USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=28 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 -120:sc= -2.23! USER MOD Set 1.2: C 125 DT C7 :methyl 150:sc= -2.98! (180deg=-0.86) USER MOD Single : A 1 LYS N :NH3+ -128:sc= -1.25 (180deg=-3.01) USER MOD Single : A 1 LYS NZ :NH3+ -151:sc= -0.216 (180deg=-1.26!) USER MOD Single : A 5 THR OG1 : rot 166:sc= 1.18 USER MOD Single : A 8 SER OG : rot 75:sc= 1.17 USER MOD Single : A 9 ASN : amide:sc= -1.68! K(o=-1.7!,f=-1) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot -100:sc= 0.0254 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 63:sc= 0.747 USER MOD Single : A 15 THR OG1 : rot -140:sc= 0.328 USER MOD Single : A 21 SER OG : rot 180:sc= 0.54 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.34) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -5.77! C(o=-5.8!,f=-11!) USER MOD Single : A 39 GLN : amide:sc= -0.105 K(o=-0.11,f=-2.6!) USER MOD Single : A 41 ASN : amide:sc= -0.932 X(o=-0.93,f=-1.4) USER MOD Single : A 45 THR OG1 : rot -22:sc= 0.275 USER MOD Single : A 46 MET CE :methyl 179:sc= -0.611 (180deg=-0.616) USER MOD Single : A 48 LYS NZ :NH3+ -117:sc= -0.326 (180deg=-2.06) USER MOD Single : A 52 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.94) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 55 ASN : amide:sc= -2.31 K(o=-2.3,f=-5.7!) USER MOD Single : A 57 LYS NZ :NH3+ 165:sc= -0.0103 (180deg=-0.265) USER MOD Single : A 59 SER OG : rot -62:sc= 1.06 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -165:sc=-0.00411 (180deg=-0.216) 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= -0.212 USER MOD Single : B 102 DT C7 :methyl -30:sc= -1.52! (180deg=-2.37!) USER MOD Single : B 103 DT C7 :methyl -30:sc= -1.78! (180deg=-2.09!) USER MOD Single : B 109 DT C7 :methyl 150:sc= -2.68! (180deg=-2.68!) USER MOD Single : B 115 DT C7 :methyl 150:sc= -0.436 (180deg=-0.436) USER MOD Single : B 116 DT C7 :methyl 150:sc= -0.352 (180deg=-0.352) USER MOD Single : B 116 DT O3' : rot 180:sc= 0 USER MOD Single : C 117 DA O5' : rot 79:sc= -1.91! USER MOD Single : C 119 DT C7 :methyl 150:sc= -0.873 (180deg=-0.873) USER MOD Single : C 121 DT C7 :methyl 150:sc= -0.134 (180deg=-0.134) USER MOD Single : C 122 DT C7 :methyl 150:sc= -0.667 (180deg=-0.667) USER MOD Single : C 123 DT C7 :methyl -30:sc= -2.36! (180deg=-3.33!) USER MOD Single : C 127 DT C7 :methyl -30:sc= -1.65 (180deg=-1.75!) USER MOD Single : C 132 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG B 101 19.838 22.698 9.534 1.00 0.00 O ATOM 2 C5' DG B 101 20.257 22.119 10.773 1.00 0.00 C ATOM 3 C4' DG B 101 19.178 21.205 11.359 1.00 0.00 C ATOM 4 O4' DG B 101 18.056 21.996 11.818 1.00 0.00 O ATOM 5 C3' DG B 101 18.653 20.196 10.327 1.00 0.00 C ATOM 6 O3' DG B 101 18.662 18.872 10.872 1.00 0.00 O ATOM 7 C2' DG B 101 17.240 20.626 10.027 1.00 0.00 C ATOM 8 C1' DG B 101 16.870 21.679 11.057 1.00 0.00 C ATOM 9 N9 DG B 101 16.322 22.883 10.403 1.00 0.00 N ATOM 10 C8 DG B 101 16.848 23.635 9.390 1.00 0.00 C ATOM 11 N7 DG B 101 16.123 24.649 9.022 1.00 0.00 N ATOM 12 C5 DG B 101 15.016 24.570 9.865 1.00 0.00 C ATOM 13 C6 DG B 101 13.870 25.406 9.946 1.00 0.00 C ATOM 14 O6 DG B 101 13.599 26.396 9.270 1.00 0.00 O ATOM 15 N1 DG B 101 12.995 24.974 10.934 1.00 0.00 N ATOM 16 C2 DG B 101 13.192 23.873 11.742 1.00 0.00 C ATOM 17 N2 DG B 101 12.236 23.612 12.632 1.00 0.00 N ATOM 18 N3 DG B 101 14.266 23.087 11.667 1.00 0.00 N ATOM 19 C4 DG B 101 15.132 23.492 10.713 1.00 0.00 C ATOM 0 H5' DG B 101 20.491 22.911 11.485 1.00 0.00 H new ATOM 0 H5'' DG B 101 21.173 21.549 10.618 1.00 0.00 H new ATOM 0 H4' DG B 101 19.639 20.661 12.184 1.00 0.00 H new ATOM 0 H3' DG B 101 19.272 20.178 9.430 1.00 0.00 H new ATOM 0 H2' DG B 101 17.166 21.031 9.018 1.00 0.00 H new ATOM 0 H2'' DG B 101 16.559 19.777 10.081 1.00 0.00 H new ATOM 0 HO5' DG B 101 20.548 23.277 9.187 1.00 0.00 H new ATOM 0 H1' DG B 101 16.095 21.297 11.721 1.00 0.00 H new ATOM 0 H8 DG B 101 17.797 23.403 8.929 1.00 0.00 H new ATOM 0 H1 DG B 101 12.140 25.513 11.073 1.00 0.00 H new ATOM 0 H21 DG B 101 12.326 22.811 13.257 1.00 0.00 H new ATOM 0 H22 DG B 101 11.414 24.213 12.688 1.00 0.00 H new ATOM 32 P DT B 102 18.116 17.612 10.023 1.00 0.00 P ATOM 33 OP1 DT B 102 18.909 16.420 10.397 1.00 0.00 O ATOM 34 OP2 DT B 102 18.019 18.018 8.603 1.00 0.00 O ATOM 35 O5' DT B 102 16.616 17.419 10.593 1.00 0.00 O ATOM 36 C5' DT B 102 16.413 17.145 11.983 1.00 0.00 C ATOM 37 C4' DT B 102 14.930 16.991 12.350 1.00 0.00 C ATOM 38 O4' DT B 102 14.237 18.262 12.245 1.00 0.00 O ATOM 39 C3' DT B 102 14.200 15.990 11.448 1.00 0.00 C ATOM 40 O3' DT B 102 13.622 14.950 12.243 1.00 0.00 O ATOM 41 C2' DT B 102 13.109 16.771 10.759 1.00 0.00 C ATOM 42 C1' DT B 102 13.026 18.115 11.464 1.00 0.00 C ATOM 43 N1 DT B 102 12.870 19.242 10.504 1.00 0.00 N ATOM 44 C2 DT B 102 11.755 20.064 10.625 1.00 0.00 C ATOM 45 O2 DT B 102 10.888 19.866 11.473 1.00 0.00 O ATOM 46 N3 DT B 102 11.677 21.120 9.738 1.00 0.00 N ATOM 47 C4 DT B 102 12.597 21.426 8.752 1.00 0.00 C ATOM 48 O4 DT B 102 12.429 22.398 8.019 1.00 0.00 O ATOM 49 C5 DT B 102 13.720 20.517 8.692 1.00 0.00 C ATOM 50 C7 DT B 102 14.802 20.746 7.630 1.00 0.00 C ATOM 51 C6 DT B 102 13.817 19.477 9.553 1.00 0.00 C ATOM 0 H5' DT B 102 16.847 17.951 12.574 1.00 0.00 H new ATOM 0 H5'' DT B 102 16.945 16.232 12.250 1.00 0.00 H new ATOM 0 H4' DT B 102 14.916 16.623 13.376 1.00 0.00 H new ATOM 0 H3' DT B 102 14.878 15.527 10.732 1.00 0.00 H new ATOM 0 H2' DT B 102 13.335 16.902 9.701 1.00 0.00 H new ATOM 0 H2'' DT B 102 12.157 16.243 10.819 1.00 0.00 H new ATOM 0 H1' DT B 102 12.144 18.144 12.103 1.00 0.00 H new ATOM 0 H3 DT B 102 10.865 21.731 9.818 1.00 0.00 H new ATOM 0 H71 DT B 102 14.357 21.214 6.752 1.00 0.00 H new ATOM 0 H72 DT B 102 15.577 21.397 8.035 1.00 0.00 H new ATOM 0 H73 DT B 102 15.243 19.790 7.347 1.00 0.00 H new ATOM 0 H6 DT B 102 14.668 18.816 9.484 1.00 0.00 H new ATOM 64 P DT B 103 12.789 13.747 11.571 1.00 0.00 P ATOM 65 OP1 DT B 103 12.829 12.585 12.488 1.00 0.00 O ATOM 66 OP2 DT B 103 13.232 13.600 10.167 1.00 0.00 O ATOM 67 O5' DT B 103 11.288 14.342 11.571 1.00 0.00 O ATOM 68 C5' DT B 103 10.668 14.699 12.810 1.00 0.00 C ATOM 69 C4' DT B 103 9.246 15.248 12.627 1.00 0.00 C ATOM 70 O4' DT B 103 9.287 16.562 12.017 1.00 0.00 O ATOM 71 C3' DT B 103 8.378 14.341 11.744 1.00 0.00 C ATOM 72 O3' DT B 103 7.265 13.851 12.490 1.00 0.00 O ATOM 73 C2' DT B 103 7.880 15.223 10.618 1.00 0.00 C ATOM 74 C1' DT B 103 8.330 16.644 10.941 1.00 0.00 C ATOM 75 N1 DT B 103 8.921 17.313 9.748 1.00 0.00 N ATOM 76 C2 DT B 103 8.330 18.478 9.281 1.00 0.00 C ATOM 77 O2 DT B 103 7.323 18.953 9.802 1.00 0.00 O ATOM 78 N3 DT B 103 8.937 19.075 8.193 1.00 0.00 N ATOM 79 C4 DT B 103 10.067 18.621 7.540 1.00 0.00 C ATOM 80 O4 DT B 103 10.522 19.232 6.577 1.00 0.00 O ATOM 81 C5 DT B 103 10.617 17.406 8.090 1.00 0.00 C ATOM 82 C7 DT B 103 11.887 16.822 7.461 1.00 0.00 C ATOM 83 C6 DT B 103 10.035 16.800 9.154 1.00 0.00 C ATOM 0 H5' DT B 103 11.279 15.447 13.315 1.00 0.00 H new ATOM 0 H5'' DT B 103 10.634 13.824 13.459 1.00 0.00 H new ATOM 0 H4' DT B 103 8.804 15.296 13.622 1.00 0.00 H new ATOM 0 H3' DT B 103 8.940 13.482 11.377 1.00 0.00 H new ATOM 0 H2' DT B 103 8.288 14.896 9.661 1.00 0.00 H new ATOM 0 H2'' DT B 103 6.794 15.170 10.537 1.00 0.00 H new ATOM 0 H1' DT B 103 7.473 17.248 11.239 1.00 0.00 H new ATOM 0 H3 DT B 103 8.511 19.931 7.838 1.00 0.00 H new ATOM 0 H71 DT B 103 11.918 17.076 6.401 1.00 0.00 H new ATOM 0 H72 DT B 103 12.763 17.237 7.959 1.00 0.00 H new ATOM 0 H73 DT B 103 11.884 15.738 7.575 1.00 0.00 H new ATOM 0 H6 DT B 103 10.465 15.888 9.541 1.00 0.00 H new ATOM 96 P DG B 104 6.233 12.789 11.856 1.00 0.00 P ATOM 97 OP1 DG B 104 5.594 12.045 12.964 1.00 0.00 O ATOM 98 OP2 DG B 104 6.936 12.050 10.783 1.00 0.00 O ATOM 99 O5' DG B 104 5.117 13.732 11.173 1.00 0.00 O ATOM 100 C5' DG B 104 4.369 14.651 