010 -6.238 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.714 4.169 -6.860 1.00 0.00 C ATOM 1498 C TYR A 34 -12.999 4.974 -6.985 1.00 0.00 C ATOM 1499 O TYR A 34 -13.699 4.905 -7.976 1.00 0.00 O ATOM 1500 CB TYR A 34 -11.974 2.958 -5.968 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.055 2.106 -6.577 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.396 2.437 -6.369 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.719 0.988 -7.346 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.404 1.648 -6.929 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.727 0.199 -7.908 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.070 0.529 -7.700 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.064 -0.249 -8.254 1.00 0.00 O ATOM 0 H TYR A 34 -10.279 4.657 -5.360 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.387 3.845 -7.848 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.060 2.376 -5.852 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.272 3.285 -4.972 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.653 3.302 -5.776 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.682 0.734 -7.506 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.441 1.902 -6.767 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.469 -0.665 -8.502 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.660 -0.985 -8.760 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.319 5.723 -5.977 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.565 6.524 -6.008 1.00 0.00 C ATOM 1519 C TYR A 35 -14.450 7.653 -7.038 1.00 0.00 C ATOM 1520 O TYR A 35 -15.326 7.870 -7.828 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.802 7.116 -4.616 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.253 7.498 -4.483 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -17.187 6.566 -4.014 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -16.659 8.781 -4.839 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.533 6.926 -3.898 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.004 9.147 -4.726 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.945 8.218 -4.254 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.273 8.576 -4.140 1.00 0.00 O ATOM 0 H TYR A 35 -12.766 5.816 -5.125 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.401 5.884 -6.291 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.532 6.391 -3.848 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.168 7.990 -4.466 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.868 5.571 -3.742 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -15.935 9.495 -5.203 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -19.255 6.209 -3.534 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -18.318 10.143 -5.001 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.387 9.506 -4.427 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.389 8.390 -7.031 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.268 9.505 -8.018 1.00 0.00 C ATOM 1540 C LYS A 36 -13.324 8.965 -9.451 1.00 0.00 C ATOM 1541 O LYS A 36 -13.928 9.556 -10.323 1.00 0.00 O ATOM 1542 CB LYS A 36 -11.925 10.203 -7.802 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.762 11.352 -8.797 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.461 12.102 -8.498 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.248 11.240 -8.876 1.00 0.00 C ATOM 1546 NZ LYS A 36 -8.052 12.115 -9.038 1.00 0.00 N ATOM 0 H LYS A 36 -12.600 8.279 -6.394 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.094 10.202 -7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.864 10.584 -6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.111 9.488 -7.924 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.746 10.966 -9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.611 12.032 -8.727 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.437 13.039 -9.055 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.417 12.359 -7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.064 10.493 -8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.446 10.700 -9.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.229 11.534 -9.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.231 12.812 -9.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.861 12.611 -8.144 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.681 7.869 -9.708 1.00 0.00 N ATOM 1561 CA LEU A 37 -12.674 7.312 -11.089 1.00 0.00 C ATOM 1562 C LEU A 37 -14.060 6.769 -11.467 1.00 0.00 C ATOM 1563 O LEU A 37 -14.475 6.898 -12.603 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.613 6.196 -11.163 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.245 6.774 -11.572 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -9.815 7.898 -10.616 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.201 5.657 -11.529 1.00 0.00 C ATOM 0 H LEU A 37 -12.156 7.329 -9.020 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.428 8.101 -11.800 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.530 5.701 -10.195 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.924 5.439 -11.883 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.327 7.185 -12.578 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.846 8.289 -10.927 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.554 8.699 -10.640 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.739 7.504 -9.602 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.229 6.056 -11.817 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.142 5.253 -10.518 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.487 4.865 -12.221 1.00 0.00 H new ATOM 1579 N HIS A 38 -14.767 6.139 -10.554 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.113 5.564 -10.906 1.00 0.00 C ATOM 1581 C HIS A 38 -17.242 6.179 -10.065 1.00 0.00 C ATOM 1582 O HIS A 38 -18.400 5.975 -10.358 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.064 4.054 -10.684 1.00 0.00 C ATOM 1584 CG HIS A 38 -14.996 3.475 -11.570 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.272 2.965 -12.828 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.641 3.347 -11.401 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.105 2.559 -13.364 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.080 2.769 -12.535 1.00 0.00 N ATOM 0 H HIS A 38 -14.475 5.998 -9.587 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.328 5.797 -11.949 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.850 3.832 -9.639 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.031 3.606 -10.914 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.093 3.649 -10.521 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.010 2.117 -14.345 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.097 2.552 -12.698 1.00 0.00 H new ATOM 1596 N GLN A 39 -16.943 6.952 -9.056 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.014 7.596 -8.230 1.00 0.00 C ATOM 1598 C GLN A 39 -19.148 6.607 -7.926 1.00 0.00 C ATOM 1599 O GLN A 39 -20.315 6.879 -8.103 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.486 8.874 -8.943 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.585 9.595 -8.140 1.00 0.00 C ATOM 1602 CD GLN A 39 -19.718 11.035 -8.643 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -18.788 11.584 -9.200 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -20.846 11.671 -8.478 1.00 0.00 N ATOM 0 H GLN A 39 -15.991 7.169 -8.763 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.620 7.886 -7.256 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.639 9.545 -9.087 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -18.864 8.621 -9.933 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -20.534 9.071 -8.249 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -19.338 9.590 -7.078 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.627 11.211 -8.011 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -20.946 12.628 -8.817 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.789 5.455 -7.428 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.791 4.428 -7.048 1.00 0.00 C ATOM 1615 C VAL A 40 -19.246 3.667 -5.842 1.00 0.00 C ATOM 1616 O VAL A 40 -18.050 3.554 -5.657 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.040 3.447 -8.194 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -20.888 4.120 -9.274 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.708 2.971 -8.787 1.00 0.00 C ATOM 0 H VAL A 40 -17.820 5.180 -7.266 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.737 4.916 -6.813 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.576 2.580 -7.808 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.063 3.418 -10.089 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.843 4.427 -8.848 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.363 4.995 -9.656 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -18.901 2.273 -9.602 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.152 3.828 -9.167 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.123 2.473 -8.014 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.104 3.146 -5.022 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.626 2.390 -3.828 1.00 0.00 C ATOM 1631 C ASN A 41 -19.364 0.934 -4.235 1.00 0.00 C ATOM 1632 O ASN A 41 -20.183 0.320 -4.890 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.698 2.439 -2.734 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.938 1.666 -3.191 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.284 1.684 -4.356 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.624 0.981 -2.316 1.00 0.00 