11.972 1.00 0.00 C ATOM 101 C4' DG B 104 3.358 15.458 11.145 1.00 0.00 C ATOM 102 O4' DG B 104 4.046 16.386 10.266 1.00 0.00 O ATOM 103 C3' DG B 104 2.481 14.550 10.277 1.00 0.00 C ATOM 104 O3' DG B 104 1.101 14.834 10.515 1.00 0.00 O ATOM 105 C2' DG B 104 2.818 14.896 8.850 1.00 0.00 C ATOM 106 C1' DG B 104 3.707 16.124 8.883 1.00 0.00 C ATOM 107 N9 DG B 104 4.923 15.930 8.063 1.00 0.00 N ATOM 108 C8 DG B 104 5.852 14.930 8.117 1.00 0.00 C ATOM 109 N7 DG B 104 6.847 15.051 7.289 1.00 0.00 N ATOM 110 C5 DG B 104 6.559 16.236 6.613 1.00 0.00 C ATOM 111 C6 DG B 104 7.280 16.898 5.578 1.00 0.00 C ATOM 112 O6 DG B 104 8.340 16.566 5.048 1.00 0.00 O ATOM 113 N1 DG B 104 6.638 18.061 5.174 1.00 0.00 N ATOM 114 C2 DG B 104 5.452 18.534 5.697 1.00 0.00 C ATOM 115 N2 DG B 104 4.982 19.659 5.160 1.00 0.00 N ATOM 116 N3 DG B 104 4.773 17.920 6.671 1.00 0.00 N ATOM 117 C4 DG B 104 5.381 16.781 7.080 1.00 0.00 C ATOM 0 H5' DG B 104 5.055 15.336 12.471 1.00 0.00 H new ATOM 0 H5'' DG B 104 3.841 14.103 12.752 1.00 0.00 H new ATOM 0 H4' DG B 104 2.730 15.995 11.856 1.00 0.00 H new ATOM 0 H3' DG B 104 2.656 13.497 10.498 1.00 0.00 H new ATOM 0 H2' DG B 104 3.328 14.065 8.363 1.00 0.00 H new ATOM 0 H2'' DG B 104 1.911 15.093 8.278 1.00 0.00 H new ATOM 0 H1' DG B 104 3.179 16.977 8.457 1.00 0.00 H new ATOM 0 H8 DG B 104 5.766 14.097 8.800 1.00 0.00 H new ATOM 0 H1 DG B 104 7.077 18.608 4.433 1.00 0.00 H new ATOM 0 H21 DG B 104 4.109 20.061 5.502 1.00 0.00 H new ATOM 0 H22 DG B 104 5.495 20.118 4.407 1.00 0.00 H new ATOM 129 P DC B 105 -0.070 13.980 9.808 1.00 0.00 P ATOM 130 OP1 DC B 105 -1.278 14.072 10.654 1.00 0.00 O ATOM 131 OP2 DC B 105 0.483 12.652 9.463 1.00 0.00 O ATOM 132 O5' DC B 105 -0.368 14.762 8.427 1.00 0.00 O ATOM 133 C5' DC B 105 -0.805 16.125 8.428 1.00 0.00 C ATOM 134 C4' DC B 105 -1.059 16.643 7.006 1.00 0.00 C ATOM 135 O4' DC B 105 0.182 16.800 6.268 1.00 0.00 O ATOM 136 C3' DC B 105 -1.952 15.677 6.217 1.00 0.00 C ATOM 137 O3' DC B 105 -3.048 16.400 5.652 1.00 0.00 O ATOM 138 C2' DC B 105 -1.071 15.111 5.129 1.00 0.00 C ATOM 139 C1' DC B 105 0.131 16.039 5.035 1.00 0.00 C ATOM 140 N1 DC B 105 1.412 15.303 4.814 1.00 0.00 N ATOM 141 C2 DC B 105 2.182 15.638 3.701 1.00 0.00 C ATOM 142 O2 DC B 105 1.767 16.468 2.896 1.00 0.00 O ATOM 143 N3 DC B 105 3.385 15.023 3.536 1.00 0.00 N ATOM 144 C4 DC B 105 3.823 14.119 4.420 1.00 0.00 C ATOM 145 N4 DC B 105 5.014 13.549 4.241 1.00 0.00 N ATOM 146 C5 DC B 105 3.037 13.768 5.560 1.00 0.00 C ATOM 147 C6 DC B 105 1.847 14.382 5.713 1.00 0.00 C ATOM 0 H5' DC B 105 -0.053 16.747 8.913 1.00 0.00 H new ATOM 0 H5'' DC B 105 -1.719 16.213 9.016 1.00 0.00 H new ATOM 0 H4' DC B 105 -1.551 17.609 7.114 1.00 0.00 H new ATOM 0 H3' DC B 105 -2.367 14.886 6.842 1.00 0.00 H new ATOM 0 H2' DC B 105 -0.761 14.094 5.368 1.00 0.00 H new ATOM 0 H2'' DC B 105 -1.604 15.066 4.179 1.00 0.00 H new ATOM 0 H1' DC B 105 0.015 16.693 4.170 1.00 0.00 H new ATOM 0 H41 DC B 105 5.355 12.859 4.910 1.00 0.00 H new ATOM 0 H42 DC B 105 5.585 13.803 3.435 1.00 0.00 H new ATOM 0 H5 DC B 105 3.384 13.036 6.274 1.00 0.00 H new ATOM 0 H6 DC B 105 1.229 14.138 6.564 1.00 0.00 H new ATOM 159 P DA B 106 -4.173 15.676 4.760 1.00 0.00 P ATOM 160 OP1 DA B 106 -5.467 16.349 5.020 1.00 0.00 O ATOM 161 OP2 DA B 106 -4.052 14.215 4.959 1.00 0.00 O ATOM 162 O5' DA B 106 -3.733 16.011 3.248 1.00 0.00 O ATOM 163 C5' DA B 106 -3.642 17.369 2.807 1.00 0.00 C ATOM 164 C4' DA B 106 -3.228 17.463 1.334 1.00 0.00 C ATOM 165 O4' DA B 106 -1.842 17.071 1.144 1.00 0.00 O ATOM 166 C3' DA B 106 -4.100 16.552 0.462 1.00 0.00 C ATOM 167 O3' DA B 106 -4.711 17.306 -0.573 1.00 0.00 O ATOM 168 C2' DA B 106 -3.154 15.533 -0.145 1.00 0.00 C ATOM 169 C1' DA B 106 -1.741 16.016 0.153 1.00 0.00 C ATOM 170 N9 DA B 106 -0.902 14.914 0.645 1.00 0.00 N ATOM 171 C8 DA B 106 -1.134 14.117 1.702 1.00 0.00 C ATOM 172 N7 DA B 106 -0.199 13.261 1.977 1.00 0.00 N ATOM 173 C5 DA B 106 0.751 13.511 0.990 1.00 0.00 C ATOM 174 C6 DA B 106 1.995 12.937 0.706 1.00 0.00 C ATOM 175 N6 DA B 106 2.538 11.971 1.446 1.00 0.00 N ATOM 176 N1 DA B 106 2.669 13.414 -0.352 1.00 0.00 N ATOM 177 C2 DA B 106 2.155 14.398 -1.088 1.00 0.00 C ATOM 178 N3 DA B 106 0.988 15.019 -0.903 1.00 0.00 N ATOM 179 C4 DA B 106 0.331 14.517 0.165 1.00 0.00 C ATOM 0 H5' DA B 106 -2.918 17.903 3.423 1.00 0.00 H new ATOM 0 H5'' DA B 106 -4.604 17.862 2.946 1.00 0.00 H new ATOM 0 H4' DA B 106 -3.358 18.505 1.040 1.00 0.00 H new ATOM 0 H3' DA B 106 -4.891 16.080 1.045 1.00 0.00 H new ATOM 0 H2' DA B 106 -3.323 14.545 0.283 1.00 0.00 H new ATOM 0 H2'' DA B 106 -3.315 15.447 -1.220 1.00 0.00 H new ATOM 0 H1' DA B 106 -1.270 16.391 -0.755 1.00 0.00 H new ATOM 0 H8 DA B 106 -2.041 14.185 2.285 1.00 0.00 H new ATOM 0 H61 DA B 106 3.449 11.587 1.194 1.00 0.00 H new ATOM 0 H62 DA B 106 2.043 11.616 2.264 1.00 0.00 H new ATOM 0 H2 DA B 106 2.748 14.730 -1.927 1.00 0.00 H new ATOM 191 P DG B 107 -5.679 16.592 -1.631 1.00 0.00 P ATOM 192 OP1 DG B 107 -6.578 17.613 -2.217 1.00 0.00 O ATOM 193 OP2 DG B 107 -6.241 15.372 -1.007 1.00 0.00 O ATOM 194 O5' DG B 107 -4.606 16.156 -2.736 1.00 0.00 O ATOM 195 C5' DG B 107 -3.827 17.157 -3.381 1.00 0.00 C ATOM 196 C4' DG B 107 -2.815 16.558 -4.354 1.00 0.00 C ATOM 197 O4' DG B 107 -1.745 15.859 -3.652 1.00 0.00 O ATOM 198 C3' DG B 107 -3.464 15.554 -5.310 1.00 0.00 C ATOM 199 O3' DG B 107 -3.309 16.017 -6.654 1.00 0.00 O ATOM 200 C2' DG B 107 -2.729 14.258 -5.102 1.00 0.00 C ATOM 201 C1' DG B 107 -1.487 14.596 -4.311 1.00 0.00 C ATOM 202 N9 DG B 107 -1.122 13.508 -3.362 1.00 0.00 N ATOM 203 C8 DG B 107 -1.830 12.968 -2.311 1.00 0.00 C ATOM 204 N7 DG B 107 -1.231 12.018 -1.676 1.00 0.00 N ATOM 205 C5 DG B 107 -0.019 11.897 -2.339 1.00 0.00 C ATOM 206 C6 DG B 107 1.055 11.011 -2.086 1.00 0.00 C ATOM 207 O6 DG B 107 1.128 10.147 -1.219 1.00 0.00 O ATOM 208 N1 DG B 107 2.098 11.202 -2.977 1.00 0.00 N ATOM 209 C2 DG B 107 2.112 12.132 -3.995 1.00 0.00 C ATOM 210 N2 DG B 107 3.212 12.158 -4.752 1.00 0.00 N ATOM 211 N3 DG B 107 1.097 12.975 -4.239 1.00 0.00 N ATOM 212 C4 DG B 107 0.066 12.800 -3.372 1.00 0.00 C ATOM 0 H5' DG B 107 -3.302 17.747 -2.630 1.00 0.00 H new ATOM 0 H5'' DG B 107 -4.486 17.839 -3.918 1.00 0.00 H new ATOM 0 H4' DG B 107 -2.414 17.402 -4.916 1.00 0.00 H new ATOM 0 H3' DG B 107 -4.531 15.430 -5.125 1.00 0.00 H new ATOM 0 H2' DG B 107 -3.349 13.541 -4.564 1.00 0.00 H new ATOM 0 H2'' DG B 107 -2.469 13.801 -6.057 1.00 0.00 H new ATOM 0 H1' DG B 107 -0.620 14.690 -4.964 1.00 0.00 H new ATOM 0 H8 DG B 107 -2.816 13.315 -2.038 1.00 0.00 H new ATOM 0 H1 DG B 107 2.921 10.608 -2.872 1.00 0.00 H new ATOM 0 H21 DG B 107 3.286 12.823 -5.522 1.00 0.00 H new ATOM 0 H22 DG B 107 3.978 11.513 -4.560 1.00 0.00 H new ATOM 224 P DA B 108 -3.878 15.197 -7.915 1.00 0.00 P ATOM 225 OP1 DA B 108 -4.326 16.169 -8.936 1.00 0.00 O ATOM 226 OP2 DA B 108 -4.821 14.172 -7.411 1.00 0.00 O ATOM 227 O5' DA B 108 -2.566 14.439 -8.480 1.00 0.00 O ATOM 228 C5' DA B 108 -1.443 15.218 -8.917 1.00 0.00 C ATOM 229 C4' DA B 108 -0.274 14.365 -9.437 1.00 0.00 C ATOM 230 O4' DA B 108 0.378 13.645 -8.355 1.00 0.00 O ATOM 231 C3' DA B 108 -0.747 13.330 -10.465 1.00 0.00 C ATOM 232 O3' DA B 108 0.069 13.402 -11.641 1.00 0.00 O ATOM 233 C2' DA B 108 -0.585 11.994 -9.788 1.00 0.00 C ATOM 234 C1' DA B 108 0.348 12.220 -8.613 1.00 0.00 C ATOM 235 N9 DA B 108 -0.090 11.472 -7.414 1.00 0.00 N ATOM 236 C8 DA B 108 -1.290 11.517 -6.764 1.00 0.00 C ATOM 237 N7 DA B 108 -1.355 10.824 -5.670 1.00 0.00 N ATOM 238 C5 DA B 108 -0.089 10.256 -5.583 1.00 0.00 C ATOM 239 C6 DA B 108 0.495 9.399 -4.648 1.00 0.00 C ATOM 240 N6 DA B 108 -0.134 8.996 -3.550 1.00 0.00 N ATOM 241 N1 DA B 108 1.762 9.010 -4.863 1.00 0.00 N ATOM 242 C2 DA B 108 2.423 9.447 -5.933 1.00 0.00 C ATOM 243 N3 DA B 108 1.968 10.270 -6.879 1.00 0.00 N ATOM 244 C4 DA B 108 0.690 10.637 -6.639 1.00 0.00 C ATOM 0 H5' DA B 108 -1.093 15.834 -8.089 1.00 0.00 H new ATOM 0 H5'' DA B 108 -1.766 15.898 -9.706 1.00 0.00 H new ATOM 0 H4' DA B 108 0.426 15.059 -9.902 1.00 0.00 H new ATOM 0 H3' DA B 108 -1.777 13.499 -10.778 1.00 0.00 H new ATOM 0 H2' DA B 108 -1.548 11.610 -9.451 1.00 0.00 H new ATOM 0 H2'' DA B 108 -0.171 11.257 -10.477 1.00 0.00 H new ATOM 0 H1' DA B 108 1.345 11.851 -8.853 1.00 0.00 H new ATOM 0 H8 DA B 108 -2.127 12.090 -7.135 1.00 0.00 H new ATOM 0 H61 DA B 108 0.334 8.369 -2.895 1.00 0.00 H new ATOM 0 H62 DA B 108 -1.085 9.314 -3.361 1.00 0.00 H new ATOM 0 H2 DA B 108 3.438 9.097 -6.047 1.00 0.00 H new ATOM 256 P DT B 109 -0.181 12.436 -12.909 1.00 0.00 P ATOM 257 OP1 DT B 109 0.136 13.199 -14.138 1.00 0.00 O ATOM 258 OP2 DT B 109 -1.517 11.816 -12.758 1.00 0.00 O ATOM 259 O5' DT B 109 0.931 11.276 -12.743 1.00 0.00 O ATOM 260 C5' DT B 109 2.319 11.627 -12.732 1.00 0.00 C ATOM 261 C4' DT B 109 3.242 10.411 -12.567 1.00 0.00 C ATOM 262 O4' DT B 109 3.140 9.868 -11.228 1.00 0.00 O ATOM 263 C3' DT B 109 2.907 9.291 -13.564 1.00 0.00 C ATOM 264 O3' DT B 109 4.031 9.011 -14.397 1.00 0.00 O ATOM 265 C2' DT B 109 2.612 8.072 -12.728 1.00 0.00 C ATOM 266 C1' DT B 109 2.904 8.445 -11.280 1.00 0.00 C ATOM 267 N1 DT B 109 1.775 8.061 -10.394 1.00 0.00 N ATOM 268 C2 DT B 109 2.016 7.166 -9.361 1.00 0.00 C ATOM 269 O2 DT B 109 3.118 6.650 -9.185 1.00 0.00 O ATOM 270 N3 DT B 109 0.939 6.877 -8.546 1.00 0.00 N ATOM 271 C4 DT B 109 -0.337 7.398 -8.670 1.00 0.00 C ATOM 272 O4 DT B 109 -1.224 7.076 -7.889 1.00 0.00 O ATOM 273 C5 DT B 109 -0.497 8.318 -9.769 1.00 0.00 C ATOM 274 C7 DT B 109 -1.870 8.959 -10.000 1.00 0.00 C ATOM 275 C6 DT B 109 0.544 8.614 -10.581 1.00 0.00 C ATOM 0 H5' DT B 109 2.504 12.330 -11.920 1.00 0.00 H new ATOM 0 H5'' DT B 109 2.566 12.141 -13.661 1.00 0.00 H new ATOM 0 H4' DT B 109 4.255 10.766 -12.758 1.00 0.00 H new ATOM 0 H3' DT B 109 2.071 9.576 -14.203 1.00 0.00 H new ATOM 0 H2' DT B 109 1.572 7.766 -12.845 1.00 0.00 H new ATOM 0 H2'' DT B 109 3.229 7.230 -13.042 1.00 0.00 H new ATOM 0 H1' DT B 109 3.783 7.907 -10.925 1.00 0.00 H new ATOM 0 H3 DT B 109 1.099 6.219 -7.783 1.00 0.00 H new ATOM 0 H71 DT B 109 -1.741 9.945 -10.447 1.00 0.00 H new ATOM 0 H72 DT B 109 -2.457 8.331 -10.670 1.00 0.00 H new ATOM 0 H73 DT B 109 -2.390 9.058 -9.047 1.00 0.00 H new ATOM 0 H6 DT B 109 0.396 9.305 -11.397 1.00 0.00 H new ATOM 288 P DA B 110 3.927 7.983 -15.635 1.00 0.00 P ATOM 289 OP1 DA B 110 4.998 8.306 -16.602 1.00 0.00 O ATOM 290 OP2 DA B 110 2.517 7.942 -16.084 1.00 0.00 O ATOM 291 O5' DA B 110 4.275 6.564 -14.952 1.00 0.00 O ATOM 292 C5' DA B 110 5.537 6.366 -14.318 1.00 0.00 C ATOM 293 C4' DA B 110 5.680 4.957 -13.731 1.00 0.00 C ATOM 294 O4' DA B 110 4.773 4.794 -12.604 1.00 0.00 O ATOM 295 C3' DA B 110 5.338 3.858 -14.741 1.00 0.00 C ATOM 296 O3' DA B 110 6.370 2.866 -14.714 1.00 0.00 O ATOM 297 C2' DA B 110 4.025 3.271 -14.299 1.00 0.00 C ATOM 298 C1' DA B 110 3.776 3.775 -12.888 1.00 0.00 C ATOM 299 N9 DA B 110 2.404 4.316 -12.751 1.00 0.00 N ATOM 300 C8 DA B 110 1.749 5.221 -13.538 1.00 0.00 C ATOM 301 N7 DA B 110 0.543 5.513 -13.161 1.00 0.00 N ATOM 302 C5 DA B 110 0.373 4.734 -12.022 1.00 0.00 C ATOM 303 C6 DA B 110 -0.701 4.579 -11.141 1.00 0.00 C ATOM 304 N6 DA B 110 -1.851 5.236 -11.279 1.00 0.00 N ATOM 305 N1 DA B 110 -0.542 3.727 -10.116 1.00 0.00 N ATOM 306 C2 DA B 110 0.605 3.065 -9.964 1.00 0.00 C ATOM 307 N3 DA B 110 1.686 3.139 -10.740 1.00 0.00 N ATOM 308 C4 DA B 110 1.497 4.002 -11.761 1.00 0.00 C ATOM 0 H5' DA B 110 5.661 7.102 -13.524 1.00 0.00 H new ATOM 0 H5'' DA B 110 6.335 6.539 -15.040 1.00 0.00 H new ATOM 0 H4' DA B 110 6.724 4.858 -13.433 1.00 0.00 H new ATOM 0 H3' DA B 110 5.263 4.240 -15.759 1.00 0.00 H new ATOM 0 H2' DA B 110 3.220 3.577 -14.967 1.00 0.00 H new ATOM 0 H2'' DA B 110 4.061 2.182 -14.320 1.00 0.00 H new ATOM 0 H1' DA B 110 3.861 2.956 -12.173 1.00 0.00 H new ATOM 0 H8 DA B 110 2.204 5.662 -14.413 1.00 0.00 H new ATOM 0 H61 DA B 110 -2.606 5.089 -10.609 1.00 0.00 H new ATOM 0 H62 DA B 110 -1.977 5.887 -12.054 1.00 0.00 H new ATOM 0 H2 DA B 110 0.665 2.395 -9.119 1.00 0.00 H new ATOM 320 P DA B 111 6.334 1.561 -15.655 1.00 0.00 P ATOM 321 OP1 DA B 111 7.724 1.220 -16.033 1.00 0.00 O ATOM 322 OP2 DA B 111 5.311 1.771 -16.705 1.00 0.00 O ATOM 323 O5' DA B 111 5.790 0.438 -14.629 1.00 0.00 O ATOM 324 C5' DA B 111 6.556 0.159 -13.449 1.00 0.00 C ATOM 325 C4' DA B 111 5.833 -0.760 -12.452 1.00 0.00 C ATOM 326 O4' DA B 111 4.607 -0.146 -11.985 1.00 0.00 O ATOM 327 C3' DA B 111 5.484 -2.130 -13.050 1.00 0.00 C ATOM 328 O3' DA B 111 6.126 -3.156 -12.289 1.00 0.00 O ATOM 329 C2' DA B 111 3.978 -2.256 -12.937 1.00 0.00 C ATOM 330 C1' DA B 111 3.490 -1.054 -12.135 1.00 0.00 C ATOM 331 N9 DA B 111 2.370 -0.388 -12.826 1.00 0.00 N ATOM 332 C8 DA B 111 2.363 0.184 -14.058 1.00 0.00 C ATOM 333 N7 DA B 111 1.238 0.729 -14.412 1.00 0.00 N ATOM 334 C5 DA B 111 0.416 0.494 -13.313 1.00 0.00 C ATOM 335 C6 DA B 111 -0.920 0.814 -13.044 1.00 0.00 C ATOM 336 N6 DA B 111 -1.695 1.482 -13.900 1.00 0.00 N ATOM 337 N1 DA B 111 -1.422 0.426 -11.862 1.00 0.00 N ATOM 338 C2 DA B 111 -0.660 -0.237 -10.991 1.00 0.00 C ATOM 339 N3 DA B 111 0.615 -0.589 -11.143 1.00 0.00 N ATOM 340 C4 DA B 111 1.094 -0.188 -12.339 1.00 0.00 C ATOM 0 H5' DA B 111 6.800 1.099 -12.953 1.00 0.00 H new ATOM 0 H5'' DA B 111 7.500 -0.303 -13.739 1.00 0.00 H new ATOM 0 H4' DA B 111 6.529 -0.909 -11.626 1.00 0.00 H new ATOM 0 H3' DA B 111 5.814 -2.225 -14.085 1.00 0.00 H new ATOM 0 H2' DA B 111 3.517 -2.274 -13.925 1.00 0.00 H new ATOM 0 H2'' DA B 111 3.705 -3.187 -12.441 1.00 0.00 H new ATOM 0 H1' DA B 111 3.126 -1.373 -11.158 1.00 0.00 H new ATOM 0 H8 DA B 111 3.232 0.186 -14.699 1.00 0.00 H new ATOM 0 H61 DA B 111 -2.663 1.690 -13.656 1.00 0.00 H new ATOM 0 H62 DA B 111 -1.319 1.784 -14.799 1.00 0.00 H new ATOM 0 H2 DA B 111 -1.129 -0.519 -10.060 1.00 0.00 H new ATOM 352 P DA B 112 6.020 -4.717 -12.684 1.00 0.00 P ATOM 353 OP1 DA B 112 7.160 -5.430 -12.064 1.00 0.00 O ATOM 354 OP2 DA B 112 5.791 -4.815 -14.142 1.00 0.00 O ATOM 355 O5' DA B 112 4.673 -5.167 -11.927 1.00 0.00 O ATOM 356 C5' DA B 112 4.577 -5.051 -10.509 1.00 0.00 C ATOM 357 C4' DA B 112 3.179 -5.415 -9.998 1.00 0.00 C ATOM 358 O4' DA B 112 2.211 -4.451 -10.502 1.00 0.00 O ATOM 359 C3' DA B 112 2.719 -6.798 -10.475 1.00 0.00 C ATOM 360 O3' DA B 112 2.203 -7.542 -9.363 1.00 0.00 O ATOM 361 C2' DA B 112 1.649 -6.550 -11.497 1.00 0.00 C ATOM 362 C1' DA B 112 1.183 -5.127 -11.271 1.00 0.00 C ATOM 363 N9 DA B 112 0.901 -4.448 -12.557 1.00 0.00 N ATOM 364 C8 DA B 112 1.672 -4.348 -13.682 1.00 0.00 C ATOM 365 N7 DA B 112 1.138 -3.677 -14.657 1.00 0.00 N ATOM 366 C5 DA B 112 -0.099 -3.301 -14.139 1.00 0.00 C ATOM 367 C6 DA B 112 -1.164 -2.568 -14.669 1.00 0.00 C ATOM 368 N6 DA B 112 -1.151 -2.049 -15.897 1.00 0.00 N ATOM 369 N1 DA B 112 -2.239 -2.387 -13.884 1.00 0.00 N ATOM 370 C2 DA B 112 -2.264 -2.894 -12.651 1.00 0.00 C ATOM 371 N3 DA B 112 -1.311 -3.598 -12.056 1.00 0.00 N ATOM 372 C4 DA B 112 -0.249 -3.765 -12.863 1.00 0.00 C ATOM 0 H5' DA B 112 4.818 -4.030 -10.211 1.00 0.00 H new ATOM 0 H5'' DA B 112 5.315 -5.702 -10.041 1.00 0.00 H new ATOM 0 H4' DA B 112 3.237 -5.413 -8.910 1.00 0.00 H new ATOM 0 H3' DA B 112 3.536 -7.378 -10.904 1.00 0.00 H new ATOM 0 H2' DA B 112 2.037 -6.678 -12.508 1.00 0.00 H new ATOM 0 H2'' DA B 112 0.825 -7.254 -11.379 1.00 0.00 H new ATOM 0 H1' DA B 112 0.244 -5.109 -10.717 1.00 0.00 H new ATOM 0 H8 DA B 112 2.653 -4.794 -13.754 1.00 0.00 H new ATOM 0 H61 DA B 112 -1.955 -1.522 -16.236 1.00 0.00 H new ATOM 0 H62 DA B 112 -0.337 -2.179 -16.497 1.00 0.00 H new ATOM 0 H2 DA B 112 -3.158 -2.711 -12.074 1.00 0.00 H new ATOM 384 P DC B 113 1.638 -9.039 -9.540 1.00 0.00 P ATOM 385 OP1 DC B 113 1.972 -9.809 -8.321 1.00 0.00 O ATOM 386 OP2 DC B 113 2.066 -9.538 -10.868 1.00 0.00 O ATOM 387 O5' DC B 113 0.035 -8.823 -9.582 1.00 0.00 O ATOM 388 C5' DC B 113 -0.623 -8.223 -8.453 1.00 0.00 C ATOM 389 C4' DC B 113 -2.144 -8.085 -8.640 1.00 0.00 C ATOM 390 O4' DC B 113 -2.473 -7.063 -9.609 1.00 0.00 O ATOM 391 C3' DC B 113 -2.783 -9.399 -9.096 1.00 0.00 C ATOM 392 O3' DC B 113 -3.784 -9.807 -8.165 1.00 0.00 O ATOM 393 C2' DC B 113 -3.432 -9.095 -10.425 1.00 0.00 C ATOM 394 C1' DC B 113 -3.363 -7.590 -10.620 1.00 0.00 C ATOM 395 N1 DC B 113 -2.868 -7.215 -11.970 1.00 0.00 N ATOM 396 C2 DC B 113 -3.666 -6.400 -12.771 1.00 0.00 C ATOM 397 O2 DC B 113 -4.796 -6.088 -12.399 1.00 0.00 O ATOM 398 N3 DC B 113 -3.161 -5.964 -13.957 1.00 0.00 N ATOM 399 C4 DC B 113 -1.927 -6.305 -14.346 1.00 0.00 C ATOM 400 N4 DC B 113 -1.464 -5.853 -15.511 1.00 0.00 N ATOM 401 C5 DC B 113 -1.104 -7.146 -13.527 1.00 0.00 C ATOM 402 C6 DC B 113 -1.623 -7.580 -12.359 1.00 0.00 C ATOM 0 H5' DC B 113 -0.195 -7.237 -8.273 1.00 0.00 H new ATOM 0 H5'' DC B 113 -0.426 -8.823 -7.565 1.00 0.00 H new ATOM 0 H4' DC B 113 -2.540 -7.806 -7.664 1.00 0.00 H new ATOM 0 H3' DC B 113 -2.045 -10.198 -9.169 1.00 0.00 H new ATOM 0 H2' DC B 113 -2.916 -9.613 -11.233 1.00 0.00 H new ATOM 0 H2'' DC B 113 -4.467 -9.438 -10.436 1.00 0.00 H new ATOM 0 H1' DC B 113 -4.367 -7.174 -10.530 1.00 0.00 H new ATOM 0 H41 DC B 113 -0.525 -6.106 -15.819 1.00 0.00 H new ATOM 0 H42 DC B 113 -2.049 -5.255 -16.094 1.00 0.00 H new ATOM 0 H5 DC B 113 -0.106 -7.422 -13.833 1.00 0.00 H new ATOM 0 H6 DC B 113 -1.037 -8.228 -11.725 1.00 0.00 H new ATOM 414 P DA B 114 -4.595 -11.182 -8.369 1.00 0.00 P ATOM 415 OP1 DA B 114 -5.084 -11.628 -7.044 1.00 0.00 O ATOM 416 OP2 DA B 114 -3.763 -12.090 -9.188 1.00 0.00 O ATOM 417 O5' DA B 114 -5.872 -10.738 -9.250 1.00 0.00 O ATOM 418 C5' DA B 114 -6.798 -9.766 -8.760 1.00 0.00 C ATOM 419 C4' DA B 114 -7.932 -9.498 -9.761 1.00 0.00 C ATOM 420 O4' DA B 114 -7.429 -8.792 -10.933 1.00 0.00 O ATOM 421 C3' DA B 114 -8.573 -10.804 -10.249 1.00 0.00 C ATOM 422 O3' DA B 114 -9.999 -10.723 -10.148 1.00 0.00 O ATOM 423 C2' DA B 114 -8.161 -10.935 -11.694 1.00 0.00 C ATOM 424 C1' DA B 114 -7.688 -9.563 -12.135 1.00 0.00 C ATOM 425 N9 DA B 114 -6.493 -9.647 -12.998 1.00 0.00 N ATOM 426 C8 DA B 114 -5.313 -10.254 -12.743 1.00 0.00 C ATOM 427 N7 DA B 114 -4.399 -10.113 -13.658 1.00 0.00 N ATOM 428 C5 DA B 114 -5.041 -9.339 -14.621 1.00 0.00 C ATOM 429 C6 DA B 114 -4.631 -8.830 -15.860 1.00 0.00 C ATOM 430 N6 DA B 114 -3.409 -9.015 -16.362 1.00 0.00 N ATOM 431 N1 DA B 114 -5.523 -8.112 -16.558 1.00 0.00 N ATOM 432 C2 DA B 114 -6.746 -7.902 -16.074 1.00 0.00 C ATOM 433 N3 DA B 114 -7.236 -8.332 -14.912 1.00 0.00 N ATOM 434 C4 DA B 114 -6.320 -9.052 -14.231 1.00 0.00 C ATOM 0 H5' DA B 114 -6.271 -8.835 -8.551 1.00 0.00 H new ATOM 0 H5'' DA B 114 -7.221 -10.111 -7.816 1.00 0.00 H new ATOM 0 H4' DA B 114 -8.673 -8.895 -9.237 1.00 0.00 H new ATOM 0 H3' DA B 114 -8.255 -11.661 -9.655 1.00 0.00 H new ATOM 0 H2' DA B 114 -7.367 -11.673 -11.805 1.00 0.00 H new ATOM 0 H2'' DA B 114 -8.997 -11.272 -12.306 1.00 0.00 H new ATOM 0 H1' DA B 114 -8.453 -9.076 -12.740 1.00 0.00 H new ATOM 0 H8 DA B 114 -5.140 -10.819 -11.839 1.00 0.00 H new ATOM 0 H61 DA B 114 -3.166 -8.620 -17.271 1.00 0.00 H new ATOM 0 H62 DA B 114 -2.718 -9.551 -15.837 1.00 0.00 H new ATOM 0 H2 DA B 114 -7.414 -7.319 -16.691 1.00 0.00 H new ATOM 446 P DT B 115 -10.941 -11.954 -10.592 1.00 0.00 P ATOM 447 OP1 DT B 115 -12.223 -11.848 -9.861 1.00 0.00 O ATOM 448 OP2 DT B 115 -10.145 -13.200 -10.516 1.00 0.00 O ATOM 449 O5' DT B 115 -11.217 -11.626 -12.146 1.00 0.00 O ATOM 450 C5' DT B 115 -11.939 -10.441 -12.493 1.00 0.00 C ATOM 451 C4' DT B 115 -12.096 -10.268 -14.007 1.00 0.00 C ATOM 452 O4' DT B 115 -10.818 -9.943 -14.603 1.00 0.00 O ATOM 453 C3' DT B 115 -12.629 -11.536 -14.689 1.00 0.00 C ATOM 454 O3' DT B 115 -13.921 -11.312 -15.252 1.00 0.00 O ATOM 455 C2' DT B 115 -11.651 -11.839 -15.802 1.00 0.00 C ATOM 456 C1' DT B 115 -10.605 -10.724 -15.796 1.00 0.00 C ATOM 457 N1 DT B 115 -9.225 -11.289 -15.834 1.00 0.00 N ATOM 458 C2 DT B 115 -8.394 -10.935 -16.887 1.00 0.00 C ATOM 459 O2 DT B 115 -8.749 -10.153 -17.766 1.00 0.00 O ATOM 460 N3 DT B 115 -7.137 -11.514 -16.892 1.00 0.00 N ATOM 461 C4 DT B 115 -6.646 -12.403 -15.953 1.00 0.00 C ATOM 462 O4 DT B 115 -5.510 -12.860 -16.057 1.00 0.00 O ATOM 463 C5 DT B 115 -7.578 -12.713 -14.894 1.00 0.00 C ATOM 464 C7 DT B 115 -7.174 -13.717 -13.812 1.00 0.00 C ATOM 465 C6 DT B 115 -8.808 -12.156 -14.869 1.00 0.00 C ATOM 0 H5' DT B 115 -11.423 -9.573 -12.084 1.00 0.00 H new ATOM 0 H5'' DT B 115 -12.926 -10.473 -12.031 1.00 0.00 H new ATOM 0 H4' DT B 115 -12.816 -9.463 -14.156 1.00 0.00 H new ATOM 0 H3' DT B 115 -12.721 -12.353 -13.973 1.00 0.00 H new ATOM 0 H2' DT B 115 -11.180 -12.810 -15.648 1.00 0.00 H new ATOM 0 H2'' DT B 115 -12.163 -11.882 -16.763 1.00 0.00 H new ATOM 0 H1' DT B 115 -10.708 -10.096 -16.681 1.00 0.00 H new ATOM 0 H3 DT B 115 -6.515 -11.262 -17.660 1.00 0.00 H new ATOM 0 H71 DT B 115 -7.674 -13.465 -12.877 1.00 0.00 H new ATOM 0 H72 DT B 115 -7.466 -14.721 -14.120 1.00 0.00 H new ATOM 0 H73 DT B 115 -6.094 -13.681 -13.667 1.00 0.00 H new ATOM 0 H6 DT B 115 -9.480 -12.405 -14.061 1.00 0.00 H new ATOM 478 P DT B 116 -14.788 -12.549 -15.809 1.00 0.00 P ATOM 479 OP1 DT B 116 -16.215 -12.159 -15.791 1.00 0.00 O ATOM 480 OP2 DT B 116 -14.349 -13.775 -15.105 1.00 0.00 O ATOM 481 O5' DT B 116 -14.314 -12.654 -17.347 1.00 0.00 O ATOM 482 C5' DT B 116 -14.499 -11.547 -18.231 1.00 0.00 C ATOM 483 C4' DT B 116 -13.779 -11.750 -19.572 1.00 0.00 C ATOM 484 O4' DT B 116 -12.344 -11.747 -19.381 1.00 0.00 O ATOM 485 C3' DT B 116 -14.164 -13.072 -20.250 1.00 0.00 C ATOM 486 O3' DT B 116 -14.929 -12.826 -21.433 1.00 0.00 O ATOM 487 C2' DT B 116 -12.857 -13.753 -20.598 1.00 0.00 C ATOM 488 C1' DT B 116 -11.736 -12.865 -20.064 1.00 0.00 C ATOM 489 N1 DT B 116 -10.857 -13.628 -19.140 1.00 0.00 N ATOM 490 C2 DT B 116 -9.513 -13.755 -19.457 1.00 0.00 C ATOM 491 O2 DT B 116 -9.036 -13.271 -20.482 1.00 0.00 O ATOM 492 N3 DT B 116 -8.739 -14.457 -18.555 1.00 0.00 N ATOM 493 C4 DT B 116 -9.177 -15.038 -17.381 1.00 0.00 C ATOM 494 O4 DT B 116 -8.389 -15.636 -16.649 1.00 0.00 O ATOM 495 C5 DT B 116 -10.590 -14.858 -17.131 1.00 0.00 C ATOM 496 C7 DT B 116 -11.213 -15.462 -15.869 1.00 0.00 C ATOM 497 C6 DT B 116 -11.368 -14.171 -17.999 1.00 0.00 C ATOM 0 H5' DT B 116 -14.129 -10.639 -17.756 1.00 0.00 H new ATOM 0 H5'' DT B 116 -15.564 -11.402 -18.411 1.00 0.00 H new ATOM 0 H4' DT B 116 -14.088 -10.924 -20.212 1.00 0.00 H new ATOM 0 H3' DT B 116 -14.779 -13.692 -19.597 1.00 0.00 H new ATOM 0 H2' DT B 116 -12.809 -14.746 -20.151 1.00 0.00 H new ATOM 0 H2'' DT B 116 -12.765 -13.884 -21.676 1.00 0.00 H new ATOM 0 HO3' DT B 116 -15.165 -13.679 -21.854 1.00 0.00 H new ATOM 0 H1' DT B 116 -11.114 -12.511 -20.886 1.00 0.00 H new ATOM 0 H3 DT B 116 -7.748 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H new ATOM 542 P DA C 118 0.905 -10.893 -24.254 1.00 0.00 P ATOM 543 OP1 DA C 118 1.706 -10.595 -25.462 1.00 0.00 O ATOM 544 OP2 DA C 118 1.515 -10.725 -22.915 1.00 0.00 O ATOM 545 O5' DA C 118 -0.436 -9.989 -24.310 1.00 0.00 O ATOM 546 C5' DA C 118 -1.294 -10.044 -25.456 1.00 0.00 C ATOM 547 C4' DA C 118 -2.520 -9.120 -25.337 1.00 0.00 C ATOM 548 O4' DA C 118 -3.437 -9.624 -24.328 1.00 0.00 O ATOM 549 C3' DA C 118 -2.143 -7.689 -24.930 1.00 0.00 C ATOM 550 O3' DA C 118 -2.796 -6.747 -25.791 1.00 0.00 O ATOM 551 C2' DA C 118 -2.645 -7.509 -23.523 1.00 0.00 C ATOM 552 C1' DA C 118 -3.579 -8.672 -23.241 1.00 0.00 C ATOM 553 N9 DA C 118 -3.271 -9.298 -21.949 1.00 0.00 N ATOM 554 C8 DA C 118 -2.078 -9.753 -21.505 1.00 0.00 C ATOM 555 N7 DA C 118 -2.094 -10.317 -20.337 1.00 0.00 N ATOM 556 C5 DA C 118 -3.434 -10.221 -19.966 1.00 0.00 C ATOM 557 C6 DA C 118 -4.130 -10.630 -18.824 1.00 0.00 C ATOM 558 N6 DA C 118 -3.548 -11.265 -17.808 1.00 0.00 N ATOM 559 N1 DA C 118 -5.448 -10.372 -18.777 1.00 0.00 N ATOM 560 C2 DA C 118 -6.051 -9.751 -19.791 1.00 