N ATOM 0 H ASN A 41 -21.117 3.207 -5.121 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.706 2.834 -3.447 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.309 2.009 -1.811 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.962 3.474 -2.517 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.451 0.461 -2.610 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.333 0.966 -1.338 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.229 0.377 -3.860 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.911 -1.047 -4.237 1.00 0.00 C ATOM 1645 C ARG A 42 -17.723 -1.891 -2.953 1.00 0.00 C ATOM 1646 O ARG A 42 -17.308 -1.375 -1.936 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.626 -1.064 -5.097 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.367 -0.746 -4.266 1.00 0.00 C ATOM 1649 CD ARG A 42 -15.444 0.674 -3.688 1.00 0.00 C ATOM 1650 NE ARG A 42 -16.106 0.625 -2.358 1.00 0.00 N ATOM 1651 CZ ARG A 42 -16.040 1.650 -1.564 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -15.342 2.695 -1.915 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -16.663 1.625 -0.417 1.00 0.00 N ATOM 0 H ARG A 42 -17.510 0.846 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.730 -1.476 -4.815 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.515 -2.043 -5.562 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.721 -0.337 -5.904 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.267 -1.469 -3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.479 -0.842 -4.890 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.443 1.096 -3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -16.002 1.324 -4.362 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.611 -0.213 -2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.852 2.704 -2.809 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.287 3.503 -1.295 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.200 0.801 -0.146 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.613 2.429 0.208 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.027 -3.178 -2.976 1.00 0.00 N ATOM 1668 CA PRO A 43 -17.863 -4.022 -1.754 1.00 0.00 C ATOM 1669 C PRO A 43 -16.465 -3.913 -1.110 1.00 0.00 C ATOM 1670 O PRO A 43 -15.472 -3.678 -1.771 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.134 -5.449 -2.281 1.00 0.00 C ATOM 1672 CG PRO A 43 -18.568 -5.355 -3.758 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.559 -3.876 -4.185 1.00 0.00 C ATOM 0 HA PRO A 43 -18.534 -3.711 -0.953 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -17.238 -6.063 -2.189 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -18.912 -5.930 -1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -17.892 -5.934 -4.387 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -19.564 -5.779 -3.886 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.926 -3.712 -5.057 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.558 -3.526 -4.446 1.00 0.00 H new ATOM 1681 N LEU A 44 -16.406 -4.091 0.184 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.110 -4.012 0.926 1.00 0.00 C ATOM 1683 C LEU A 44 -14.193 -5.165 0.531 1.00 0.00 C ATOM 1684 O LEU A 44 -13.005 -5.120 0.753 1.00 0.00 O ATOM 1685 CB LEU A 44 -15.388 -4.097 2.430 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.130 -2.827 2.901 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.648 -2.985 2.730 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -15.819 -2.561 4.379 1.00 0.00 C ATOM 0 H LEU A 44 -17.217 -4.292 0.770 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.622 -3.069 0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -15.988 -4.981 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.451 -4.205 2.976 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.790 -1.990 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.149 -2.078 3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.880 -3.157 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -17.994 -3.833 3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.345 -1.664 4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -16.145 -3.411 4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -14.746 -2.418 4.505 1.00 0.00 H new ATOM 1700 N THR A 45 -14.732 -6.206 -0.032 1.00 0.00 N ATOM 1701 CA THR A 45 -13.881 -7.367 -0.425 1.00 0.00 C ATOM 1702 C THR A 45 -12.588 -6.878 -1.095 1.00 0.00 C ATOM 1703 O THR A 45 -11.628 -7.613 -1.214 1.00 0.00 O ATOM 1704 CB THR A 45 -14.670 -8.269 -1.384 1.00 0.00 C ATOM 1705 OG1 THR A 45 -14.126 -9.580 -1.354 1.00 0.00 O ATOM 1706 CG2 THR A 45 -14.615 -7.721 -2.815 1.00 0.00 C ATOM 0 H THR A 45 -15.726 -6.307 -0.239 1.00 0.00 H new ATOM 0 HA THR A 45 -13.610 -7.935 0.465 1.00 0.00 H new ATOM 0 HB THR A 45 -15.711 -8.293 -1.063 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.630 -10.157 -1.965 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.181 -8.376 -3.477 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.047 -6.721 -2.838 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.578 -7.676 -3.148 1.00 0.00 H new ATOM 1714 N MET A 46 -12.551 -5.642 -1.531 1.00 0.00 N ATOM 1715 CA MET A 46 -11.308 -5.131 -2.187 1.00 0.00 C ATOM 1716 C MET A 46 -10.259 -4.778 -1.129 1.00 0.00 C ATOM 1717 O MET A 46 -9.100 -5.120 -1.249 1.00 0.00 O ATOM 1718 CB MET A 46 -11.633 -3.878 -3.016 1.00 0.00 C ATOM 1719 CG MET A 46 -12.257 -4.279 -4.358 1.00 0.00 C ATOM 1720 SD MET A 46 -11.016 -5.109 -5.392 1.00 0.00 S ATOM 1721 CE MET A 46 -10.094 -3.643 -5.935 1.00 0.00 C ATOM 0 H MET A 46 -13.318 -4.973 -1.462 1.00 0.00 H new ATOM 0 HA MET A 46 -10.913 -5.909 -2.840 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.320 -3.236 -2.464 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.725 -3.300 -3.187 1.00 0.00 H new ATOM 0 HG2 MET A 46 -13.106 -4.942 -4.191 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.638 -3.396 -4.870 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.486 -3.896 -6.804 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.794 -2.851 -6.200 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.447 -3.300 -5.127 1.00 0.00 H new ATOM 1731 N ARG A 47 -10.655 -4.078 -0.105 1.00 0.00 N ATOM 1732 CA ARG A 47 -9.681 -3.675 0.955 1.00 0.00 C ATOM 1733 C ARG A 47 -9.441 -4.816 1.945 1.00 0.00 C ATOM 1734 O ARG A 47 -10.132 -5.814 1.943 1.00 0.00 O ATOM 1735 CB ARG A 47 -10.184 -2.430 1.695 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.629 -2.624 2.182 1.00 0.00 C ATOM 1737 CD ARG A 47 -11.695 -3.568 3.403 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.111 -4.931 2.967 1.00 0.00 N ATOM 1739 CZ ARG A 47 -11.980 -5.943 3.784 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -11.521 -5.751 4.991 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -12.313 -7.144 3.397 1.00 0.00 N ATOM 0 H ARG A 47 -11.614 -3.765 0.048 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.733 -3.441 0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.535 -2.221 2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.132 -1.564 1.034 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.058 -1.657 2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.235 -3.032 1.373 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.722 -3.614 3.891 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.402 -3.180 4.136 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.497 -5.074 2.034 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.265 -4.812 5.296 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.418 -6.540 5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.676 -7.294 2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.210 -7.933 4.036 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.451 -4.666 2.789 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.132 -5.719 3.799 1.00 0.00 C ATOM 1757 C LYS A 48 -7.820 -5.043 5.137 1.00 0.00 C ATOM 1758 O LYS A 48 -7.590 -3.852 5.202 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.924 -6.542 3.344 1.00 0.00 C ATOM 1760 CG LYS A 48 -7.319 -7.407 2.144 1.00 0.00 C ATOM 1761 CD LYS A 48 -6.119 -8.245 1.693 1.00 0.00 C ATOM 1762 CE LYS A 48 -6.522 -9.106 0.494 1.00 0.00 C ATOM 1763 NZ LYS A 48 -6.879 -8.226 -0.654 1.00 0.00 N ATOM 0 H LYS A 48 -7.843 -3.848 2.821 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.987 -6.387 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.101 -5.881 3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.572 -7.173 4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.150 -8.059 2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.661 -6.775 1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.287 -7.594 1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.776 -8.879 2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.702 -9.768 0.217 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.369 -9.740 0.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.955 -8.798 -1.