0.00 C ATOM 561 N3 DA C 118 -5.484 -9.325 -20.921 1.00 0.00 N ATOM 562 C4 DA C 118 -4.160 -9.597 -20.939 1.00 0.00 C ATOM 0 H5' DA C 118 -1.632 -11.070 -25.600 1.00 0.00 H new ATOM 0 H5'' DA C 118 -0.724 -9.769 -26.343 1.00 0.00 H new ATOM 0 H4' DA C 118 -2.980 -9.104 -26.325 1.00 0.00 H new ATOM 0 H3' DA C 118 -1.067 -7.527 -25.002 1.00 0.00 H new ATOM 0 H2' DA C 118 -1.816 -7.498 -22.815 1.00 0.00 H new ATOM 0 H2'' DA C 118 -3.168 -6.558 -23.417 1.00 0.00 H new ATOM 0 H1' DA C 118 -4.609 -8.320 -23.180 1.00 0.00 H new ATOM 0 H8 DA C 118 -1.172 -9.654 -22.084 1.00 0.00 H new ATOM 0 H61 DA C 118 -4.100 -11.543 -16.997 1.00 0.00 H new ATOM 0 H62 DA C 118 -2.550 -11.474 -17.841 1.00 0.00 H new ATOM 0 H2 DA C 118 -7.111 -9.574 -19.687 1.00 0.00 H new ATOM 574 P DT C 119 -2.589 -5.157 -25.606 1.00 0.00 P ATOM 575 OP1 DT C 119 -2.840 -4.501 -26.909 1.00 0.00 O ATOM 576 OP2 DT C 119 -1.308 -4.933 -24.898 1.00 0.00 O ATOM 577 O5' DT 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1.00 0.00 H new ATOM 0 H3 DT C 121 -4.320 -2.441 -14.203 1.00 0.00 H new ATOM 0 H71 DT C 121 -6.623 0.889 -17.758 1.00 0.00 H new ATOM 0 H72 DT C 121 -5.493 1.775 -16.707 1.00 0.00 H new ATOM 0 H73 DT C 121 -4.885 0.509 -17.800 1.00 0.00 H new ATOM 0 H6 DT C 121 -7.974 0.154 -15.931 1.00 0.00 H new ATOM 671 P DT C 122 -11.543 0.712 -11.303 1.00 0.00 P ATOM 672 OP1 DT C 122 -12.801 0.563 -10.537 1.00 0.00 O ATOM 673 OP2 DT C 122 -11.194 2.021 -11.898 1.00 0.00 O ATOM 674 O5' DT C 122 -10.325 0.243 -10.362 1.00 0.00 O ATOM 675 C5' DT C 122 -10.346 -1.048 -9.752 1.00 0.00 C ATOM 676 C4' DT C 122 -9.099 -1.302 -8.899 1.00 0.00 C ATOM 677 O4' DT C 122 -7.936 -1.444 -9.753 1.00 0.00 O ATOM 678 C3' DT C 122 -8.829 -0.151 -7.914 1.00 0.00 C ATOM 679 O3' DT C 122 -8.896 -0.612 -6.563 1.00 0.00 O ATOM 680 C2' DT C 122 -7.431 0.326 -8.226 1.00 0.00 C ATOM 681 C1' DT C 122 -6.852 -0.624 -9.268 1.00 0.00 C ATOM 682 N1 DT C 122 -6.202 0.138 -10.380 1.00 0.00 N ATOM 683 C2 DT C 122 -4.849 -0.083 -10.618 1.00 0.00 C ATOM 684 O2 DT C 122 -4.194 -0.884 -9.955 1.00 0.00 O ATOM 685 N3 DT C 122 -4.280 0.648 -11.643 1.00 0.00 N ATOM 686 C4 DT C 122 -4.928 1.569 -12.446 1.00 0.00 C ATOM 687 O4 DT C 122 -4.322 2.156 -13.341 1.00 0.00 O ATOM 688 C5 DT C 122 -6.329 1.743 -12.133 1.00 0.00 C ATOM 689 C7 DT C 122 -7.145 2.768 -12.934 1.00 0.00 C ATOM 690 C6 DT C 122 -6.913 1.038 -11.133 1.00 0.00 C ATOM 0 H5' DT C 122 -10.418 -1.813 -10.525 1.00 0.00 H new ATOM 0 H5'' DT C 122 -11.236 -1.140 -9.129 1.00 0.00 H new ATOM 0 H4' DT C 122 -9.282 -2.215 -8.333 1.00 0.00 H new ATOM 0 H3' DT C 122 -9.569 0.643 -8.018 1.00 0.00 H new ATOM 0 H2' DT C 122 -7.449 1.348 -8.605 1.00 0.00 H new ATOM 0 H2'' DT C 122 -6.816 0.331 -7.326 1.00 0.00 H new ATOM 0 H1' DT C 122 -6.077 -1.252 -8.828 1.00 0.00 H new ATOM 0 H3 DT C 122 -3.288 0.494 -11.825 1.00 0.00 H new ATOM 0 H71 DT C 122 -8.184 2.442 -12.990 1.00 0.00 H new ATOM 0 H72 DT C 122 -7.095 3.739 -12.440 1.00 0.00 H new ATOM 0 H73 DT C 122 -6.736 2.852 -13.941 1.00 0.00 H new ATOM 0 H6 DT C 122 -7.962 1.188 -10.924 1.00 0.00 H new ATOM 703 P DT C 123 -8.684 0.381 -5.307 1.00 0.00 P ATOM 704 OP1 DT C 123 -9.494 -0.127 -4.177 1.00 0.00 O ATOM 705 OP2 DT C 123 -8.872 1.768 -5.780 1.00 0.00 O ATOM 706 O5' DT C 123 -7.130 0.210 -4.924 1.00 0.00 O ATOM 707 C5' DT C 123 -6.624 -1.067 -4.542 1.00 0.00 C ATOM 708 C4' DT C 123 -5.130 -1.023 -4.217 1.00 0.00 C ATOM 709 O4' DT C 123 -4.362 -0.729 -5.415 1.00 0.00 O ATOM 710 C3' DT C 123 -4.783 0.058 -3.184 1.00 0.00 C ATOM 711 O3' DT C 123 -4.011 -0.538 -2.131 1.00 0.00 O ATOM 712 C2' DT C 123 -3.985 1.096 -3.915 1.00 0.00 C ATOM 713 C1' DT C 123 -3.528 0.437 -5.203 1.00 0.00 C ATOM 714 N1 DT C 123 -3.585 1.369 -6.375 1.00 0.00 N ATOM 715 C2 DT C 123 -2.424 1.543 -7.121 1.00 0.00 C ATOM 716 O2 DT C 123 -1.373 0.971 -6.834 1.00 0.00 O ATOM 717 N3 DT C 123 -2.513 2.396 -8.203 1.00 0.00 N ATOM 718 C4 DT C 123 -3.639 3.086 -8.606 1.00 0.00 C ATOM 719 O4 DT C 123 -3.602 3.822 -9.589 1.00 0.00 O ATOM 720 C5 DT C 123 -4.801 2.851 -7.781 1.00 0.00 C ATOM 721 C7 DT C 123 -6.107 3.569 -8.131 1.00 0.00 C ATOM 722 C6 DT C 123 -4.745 2.019 -6.715 1.00 0.00 C ATOM 0 H5' DT C 123 -6.798 -1.781 -5.347 1.00 0.00 H new ATOM 0 H5'' DT C 123 -7.173 -1.428 -3.672 1.00 0.00 H new ATOM 0 H4' DT C 123 -4.882 -2.003 -3.811 1.00 0.00 H new ATOM 0 H3' DT C 123 -5.669 0.507 -2.736 1.00 0.00 H new ATOM 0 H2' DT C 123 -4.589 1.980 -4.121 1.00 0.00 H new ATOM 0 H2'' DT C 123 -3.133 1.424 -3.320 1.00 0.00 H new ATOM 0 H1' DT C 123 -2.481 0.149 -5.112 1.00 0.00 H new ATOM 0 H3 DT C 123 -1.667 2.529 -8.757 1.00 0.00 H new ATOM 0 H71 DT C 123 -5.881 4.526 -8.602 1.00 0.00 H new ATOM 0 H72 DT C 123 -6.688 2.954 -8.818 1.00 0.00 H new ATOM 0 H73 DT C 123 -6.683 3.740 -7.222 1.00 0.00 H new ATOM 0 H6 DT C 123 -5.632 1.863 -6.119 1.00 0.00 H new ATOM 735 P DA C 124 -3.418 0.312 -0.894 1.00 0.00 P ATOM 736 OP1 DA C 124 -3.596 -0.479 0.344 1.00 0.00 O ATOM 737 OP2 DA C 124 -3.962 1.687 -0.975 1.00 0.00 O ATOM 738 O5' DA C 124 -1.832 0.379 -1.225 1.00 0.00 O ATOM 739 C5' DA C 124 -1.111 -0.857 -1.329 1.00 0.00 C ATOM 740 C4' DA C 124 0.396 -0.698 -1.629 1.00 0.00 C ATOM 741 O4' DA C 124 0.595 -0.035 -2.901 1.00 0.00 O ATOM 742 C3' DA C 124 1.096 0.142 -0.553 1.00 0.00 C ATOM 743 O3' DA C 124 2.348 -0.437 -0.170 1.00 0.00 O ATOM 744 C2' DA C 124 1.351 1.478 -1.203 1.00 0.00 C ATOM 745 C1' DA C 124 1.161 1.281 -2.697 1.00 0.00 C ATOM 746 N9 DA C 124 0.286 2.309 -3.259 1.00 0.00 N ATOM 747 C8 DA C 124 -0.963 2.631 -2.876 1.00 0.00 C ATOM 748 N7 DA C 124 -1.544 3.553 -3.577 1.00 0.00 N ATOM 749 C5 DA C 124 -0.579 3.874 -4.522 1.00 0.00 C ATOM 750 C6 DA C 124 -0.562 4.788 -5.571 1.00 0.00 C ATOM 751 N6 DA C 124 -1.599 5.570 -5.855 1.00 0.00 N ATOM 752 N1 DA C 124 0.555 4.859 -6.316 1.00 0.00 N ATOM 753 C2 DA C 124 1.596 4.070 -6.039 1.00 0.00 C ATOM 754 N3 DA C 124 1.681 3.166 -5.064 1.00 0.00 N ATOM 755 C4 DA C 124 0.545 3.124 -4.338 1.00 0.00 C ATOM 0 H5' DA C 124 -1.563 -1.461 -2.116 1.00 0.00 H new ATOM 0 H5'' DA C 124 -1.226 -1.410 -0.397 1.00 0.00 H new ATOM 0 H4' DA C 124 0.821 -1.702 -1.648 1.00 0.00 H new ATOM 0 H3' DA C 124 0.485 0.210 0.347 1.00 0.00 H new ATOM 0 H2' DA C 124 0.662 2.232 -0.821 1.00 0.00 H new ATOM 0 H2'' DA C 124 2.360 1.828 -0.984 1.00 0.00 H new ATOM 0 H1' DA C 124 2.121 1.366 -3.206 1.00 0.00 H new ATOM 0 H8 DA C 124 -1.449 2.152 -2.039 1.00 0.00 H new ATOM 0 H61 DA C 124 -1.544 6.227 -6.633 1.00 0.00 H new ATOM 0 H62 DA C 124 -2.449 5.513 -5.294 1.00 0.00 H new ATOM 0 H2 DA C 124 2.463 4.176 -6.674 1.00 0.00 H new ATOM 767 P DT C 125 3.260 0.280 0.955 1.00 0.00 P ATOM 768 OP1 DT C 125 4.125 -0.752 1.570 1.00 0.00 O ATOM 769 OP2 DT C 125 2.372 1.099 1.810 1.00 0.00 O ATOM 770 O5' DT C 125 4.199 1.281 0.103 1.00 0.00 O ATOM 771 C5' DT C 125 5.077 0.761 -0.897 1.00 0.00 C ATOM 772 C4' DT C 125 5.761 1.859 -1.726 1.00 0.00 C ATOM 773 O4' DT C 125 4.796 2.515 -2.587 1.00 0.00 O ATOM 774 C3' DT C 125 6.415 2.953 -0.862 1.00 0.00 C ATOM 775 O3' DT C 125 7.781 3.138 -1.270 1.00 0.00 O ATOM 776 C2' DT C 125 5.616 4.203 -1.135 1.00 0.00 C ATOM 777 C1' DT C 125 4.944 3.948 -2.476 1.00 0.00 C ATOM 778 N1 DT C 125 3.631 4.658 -2.647 1.00 0.00 N ATOM 779 C2 DT C 125 3.454 5.403 -3.811 1.00 0.00 C ATOM 780 O2 DT C 125 4.334 5.495 -4.665 1.00 0.00 O ATOM 781 N3 DT C 125 2.230 6.029 -3.962 1.00 0.00 N ATOM 782 C4 DT C 125 1.177 5.980 -3.068 1.00 0.00 C ATOM 783 O4 DT C 125 0.105 6.517 -3.327 1.00 0.00 O ATOM 784 C5 DT C 125 1.446 5.201 -1.886 1.00 0.00 C ATOM 785 C7 DT C 125 0.387 5.138 -0.789 1.00 0.00 C ATOM 786 C6 DT C 125 2.629 4.572 -1.712 1.00 0.00 C ATOM 0 H5' DT C 125 4.513 0.108 -1.564 1.00 0.00 H new ATOM 0 H5'' DT C 125 5.840 0.146 -0.419 1.00 0.00 H new ATOM 0 H4' DT C 125 6.537 1.352 -2.299 1.00 0.00 H new ATOM 0 H3' DT C 125 6.419 2.698 0.198 1.00 0.00 H new ATOM 0 H2' DT C 125 4.880 4.381 -0.351 1.00 0.00 H new ATOM 0 H2'' DT C 125 6.259 5.083 -1.175 1.00 0.00 H new ATOM 0 H1' DT C 125 5.563 4.355 -3.276 1.00 0.00 H new ATOM 0 H3 DT C 125 2.092 6.577 -4.811 1.00 0.00 H new ATOM 0 H71 DT C 125 0.456 4.181 -0.271 1.00 0.00 H new ATOM 0 H72 DT C 125 0.551 5.948 -0.078 1.00 0.00 H new ATOM 0 H73 DT C 125 -0.603 5.239 -1.233 1.00 0.00 H new ATOM 0 H6 DT C 125 2.790 3.989 -0.818 1.00 0.00 H new ATOM 799 P DC C 126 8.744 4.218 -0.556 1.00 0.00 P ATOM 800 OP1 DC C 126 10.116 3.663 -0.537 1.00 0.00 O ATOM 801 OP2 DC C 126 8.107 4.638 0.712 1.00 0.00 O ATOM 802 O5' DC C 126 8.731 5.484 -1.571 1.00 0.00 O ATOM 803 C5' DC C 126 9.202 5.313 -2.919 1.00 0.00 C ATOM 804 C4' DC C 126 9.132 6.598 -3.769 1.00 0.00 C ATOM 805 O4' DC C 126 7.759 6.938 -4.093 1.00 0.00 O ATOM 806 C3' DC C 126 9.770 7.799 -3.054 1.00 0.00 C ATOM 807 O3' DC C 126 10.897 8.289 -3.777 1.00 0.00 O ATOM 808 C2' DC C 126 8.704 8.871 -3.020 1.00 0.00 C ATOM 809 C1' DC C 126 7.477 8.308 -3.726 1.00 0.00 C ATOM 810 N1 DC C 126 6.289 8.371 -2.837 1.00 0.00 N ATOM 811 C2 DC C 126 5.179 9.106 -3.253 1.00 0.00 C ATOM 812 O2 DC C 126 5.212 9.734 -4.310 1.00 0.00 O ATOM 813 N3 DC C 126 4.082 9.119 -2.453 1.00 0.00 N ATOM 814 C4 DC C 126 4.065 8.447 -1.297 1.00 0.00 C ATOM 815 N4 DC C 126 2.973 8.490 -0.541 1.00 0.00 N ATOM 816 C5 DC C 126 5.199 7.692 -0.865 1.00 0.00 C ATOM 817 C6 DC C 126 6.282 7.684 -1.662 1.00 0.00 C ATOM 0 H5' DC C 126 8.613 4.535 -3.404 1.00 0.00 H new ATOM 0 H5'' DC C 126 10.234 4.962 -2.892 1.00 0.00 H new ATOM 0 H4' DC C 126 9.690 6.388 -4.681 1.00 0.00 H new ATOM 0 H3' DC C 126 10.115 7.515 -2.060 1.00 0.00 H new ATOM 0 H2' DC C 126 8.465 9.144 -1.992 1.00 0.00 H new ATOM 0 H2'' DC C 126 9.053 9.776 -3.517 1.00 0.00 H new ATOM 0 H1' DC C 126 7.256 8.898 -4.616 1.00 0.00 H new ATOM 0 H41 DC C 126 2.945 7.983 0.343 1.00 0.00 H new ATOM 0 H42 DC C 126 2.163 9.030 -0.845 1.00 0.00 H new ATOM 0 H5 DC C 126 5.187 7.148 0.068 1.00 0.00 H new ATOM 0 H6 DC C 126 7.158 7.125 -1.366 1.00 0.00 H new ATOM 829 P DT C 127 11.870 9.383 -3.109 1.00 0.00 P ATOM 830 OP1 DT C 127 13.151 9.383 -3.852 1.00 0.00 O ATOM 831 OP2 DT C 127 11.868 9.171 -1.643 1.00 0.00 O ATOM 832 O5' DT C 127 11.103 10.765 -3.417 1.00 0.00 O ATOM 833 C5' DT C 127 10.951 11.225 -4.761 1.00 0.00 C ATOM 834 C4' DT C 127 10.143 12.526 -4.832 1.00 0.00 C ATOM 835 O4' DT C 127 8.753 12.276 -4.514 1.00 0.00 O ATOM 836 C3' DT C 127 10.672 13.586 -3.854 1.00 0.00 C ATOM 837 O3' DT C 127 11.211 14.701 -4.563 1.00 0.00 O ATOM 838 C2' DT C 127 9.471 14.022 -3.038 1.00 0.00 C ATOM 839 C1' DT C 127 8.260 13.278 -3.598 1.00 0.00 C ATOM 840 N1 DT C 127 7.452 12.660 -2.503 1.00 0.00 N ATOM 841 C2 DT C 127 6.122 13.050 -2.369 1.00 0.00 C ATOM 842 O2 DT C 127 5.602 13.866 -3.126 1.00 0.00 O ATOM 843 N3 DT C 127 5.415 12.467 -1.333 1.00 0.00 N ATOM 844 C4 DT C 127 5.905 11.544 -0.429 1.00 0.00 C ATOM 845 O4 DT C 127 5.182 11.089 0.456 1.00 0.00 O ATOM 846 C5 DT C 127 7.292 11.192 -0.636 1.00 0.00 C ATOM 847 C7 DT C 127 7.950 10.192 0.323 1.00 0.00 C ATOM 848 C6 DT C 127 8.009 11.744 -1.645 1.00 0.00 C ATOM 0 H5' DT C 127 10.455 10.457 -5.354 1.00 0.00 H new ATOM 0 H5'' DT C 127 11.934 11.384 -5.204 1.00 0.00 H new ATOM 0 H4' DT C 127 10.243 12.900 -5.851 1.00 0.00 H new ATOM 0 H3' DT C 127 11.470 13.187 -3.228 1.00 0.00 H new ATOM 0 H2' DT C 127 9.615 13.787 -1.983 1.00 0.00 H new ATOM 0 H2'' DT C 127 9.328 15.100 -3.108 1.00 0.00 H new ATOM 0 H1' DT C 127 7.597 13.970 -4.117 1.00 0.00 H new ATOM 0 H3 DT C 127 4.439 12.745 -1.226 1.00 0.00 H new ATOM 0 H71 DT C 127 7.486 10.271 1.306 1.00 0.00 H new ATOM 0 H72 DT C 127 7.818 9.180 -0.060 1.00 0.00 H new ATOM 0 H73 DT C 127 9.014 10.413 0.406 1.00 0.00 H new ATOM 0 H6 DT C 127 9.042 11.457 -1.777 1.00 0.00 H new ATOM 861 P DG C 128 11.870 15.936 -3.770 1.00 0.00 P ATOM 862 OP1 DG C 128 12.826 16.612 -4.676 1.00 0.00 O ATOM 863 OP2 DG C 128 12.324 15.449 -2.449 1.00 0.00 O ATOM 864 O5' DG C 128 10.620 16.919 -3.540 1.00 0.00 O ATOM 865 C5' DG C 128 9.906 17.438 -4.662 1.00 0.00 C ATOM 866 C4' DG C 128 8.755 18.349 -4.233 1.00 0.00 C ATOM 867 O4' DG C 128 7.726 17.576 -3.572 1.00 0.00 O ATOM 868 C3' DG C 128 9.229 19.444 -3.270 1.00 0.00 C ATOM 869 O3' DG C 128 9.023 20.725 -3.874 1.00 0.00 O ATOM 870 C2' DG C 128 8.385 19.282 -2.018 1.00 0.00 C ATOM 871 C1' DG C 128 7.397 18.149 -2.289 1.00 0.00 C ATOM 872 N9 DG C 128 7.460 17.122 -1.233 1.00 0.00 N ATOM 873 C8 DG C 128 8.537 16.415 -0.813 1.00 0.00 C ATOM 874 N7 DG C 128 8.303 15.547 0.125 1.00 0.00 N ATOM 875 C5 DG C 128 6.937 15.692 0.356 1.00 0.00 C ATOM 876 C6 DG C 128 6.093 15.010 1.272 1.00 0.00 C ATOM 877 O6 DG C 128 6.393 14.123 2.068 1.00 0.00 O ATOM 878 N1 DG C 128 4.781 15.457 1.187 1.00 0.00 N ATOM 879 C2 DG C 128 4.332 16.438 0.327 1.00 0.00 C ATOM 880 N2 DG C 128 3.035 16.737 0.403 1.00 0.00 N ATOM 881 N3 DG C 128 5.124 17.081 -0.540 1.00 0.00 N ATOM 882 C4 DG C 128 6.409 16.658 -0.470 1.00 0.00 C ATOM 0 H5' DG C 128 9.514 16.613 -5.256 1.00 0.00 H new ATOM 0 H5'' DG C 128 10.590 17.995 -5.302 1.00 0.00 H new ATOM 0 H4' DG C 128 8.361 18.816 -5.136 1.00 0.00 H new ATOM 0 H3' DG C 128 10.290 19.366 -3.033 1.00 0.00 H new ATOM 0 H2' DG C 128 9.012 19.049 -1.158 1.00 0.00 H new ATOM 0 H2'' DG C 128 7.857 20.207 -1.786 1.00 0.00 H new ATOM 0 H1' DG C 128 6.379 18.539 -2.294 1.00 0.00 H new ATOM 0 H8 DG C 128 9.522 16.563 -1.229 1.00 0.00 H new ATOM 0 H1 DG C 128 4.096 15.027 1.809 1.00 0.00 H new ATOM 0 H21 DG C 128 2.640 17.454 -0.206 1.00 0.00 H new ATOM 0 H22 DG C 128 2.437 16.249 1.070 1.00 0.00 H new ATOM 894 P DC C 129 9.657 22.069 -3.256 1.00 0.00 P ATOM 895 OP1 DC C 129 9.788 23.057 -4.350 1.00 0.00 O ATOM 896 OP2 DC C 129 10.849 21.689 -2.465 1.00 0.00 O ATOM 897 O5' DC C 129 8.529 22.597 -2.240 1.00 0.00 O ATOM 898 C5' DC C 129 7.228 22.921 -2.731 1.00 0.00 C ATOM 899 C4' DC C 129 6.297 23.404 -1.616 1.00 0.00 C ATOM 900 O4' DC C 129 6.002 22.327 -0.693 1.00 0.00 O ATOM 901 C3' DC C 129 6.922 24.551 -0.811 1.00 0.00 C ATOM 902 O3' DC C 129 6.045 25.681 -0.807 1.00 0.00 O ATOM 903 C2' DC C 129 7.101 24.027 0.589 1.00 0.00 C ATOM 904 C1' DC C 129 6.390 22.686 0.655 1.00 0.00 C ATOM 905 N1 DC C 129 7.264 21.633 1.248 1.00 0.00 N ATOM 906 C2 DC C 129 6.826 20.997 2.408 1.00 0.00 C ATOM 907 O2 DC C 129 5.756 21.322 2.917 1.00 0.00 O ATOM 908 N3 DC C 129 7.604 20.020 2.947 1.00 0.00 N ATOM 909 C4 DC C 129 8.765 19.674 2.381 1.00 0.00 C ATOM 910 N4 DC C 129 9.500 18.709 2.939 1.00 0.00 N ATOM 911 C5 DC C 129 9.226 20.322 1.190 1.00 0.00 C ATOM 912 C6 DC C 129 8.449 21.290 0.660 1.00 0.00 C ATOM 0 H5' DC C 129 6.793 22.044 -3.212 1.00 0.00 H new ATOM 0 H5'' DC C 129 7.311 23.695 -3.494 1.00 0.00 H new ATOM 0 H4' DC C 129 5.386 23.753 -2.102 1.00 0.00 H new ATOM 0 H3' DC C 129 7.871 24.873 -1.240 1.00 0.00 H new ATOM 0 H2' DC C 129 8.159 23.915 0.827 1.00 0.00 H new ATOM 0 H2'' DC C 129 6.683 24.722 1.317 1.00 0.00 H new ATOM 0 H1' DC C 129 5.514 22.766 1.298 1.00 0.00 H new ATOM 0 H41 DC C 129 10.388 18.436 2.517 1.00 0.00 H new ATOM 0 H42 DC C 129 9.174 18.245 3.787 1.00 0.00 H new ATOM 0 H5 DC C 129 10.164 20.045 0.731 1.00 0.00 H new ATOM 0 H6 DC C 129 8.767 21.799 -0.238 1.00 0.00 H new ATOM 924 P DA C 130 6.437 27.044 -0.037 1.00 0.00 P ATOM 925 OP1 DA C 130 5.708 28.160 -0.675 1.00 0.00 O ATOM 926 OP2 DA C 130 7.913 27.098 0.075 1.00 0.00 O ATOM 927 O5' DA C 130 5.833 26.828 1.446 1.00 0.00 O ATOM 928 C5' DA C 130 4.426 26.618 1.626 1.00 0.00 C ATOM 929 C4' DA C 130 4.039 26.433 3.101 1.00 0.00 C ATOM 930 O4' DA C 130 4.528 25.161 3.604 1.00 0.00 O ATOM 931 C3' DA C 130 4.620 27.539 3.995 1.00 0.00 C ATOM 932 O3' DA C 130 3.592 28.090 4.833 1.00 0.00 O ATOM 933 C2' DA C 130 5.660 26.864 4.846 1.00 0.00 C ATOM 934 C1' DA C 130 5.382 25.376 4.752 1.00 0.00 C ATOM 935 N9 DA C 130 6.626 24.600 4.653 1.00 0.00 N ATOM 936 C8 DA C 130 7.662 24.761 3.798 1.00 0.00 C ATOM 937 N7 DA C 