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.790 -7.761 -0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.142 -7.503 -0.780 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.826 -5.790 6.206 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.548 -5.183 7.538 1.00 0.00 C ATOM 1779 C ASP A 49 -6.282 -4.324 7.463 1.00 0.00 C ATOM 1780 O ASP A 49 -6.349 -3.114 7.375 1.00 0.00 O ATOM 1781 CB ASP A 49 -7.356 -6.299 8.568 1.00 0.00 C ATOM 1782 CG ASP A 49 -7.329 -5.703 9.975 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -7.167 -4.500 10.085 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -7.472 -6.462 10.919 1.00 0.00 O ATOM 0 H ASP A 49 -8.011 -6.793 6.215 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.386 -4.552 7.834 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.164 -7.026 8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.426 -6.833 8.371 1.00 0.00 H new ATOM 1789 N GLY A 50 -5.131 -4.936 7.509 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.864 -4.150 7.453 1.00 0.00 C ATOM 1791 C GLY A 50 -3.668 -3.585 6.046 1.00 0.00 C ATOM 1792 O GLY A 50 -4.501 -3.752 5.177 1.00 0.00 O ATOM 0 H GLY A 50 -5.012 -5.946 7.583 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.896 -3.338 8.180 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.019 -4.785 7.721 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.564 -2.922 5.813 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.302 -2.348 4.466 1.00 0.00 C ATOM 1798 C ILE A 51 -1.577 -3.379 3.600 1.00 0.00 C ATOM 1799 O ILE A 51 -0.636 -4.017 4.025 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.429 -1.101 4.617 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.105 -0.145 5.618 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.260 -0.421 3.250 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.555 1.274 5.465 1.00 0.00 C ATOM 0 H ILE A 51 -1.832 -2.755 6.503 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.246 -2.082 3.990 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.441 -1.373 4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.183 -0.142 5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.937 -0.498 6.636 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.638 0.467 3.360 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.785 -1.114 2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.238 -0.133 2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.045 1.933 6.181 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.481 1.270 5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.746 1.631 4.453 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.995 -3.515 2.376 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.316 -4.471 1.461 1.00 0.00 C ATOM 1817 C GLN A 52 -0.023 -3.806 0.976 1.00 0.00 C ATOM 1818 O GLN A 52 0.076 -2.597 0.958 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.229 -4.774 0.265 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.425 -5.610 0.719 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.414 -5.748 -0.442 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.613 -6.828 -0.961 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -5.041 -4.687 -0.878 1.00 0.00 N ATOM 0 H GLN A 52 -2.779 -3.005 1.968 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.095 -5.408 1.973 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.575 -3.843 -0.184 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.671 -5.310 -0.503 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.092 -6.595 1.047 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.911 -5.137 1.572 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.873 -3.780 -0.442 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.698 -4.766 -1.654 1.00 0.00 H new ATOM 1832 N THR A 53 0.983 -4.565 0.615 1.00 0.00 N ATOM 1833 CA THR A 53 2.269 -3.935 0.154 1.00 0.00 C ATOM 1834 C THR A 53 2.827 -4.682 -1.059 1.00 0.00 C ATOM 1835 O THR A 53 2.446 -5.795 -1.358 1.00 0.00 O ATOM 1836 CB THR A 53 3.294 -3.952 1.289 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.596 -3.751 0.754 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.237 -5.292 2.015 1.00 0.00 C ATOM 0 H THR A 53 0.974 -5.585 0.618 1.00 0.00 H new ATOM 0 HA THR A 53 2.067 -2.903 -0.133 1.00 0.00 H new ATOM 0 HB THR A 53 3.065 -3.154 1.995 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.253 -3.760 1.481 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.969 -5.300 2.823 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.239 -5.440 2.428 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.462 -6.096 1.314 1.00 0.00 H new ATOM 1846 N ARG A 54 3.728 -4.048 -1.764 1.00 0.00 N ATOM 1847 CA ARG A 54 4.332 -4.676 -2.980 1.00 0.00 C ATOM 1848 C ARG A 54 5.763 -4.158 -3.150 1.00 0.00 C ATOM 1849 O ARG A 54 6.103 -3.091 -2.680 1.00 0.00 O ATOM 1850 CB ARG A 54 3.479 -4.300 -4.206 1.00 0.00 C ATOM 1851 CG ARG A 54 4.038 -4.923 -5.501 1.00 0.00 C ATOM 1852 CD ARG A 54 3.909 -6.451 -5.457 1.00 0.00 C ATOM 1853 NE ARG A 54 4.092 -7.014 -6.828 1.00 0.00 N ATOM 1854 CZ ARG A 54 4.307 -8.294 -6.977 1.00 0.00 C ATOM 1855 NH1 ARG A 54 4.326 -9.075 -5.934 1.00 0.00 N ATOM 1856 NH2 ARG A 54 4.499 -8.794 -8.169 1.00 0.00 N ATOM 0 H ARG A 54 4.075 -3.113 -1.548 1.00 0.00 H new ATOM 0 HA ARG A 54 4.357 -5.761 -2.878 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.454 -4.637 -4.053 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.447 -3.215 -4.308 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.499 -4.531 -6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.084 -4.643 -5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.654 -6.869 -4.780 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.931 -6.731 -5.066 1.00 0.00 H new ATOM 0 HE ARG A 54 4.049 -6.403 -7.643 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.173 -8.687 -5.003 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.494 -10.075 -6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.481 -8.184 -8.987 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.667 -9.794 -8.282 1.00 0.00 H new ATOM 1870 N ASN A 55 6.604 -4.903 -3.813 1.00 0.00 N ATOM 1871 CA ASN A 55 8.008 -4.445 -4.001 1.00 0.00 C ATOM 1872 C ASN A 55 7.993 -3.056 -4.646 1.00 0.00 C ATOM 1873 O ASN A 55 7.225 -2.789 -5.548 1.00 0.00 O ATOM 1874 CB ASN A 55 8.744 -5.427 -4.917 1.00 0.00 C ATOM 1875 CG ASN A 55 10.241 -5.111 -4.917 1.00 0.00 C ATOM 1876 OD1 ASN A 55 10.704 -4.301 -5.694 1.00 0.00 O ATOM 1877 ND2 ASN A 55 11.025 -5.730 -4.076 1.00 0.00 N ATOM 0 H ASN A 55 6.380 -5.806 -4.231 1.00 0.00 H new ATOM 0 HA ASN A 55 8.517 -4.400 -3.038 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.579 -6.449 -4.577 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.349 -5.360 -5.931 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.026 -5.533 -4.072 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.637 -6.411 -3.423 1.00 0.00 H new ATOM 1884 N ARG A 56 8.828 -2.168 -4.184 1.00 0.00 N ATOM 1885 CA ARG A 56 8.850 -0.791 -4.762 1.00 0.00 C ATOM 1886 C ARG A 56 9.159 -0.845 -6.258 1.00 0.00 C ATOM 1887 O ARG A 56 10.134 -1.431 -6.686 1.00 0.00 O ATOM 1888 CB ARG A 56 9.934 0.041 -4.053 1.00 0.00 C ATOM 1889 CG ARG A 56 9.363 0.671 -2.783 1.00 0.00 C ATOM 1890 CD ARG A 56 10.471 1.406 -2.036 1.00 0.00 C ATOM 1891 NE ARG A 56 11.180 2.317 -2.980 1.00 0.00 N ATOM 1892 CZ ARG A 56 12.018 3.208 -2.527 1.00 0.00 C ATOM 1893 NH1 ARG A 56 12.218 3.323 -1.243 1.00 0.00 N ATOM 1894 NH2 ARG A 56 12.653 3.987 -3.360 1.00 0.00 N ATOM 0 H ARG A 56 9.497 -2.334 -3.432 1.00 0.00 H new ATOM 0 HA ARG A 56 7.871 -0.333 -4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.785 -0.593 -3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.302 0.820 -4.721 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.560 1.363 -3.037 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.929 -0.100 -2.146 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.051 1.977 -1.208 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.172 0.691 -1.606 1.00 0.00 H new ATOM 0 HE ARG A 56 11.009 2.243 -3.983 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.719 2.716 -0.593 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.873 4.020 -0.889 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.494 3.898 -4.364 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.309 4.684 -3.007 1.00 0.00 H new ATOM 1908 N LYS A 57 8.326 -0.232 -7.052 1.00 0.00 N ATOM 1909 CA LYS A 57 8.541 -0.226 -8.522 1.00 0.00 C ATOM 1910 C LYS A 57 9.771 0.600 -8.881 1.00 0.00 C ATOM 1911 O LYS A 57 10.543 0.992 -8.028 1.00 0.00 O ATOM 1912 CB LYS A 57 7.332 0.374 -9.203 1.00 0.00 C ATOM 1913 CG LYS A 57 7.059 1.739 -8.614 1.00 0.00 C ATOM 1914 CD LYS A 57 5.790 2.280 -9.241 1.00 0.00 C ATOM 1915 CE LYS A 57 5.472 3.655 -8.658 1.00 0.00 C ATOM 1916 NZ LYS A 57 4.827 3.483 -7.325 1.00 0.00 N ATOM 0 H LYS A 57 7.496 0.271 -6.739 1.00 0.00 H new ATOM 0 HA LYS A 57 8.692 -1.253 -8.855 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.507 0.456 -10.276 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.465 -0.273 -9.069 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.949 1.671 -7.532 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.895 2.411 -8.808 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.909 2.352 -10.322 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.962 1.596 -9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.385 4.242 -8.561 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.810 4.203 -9.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.577 4.415 -6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.966 2.908 -7.