130 8.634 23.913 3.938 1.00 0.00 N ATOM 938 C5 DA C 130 8.197 23.113 4.990 1.00 0.00 C ATOM 939 C6 DA C 130 8.763 22.018 5.642 1.00 0.00 C ATOM 940 N6 DA C 130 9.952 21.517 5.318 1.00 0.00 N ATOM 941 N1 DA C 130 8.060 21.463 6.646 1.00 0.00 N ATOM 942 C2 DA C 130 6.868 21.960 6.985 1.00 0.00 C ATOM 943 N3 DA C 130 6.245 22.992 6.430 1.00 0.00 N ATOM 944 C4 DA C 130 6.974 23.524 5.430 1.00 0.00 C ATOM 0 H5' DA C 130 4.119 25.738 1.061 1.00 0.00 H new ATOM 0 H5'' DA C 130 3.880 27.467 1.215 1.00 0.00 H new ATOM 0 H4' DA C 130 2.950 26.473 3.137 1.00 0.00 H new ATOM 0 H3' DA C 130 5.038 28.355 3.405 1.00 0.00 H new ATOM 0 H2' DA C 130 6.664 27.096 4.491 1.00 0.00 H new ATOM 0 H2'' DA C 130 5.600 27.207 5.879 1.00 0.00 H new ATOM 0 H1' DA C 130 4.884 25.031 5.658 1.00 0.00 H new ATOM 0 H8 DA C 130 7.679 25.541 3.051 1.00 0.00 H new ATOM 0 H61 DA C 130 10.323 20.714 5.826 1.00 0.00 H new ATOM 0 H62 DA C 130 10.493 21.936 4.562 1.00 0.00 H new ATOM 0 H2 DA C 130 6.355 21.469 7.799 1.00 0.00 H new ATOM 956 P DA C 131 3.912 29.273 5.878 1.00 0.00 P ATOM 957 OP1 DA C 131 2.718 30.144 5.961 1.00 0.00 O ATOM 958 OP2 DA C 131 5.227 29.862 5.527 1.00 0.00 O ATOM 959 O5' DA C 131 4.072 28.494 7.288 1.00 0.00 O ATOM 960 C5' DA C 131 2.979 27.729 7.815 1.00 0.00 C ATOM 961 C4' DA C 131 3.309 27.061 9.165 1.00 0.00 C ATOM 962 O4' DA C 131 4.258 25.977 9.001 1.00 0.00 O ATOM 963 C3' DA C 131 3.903 28.061 10.167 1.00 0.00 C ATOM 964 O3' DA C 131 3.123 28.097 11.366 1.00 0.00 O ATOM 965 C2' DA C 131 5.280 27.539 10.497 1.00 0.00 C ATOM 966 C1' DA C 131 5.388 26.152 9.888 1.00 0.00 C ATOM 967 N9 DA C 131 6.652 25.989 9.160 1.00 0.00 N ATOM 968 C8 DA C 131 7.127 26.737 8.144 1.00 0.00 C ATOM 969 N7 DA C 131 8.264 26.350 7.649 1.00 0.00 N ATOM 970 C5 DA C 131 8.573 25.231 8.419 1.00 0.00 C ATOM 971 C6 DA C 131 9.655 24.345 8.410 1.00 0.00 C ATOM 972 N6 DA C 131 10.673 24.448 7.556 1.00 0.00 N ATOM 973 N1 DA C 131 9.645 23.347 9.311 1.00 0.00 N ATOM 974 C2 DA C 131 8.632 23.228 10.171 1.00 0.00 C ATOM 975 N3 DA C 131 7.559 24.012 10.262 1.00 0.00 N ATOM 976 C4 DA C 131 7.597 25.002 9.346 1.00 0.00 C ATOM 0 H5' DA C 131 2.699 26.961 7.094 1.00 0.00 H new ATOM 0 H5'' DA C 131 2.113 28.380 7.939 1.00 0.00 H new ATOM 0 H4' DA C 131 2.364 26.676 9.549 1.00 0.00 H new ATOM 0 H3' DA C 131 3.923 29.067 9.749 1.00 0.00 H new ATOM 0 H2' DA C 131 6.049 28.198 10.094 1.00 0.00 H new ATOM 0 H2'' DA C 131 5.429 27.499 11.576 1.00 0.00 H new ATOM 0 H1' DA C 131 5.378 25.396 10.673 1.00 0.00 H new ATOM 0 H8 DA C 131 6.598 27.600 7.767 1.00 0.00 H new ATOM 0 H61 DA C 131 11.439 23.775 7.591 1.00 0.00 H new ATOM 0 H62 DA C 131 10.687 25.200 6.867 1.00 0.00 H new ATOM 0 H2 DA C 131 8.688 22.406 10.870 1.00 0.00 H new ATOM 988 P DC C 132 3.510 29.107 12.559 1.00 0.00 P ATOM 989 OP1 DC C 132 2.294 29.342 13.369 1.00 0.00 O ATOM 990 OP2 DC C 132 4.240 30.255 11.976 1.00 0.00 O ATOM 991 O5' DC C 132 4.546 28.242 13.446 1.00 0.00 O ATOM 992 C5' DC C 132 4.173 26.961 13.958 1.00 0.00 C ATOM 993 C4' DC C 132 5.357 26.219 14.599 1.00 0.00 C ATOM 994 O4' DC C 132 6.303 25.775 13.598 1.00 0.00 O ATOM 995 C3' DC C 132 6.118 27.093 15.605 1.00 0.00 C ATOM 996 O3' DC C 132 5.904 26.631 16.941 1.00 0.00 O ATOM 997 C2' DC C 132 7.583 26.951 15.234 1.00 0.00 C ATOM 998 C1' DC C 132 7.651 25.968 14.079 1.00 0.00 C ATOM 999 N1 DC C 132 8.545 26.466 12.999 1.00 0.00 N ATOM 1000 C2 DC C 132 9.709 25.754 12.715 1.00 0.00 C ATOM 1001 O2 DC C 132 9.981 24.742 13.357 1.00 0.00 O ATOM 1002 N3 DC C 132 10.522 26.209 11.722 1.00 0.00 N ATOM 1003 C4 DC C 132 10.211 27.314 11.031 1.00 0.00 C ATOM 1004 N4 DC C 132 11.022 27.728 10.057 1.00 0.00 N ATOM 1005 C5 DC C 132 9.018 28.047 11.320 1.00 0.00 C ATOM 1006 C6 DC C 132 8.222 27.586 12.306 1.00 0.00 C ATOM 0 H5' DC C 132 3.762 26.355 13.150 1.00 0.00 H new ATOM 0 H5'' DC C 132 3.382 27.085 14.697 1.00 0.00 H new ATOM 0 H4' DC C 132 4.922 25.365 15.118 1.00 0.00 H new ATOM 0 H3' DC C 132 5.782 28.129 15.569 1.00 0.00 H new ATOM 0 H2' DC C 132 8.004 27.915 14.947 1.00 0.00 H new ATOM 0 H2'' DC C 132 8.163 26.590 16.083 1.00 0.00 H new ATOM 0 HO3' DC C 132 6.399 27.200 17.567 1.00 0.00 H new ATOM 0 H1' DC C 132 8.073 25.020 14.412 1.00 0.00 H new ATOM 0 H41 DC C 132 10.793 28.568 9.526 1.00 0.00 H new ATOM 0 H42 DC C 132 11.871 27.205 9.843 1.00 0.00 H new ATOM 0 H5 DC C 132 8.763 28.939 10.768 1.00 0.00 H new ATOM 0 H6 DC C 132 7.313 28.117 12.548 1.00 0.00 H new TER 1019 DC C 132 ATOM 1020 N LYS A 1 -3.504 12.975 11.549 1.00 0.00 N ATOM 1021 CA LYS A 1 -4.610 12.689 12.509 1.00 0.00 C ATOM 1022 C LYS A 1 -5.286 11.367 12.131 1.00 0.00 C ATOM 1023 O LYS A 1 -6.200 11.332 11.331 1.00 0.00 O ATOM 1024 CB LYS A 1 -5.644 13.821 12.456 1.00 0.00 C ATOM 1025 CG LYS A 1 -5.000 15.170 12.829 1.00 0.00 C ATOM 1026 CD LYS A 1 -4.938 15.344 14.361 1.00 0.00 C ATOM 1027 CE LYS A 1 -6.276 15.876 14.895 1.00 0.00 C ATOM 1028 NZ LYS A 1 -6.609 17.168 14.232 1.00 0.00 N ATOM 0 H1 LYS A 1 -2.629 13.170 12.076 1.00 0.00 H new ATOM 0 H2 LYS A 1 -3.359 12.151 10.931 1.00 0.00 H new ATOM 0 H3 LYS A 1 -3.752 13.803 10.970 1.00 0.00 H new ATOM 0 HA LYS A 1 -4.202 12.616 13.517 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -6.072 13.882 11.455 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.464 13.603 13.141 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -3.995 15.226 12.411 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.574 15.986 12.389 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -4.705 14.389 14.832 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -4.135 16.033 14.623 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.066 15.148 14.711 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -6.217 16.016 15.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.181 17.751 14.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.731 17.673 13.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.147 16.983 13.362 1.00 0.00 H new ATOM 1044 N ARG A 2 -4.839 10.279 12.704 1.00 0.00 N ATOM 1045 CA ARG A 2 -5.447 8.947 12.391 1.00 0.00 C ATOM 1046 C ARG A 2 -6.400 8.530 13.516 1.00 0.00 C ATOM 1047 O ARG A 2 -6.998 7.474 13.473 1.00 0.00 O ATOM 1048 CB ARG A 2 -4.335 7.900 12.269 1.00 0.00 C ATOM 1049 CG ARG A 2 -3.413 8.246 11.084 1.00 0.00 C ATOM 1050 CD ARG A 2 -2.399 9.333 11.479 1.00 0.00 C ATOM 1051 NE ARG A 2 -1.237 9.277 10.551 1.00 0.00 N ATOM 1052 CZ ARG A 2 -0.393 10.268 10.505 1.00 0.00 C ATOM 1053 NH1 ARG A 2 -0.577 11.318 11.260 1.00 0.00 N ATOM 1054 NH2 ARG A 2 0.634 10.213 9.703 1.00 0.00 N ATOM 0 H ARG A 2 -4.075 10.254 13.379 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.000 9.018 11.454 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.756 7.863 13.192 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.770 6.911 12.125 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.884 7.351 10.756 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.011 8.590 10.240 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -2.867 10.317 11.436 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.067 9.182 12.506 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.102 8.463 9.951 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -1.382 11.362 11.885 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.084 12.094 11.224 1.00 0.00 H new ATOM 0 HH21 ARG A 2 0.776 9.394 9.112 1.00 0.00 H new ATOM 0 HH22 ARG A 2 1.295 10.989 9.667 1.00 0.00 H new ATOM 1068 N ALA A 3 -6.533 9.337 14.531 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.428 8.961 15.661 1.00 0.00 C ATOM 1070 C ALA A 3 -8.896 9.118 15.262 1.00 0.00 C ATOM 1071 O ALA A 3 -9.379 10.211 15.043 1.00 0.00 O ATOM 1072 CB ALA A 3 -7.134 9.856 16.866 1.00 0.00 C ATOM 0 H ALA A 3 -6.063 10.237 14.627 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.243 7.918 15.918 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.789 9.580 17.692 