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.487 3.005 -6.679 1.00 0.00 H new ATOM 1930 N VAL A 58 9.953 0.871 -10.144 1.00 0.00 N ATOM 1931 CA VAL A 58 11.126 1.676 -10.572 1.00 0.00 C ATOM 1932 C VAL A 58 11.193 2.939 -9.712 1.00 0.00 C ATOM 1933 O VAL A 58 10.199 3.600 -9.483 1.00 0.00 O ATOM 1934 CB VAL A 58 10.965 2.046 -12.053 1.00 0.00 C ATOM 1935 CG1 VAL A 58 9.601 2.704 -12.284 1.00 0.00 C ATOM 1936 CG2 VAL A 58 12.074 3.017 -12.468 1.00 0.00 C ATOM 0 H VAL A 58 9.337 0.568 -10.898 1.00 0.00 H new ATOM 0 HA VAL A 58 12.048 1.107 -10.448 1.00 0.00 H new ATOM 0 HB VAL A 58 11.033 1.138 -12.652 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.496 2.963 -13.338 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.810 2.010 -12.000 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.526 3.608 -11.679 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.955 3.277 -13.520 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.012 3.921 -11.862 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.045 2.546 -12.318 1.00 0.00 H new ATOM 1946 N SER A 59 12.349 3.277 -9.216 1.00 0.00 N ATOM 1947 CA SER A 59 12.449 4.492 -8.364 1.00 0.00 C ATOM 1948 C SER A 59 12.483 5.725 -9.260 1.00 0.00 C ATOM 1949 O SER A 59 13.443 5.980 -9.961 1.00 0.00 O ATOM 1950 CB SER A 59 13.720 4.427 -7.517 1.00 0.00 C ATOM 1951 OG SER A 59 13.917 5.678 -6.870 1.00 0.00 O ATOM 0 H SER A 59 13.222 2.770 -9.362 1.00 0.00 H new ATOM 0 HA SER A 59 11.587 4.548 -7.699 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.638 3.631 -6.777 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.578 4.190 -8.146 1.00 0.00 H new ATOM 0 HG SER A 59 14.730 5.640 -6.325 1.00 0.00 H new ATOM 1957 N SER A 60 11.422 6.489 -9.240 1.00 0.00 N ATOM 1958 CA SER A 60 11.337 7.716 -10.084 1.00 0.00 C ATOM 1959 C SER A 60 11.412 8.947 -9.182 1.00 0.00 C ATOM 1960 O SER A 60 10.638 9.097 -8.255 1.00 0.00 O ATOM 1961 CB SER A 60 10.000 7.708 -10.826 1.00 0.00 C ATOM 1962 OG SER A 60 9.907 8.867 -11.640 1.00 0.00 O ATOM 0 H SER A 60 10.598 6.311 -8.665 1.00 0.00 H new ATOM 0 HA SER A 60 12.158 7.740 -10.801 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.917 6.811 -11.440 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.176 7.683 -10.113 1.00 0.00 H new ATOM 0 HG SER A 60 9.051 8.863 -12.118 1.00 0.00 H new ATOM 1968 N LYS A 61 12.342 9.830 -9.449 1.00 0.00 N ATOM 1969 CA LYS A 61 12.491 11.068 -8.620 1.00 0.00 C ATOM 1970 C LYS A 61 12.490 12.287 -9.544 1.00 0.00 C ATOM 1971 O LYS A 61 13.016 12.247 -10.639 1.00 0.00 O ATOM 1972 CB LYS A 61 13.820 11.014 -7.862 1.00 0.00 C ATOM 1973 CG LYS A 61 13.845 9.784 -6.948 1.00 0.00 C ATOM 1974 CD LYS A 61 15.168 9.736 -6.172 1.00 0.00 C ATOM 1975 CE LYS A 61 16.360 9.596 -7.132 1.00 0.00 C ATOM 1976 NZ LYS A 61 15.996 8.711 -8.275 1.00 0.00 N ATOM 0 H LYS A 61 13.012 9.746 -10.214 1.00 0.00 H new ATOM 0 HA LYS A 61 11.667 11.138 -7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 61 14.650 10.972 -8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 61 13.950 11.921 -7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.007 9.820 -6.252 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.728 8.877 -7.541 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.279 10.643 -5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.156 8.898 -5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.656 10.578 -7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 61 17.218 9.183 -6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.860 8.309 -8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.384 7.941 -7.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.490 9.265 -8.995 1.00 0.00 H new ATOM 1990 N GLY A 62 11.907 13.371 -9.116 1.00 0.00 N ATOM 1991 CA GLY A 62 11.879 14.585 -9.981 1.00 0.00 C ATOM 1992 C GLY A 62 13.287 15.171 -10.098 1.00 0.00 C ATOM 1993 O GLY A 62 13.496 16.350 -9.894 1.00 0.00 O ATOM 0 H GLY A 62 11.450 13.470 -8.209 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.498 14.329 -10.970 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.200 15.327 -9.560 1.00 0.00 H new ATOM 1997 N LYS A 63 14.256 14.360 -10.432 1.00 0.00 N ATOM 1998 CA LYS A 63 15.647 14.879 -10.565 1.00 0.00 C ATOM 1999 C LYS A 63 15.667 15.964 -11.645 1.00 0.00 C ATOM 2000 O LYS A 63 16.302 16.988 -11.498 1.00 0.00 O ATOM 2001 CB LYS A 63 16.572 13.727 -10.970 1.00 0.00 C ATOM 2002 CG LYS A 63 18.038 14.166 -10.896 1.00 0.00 C ATOM 2003 CD LYS A 63 18.924 12.987 -11.307 1.00 0.00 C ATOM 2004 CE LYS A 63 20.401 13.387 -11.242 1.00 0.00 C ATOM 2005 NZ LYS A 63 21.240 12.153 -11.234 1.00 0.00 N ATOM 0 H LYS A 63 14.144 13.363 -10.618 1.00 0.00 H new ATOM 0 HA LYS A 63 15.987 15.300 -9.619 1.00 0.00 H new ATOM 0 HB2 LYS A 63 16.408 12.873 -10.313 1.00 0.00 H new ATOM 0 HB3 LYS A 63 16.334 13.401 -11.982 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.211 15.017 -11.555 1.00 0.00 H new ATOM 0 HG3 LYS A 63 18.285 14.490 -9.885 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.740 12.138 -10.649 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.670 12.667 -12.318 1.00 0.00 H new ATOM 0 HE2 LYS A 63 20.659 14.012 -12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.592 13.978 -10.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 22.245 12.417 -11.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.997 11.574 -10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.063 11.607 -12.101 1.00 0.00 H new ATOM 2019 N LYS A 64 14.961 15.749 -12.724 1.00 0.00 N ATOM 2020 CA LYS A 64 14.918 16.768 -13.811 1.00 0.00 C ATOM 2021 C LYS A 64 14.124 17.986 -13.331 1.00 0.00 C ATOM 2022 O LYS A 64 14.308 19.089 -13.805 1.00 0.00 O ATOM 2023 CB LYS A 64 14.243 16.167 -15.050 1.00 0.00 C ATOM 2024 CG LYS A 64 12.803 15.766 -14.712 1.00 0.00 C ATOM 2025 CD LYS A 64 12.278 14.776 -15.757 1.00 0.00 C ATOM 2026 CE LYS A 64 12.337 15.410 -17.150 1.00 0.00 C ATOM 2027 NZ LYS A 64 11.502 14.609 -18.090 1.00 0.00 N ATOM 0 H LYS A 64 14.411 14.908 -12.899 1.00 0.00 H new ATOM 0 HA LYS A 64 15.932 17.074 -14.067 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.247 16.891 -15.865 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.802 15.297 -15.394 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.765 15.315 -13.720 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.167 16.651 -14.685 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.873 13.863 -15.738 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.253 14.493 -15.520 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.976 16.438 -17.110 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.368 15.447 -17.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.539 15.036 -19.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.866 13.636 -18.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.518 14.596 -17.755 1.00 0.00 H new ATOM 2041 N ARG A 65 13.232 17.790 -12.395 1.00 0.00 N ATOM 2042 CA ARG A 65 12.416 18.929 -11.885 1.00 0.00 C ATOM 2043 C ARG A 65 13.284 19.841 -11.006 1.00 0.00 C ATOM 2044 O ARG A 65 14.218 19.397 -10.366 1.00 0.00 O ATOM 2045 CB ARG A 65 11.236 18.385 -11.069 1.00 0.00 C ATOM 2046 CG ARG A 65 10.327 17.524 -11.966 1.00 0.00 C ATOM 2047 CD ARG A 65 9.606 18.403 -13.003 1.00 0.00 C ATOM 2048 NE ARG A 65 8.310 17.761 -13.406 1.00 0.00 N ATOM 2049 CZ ARG A 65 8.259 16.531 -13.849 1.00 0.00 C ATOM 2050 NH1 ARG A 65 9.355 15.867 -14.087 1.00 0.00 N ATOM 2051 NH2 ARG A 65 7.101 15.983 -14.103 1.00 0.00 N ATOM 0 H ARG A 65 13.034 16.888 -11.962 1.00 0.00 H new ATOM 0 HA ARG A 65 12.037 19.508 -12.727 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.605 17.790 -10.233 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.665 19.211 -10.645 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.921 16.765 -12.474 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.594 16.998 -11.354 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.417 19.392 -12.586 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.240 18.542 -13.878 1.00 0.00 H new ATOM 0 HE ARG A 65 7.446 18.298 -13.332 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.262 16.306 -13.928 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.306 14.908 -14.432 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.242 16.514 -13.956 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.055 15.024 -14.449 1.00 0.00 H new ATOM 2065 N ARG A 66 12.985 21.115 -10.983 1.00 0.00 N ATOM 2066 CA ARG A 66 13.790 22.072 -10.163 1.00 0.00 C ATOM 2067 C ARG A 66 13.332 22.019 -8.703 1.00 0.00 C ATOM 2068 O ARG A 66 13.871 22.771 -7.906 1.00 0.00 O ATOM 2069 CB ARG A 66 13.578 23.491 -10.703 1.00 0.00 C ATOM 2070 CG ARG A 66 14.161 23.625 -12.122 1.00 0.00 C ATOM 2071 CD ARG A 66 15.678 23.860 -12.061 1.00 0.00 C ATOM 2072 NE ARG A 66 16.183 24.259 -13.419 1.00 0.00 N ATOM 2073 CZ ARG A 66 16.020 23.499 -14.468 1.00 0.00 C ATOM 2074 NH1 ARG A 66 15.556 22.287 -14.343 1.00 0.00 N ATOM 2075 NH2 ARG A 66 16.371 23.938 -15.646 1.00 0.00 N ATOM 2076 OXT ARG A 66 12.448 21.232 -8.406 1.00 0.00 O ATOM 0 H ARG A 66 12.213 21.536 -11.500 1.00 0.00 H new ATOM 0 HA ARG A 66 14.844 21.801 -10.220 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.513 23.725 -10.718 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.053 24.213 -10.039 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.950 22.722 -12.695 1.00 0.00 H new ATOM 0 HG3 ARG A 66 13.680 24.453 -12.643 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.906 24.639 -11.334 1.00 0.00 H new ATOM 0 HD3 ARG A 66 16.183 22.954 -11.726 1.00 0.00 H new ATOM 0 HE ARG A 66 16.668 25.150 -13.524 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.317 21.925 -13.420 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.432 21.701 -15.168 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.771 24.871 -15.744 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.246 23.348 -16.468 1.00 0.00 H new TER 2090 ARG A 66 HETATM 2091 ZN ZN A 67 -11.656 2.859 2.248 1.00 0.00 ZN