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.095 9.729 17.169 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.308 10.898 16.597 1.00 0.00 H new ATOM 1078 N GLY A 4 -9.612 8.030 15.193 1.00 0.00 N ATOM 1079 CA GLY A 4 -11.056 8.103 14.838 1.00 0.00 C ATOM 1080 C GLY A 4 -11.234 8.196 13.323 1.00 0.00 C ATOM 1081 O GLY A 4 -12.331 8.061 12.816 1.00 0.00 O ATOM 0 H GLY A 4 -9.257 7.090 15.368 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.574 7.222 15.217 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.510 8.970 15.317 1.00 0.00 H new ATOM 1085 N THR A 5 -10.185 8.445 12.585 1.00 0.00 N ATOM 1086 CA THR A 5 -10.364 8.560 11.111 1.00 0.00 C ATOM 1087 C THR A 5 -10.704 7.200 10.520 1.00 0.00 C ATOM 1088 O THR A 5 -9.870 6.319 10.440 1.00 0.00 O ATOM 1089 CB THR A 5 -9.092 9.081 10.442 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.545 10.139 11.216 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.431 9.591 9.030 1.00 0.00 C ATOM 0 H THR A 5 -9.233 8.571 12.930 1.00 0.00 H new ATOM 0 HA THR A 5 -11.177 9.263 10.928 1.00 0.00 H new ATOM 0 HB THR A 5 -8.361 8.275 10.371 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.628 10.321 10.920 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.526 9.963 8.550 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.846 8.775 8.438 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.162 10.397 9.100 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.916 7.044 10.066 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.343 5.771 9.422 1.00 0.00 C ATOM 1101 C VAL A 6 -12.798 6.127 8.018 1.00 0.00 C ATOM 1102 O VAL A 6 -13.405 7.156 7.799 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.496 5.142 10.198 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.981 4.619 11.538 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.582 6.193 10.438 1.00 0.00 C ATOM 0 H VAL A 6 -12.642 7.759 10.115 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.525 5.051 9.405 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.915 4.315 9.624 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.804 4.169 12.094 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.209 3.870 11.364 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.563 5.444 12.114 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.406 5.744 10.992 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.166 7.021 11.012 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.948 6.563 9.480 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.506 5.314 7.058 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.916 5.643 5.676 1.00 0.00 C ATOM 1117 C CYS A 7 -14.429 5.731 5.565 1.00 0.00 C ATOM 1118 O CYS A 7 -15.149 4.787 5.825 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.385 4.569 4.750 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.800 4.975 3.044 1.00 0.00 S ATOM 0 H CYS A 7 -12.001 4.435 7.168 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.507 6.614 5.398 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.304 4.483 4.860 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.811 3.602 5.017 1.00 0.00 H new ATOM 1125 N SER A 8 -14.907 6.873 5.175 1.00 0.00 N ATOM 1126 CA SER A 8 -16.367 7.069 5.033 1.00 0.00 C ATOM 1127 C SER A 8 -16.922 6.081 4.008 1.00 0.00 C ATOM 1128 O SER A 8 -18.007 5.558 4.166 1.00 0.00 O ATOM 1129 CB SER A 8 -16.628 8.492 4.537 1.00 0.00 C ATOM 1130 OG SER A 8 -16.106 9.423 5.476 1.00 0.00 O ATOM 0 H SER A 8 -14.339 7.689 4.946 1.00 0.00 H new ATOM 0 HA SER A 8 -16.852 6.907 5.996 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.161 8.641 3.563 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.698 8.653 4.406 1.00 0.00 H new ATOM 0 HG SER A 8 -15.130 9.455 5.397 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.209 5.853 2.933 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.739 4.936 1.888 1.00 0.00 C ATOM 1138 C ASN A 9 -16.581 3.460 2.273 1.00 0.00 C ATOM 1139 O ASN A 9 -17.461 2.673 1.983 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.980 5.193 0.588 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.372 6.562 0.029 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -15.792 7.025 -0.933 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -17.335 7.240 0.595 1.00 0.00 N ATOM 0 H ASN A 9 -15.294 6.259 2.738 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.805 5.134 1.774 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.906 5.156 0.769 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.208 4.413 -0.139 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.598 8.155 0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.824 6.854 1.403 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.479 3.046 2.890 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.332 1.581 3.229 1.00 0.00 C ATOM 1152 C CYS A 10 -14.971 1.359 4.705 1.00 0.00 C ATOM 1153 O CYS A 10 -14.648 0.255 5.096 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.293 0.910 2.308 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.606 1.322 2.821 1.00 0.00 S ATOM 0 H CYS A 10 -14.699 3.643 3.165 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.303 1.115 3.062 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.429 -0.171 2.328 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.453 1.232 1.279 1.00 0.00 H new ATOM 1160 N GLN A 11 -15.065 2.365 5.538 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.786 2.180 7.000 1.00 0.00 C ATOM 1162 C GLN A 11 -13.401 1.584 7.271 1.00 0.00 C ATOM 1163 O GLN A 11 -13.028 1.405 8.413 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.850 1.254 7.595 1.00 0.00 C ATOM 1165 CG GLN A 11 -17.197 1.976 7.624 1.00 0.00 C ATOM 1166 CD GLN A 11 -18.295 0.975 7.978 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -18.557 0.723 9.137 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -18.953 0.385 7.017 1.00 0.00 N ATOM 0 H GLN A 11 -15.325 3.314 5.268 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.812 3.166 7.464 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.927 0.343 7.002 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.564 0.955 8.603 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.175 2.784 8.356 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.401 2.430 6.654 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -18.733 0.597 6.044 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.687 -0.287 7.240 1.00 0.00 H new ATOM 1177 N THR A 12 -12.624 1.281 6.274 1.00 0.00 N ATOM 1178 CA THR A 12 -11.281 0.712 6.572 1.00 0.00 C ATOM 1179 C THR A 12 -10.490 1.761 7.373 1.00 0.00 C ATOM 1180 O THR A 12 -10.776 2.938 7.288 1.00 0.00 O ATOM 1181 CB THR A 12 -10.565 0.362 5.257 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.473 -0.501 5.529 1.00 0.00 O ATOM 1183 CG2 THR A 12 -10.056 1.626 4.574 1.00 0.00 C ATOM 0 H THR A 12 -12.851 1.398 5.286 1.00 0.00 H new ATOM 0 HA THR A 12 -11.366 -0.204 7.157 1.00 0.00 H new ATOM 0 HB THR A 12 -11.272 -0.135 4.593 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.641 0.017 5.538 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.552 1.360 3.645 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.896 2.285 4.355 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.355 2.139 5.233 1.00 0.00 H new ATOM 1191 N SER A 13 -9.510 1.358 8.156 1.00 0.00 N ATOM 1192 CA SER A 13 -8.721 2.361 8.962 1.00 0.00 C ATOM 1193 C SER A 13 -7.215 2.097 8.788 1.00 0.00 C ATOM 1194 O SER A 13 -6.398 2.646 9.499 1.00 0.00 O ATOM 1195 CB SER A 13 -9.090 2.230 10.437 1.00 0.00 C ATOM 1196 OG SER A 13 -8.587 0.997 10.937 1.00 0.00 O ATOM 0 H SER A 13 -9.222 0.386 8.273 1.00 0.00 H new ATOM 0 HA SER A 13 -8.955 3.367 8.613 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.674 3.063 11.004 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.172 2.271 10.559 1.00 0.00 H new ATOM 0 HG SER A 13 -8.820 0.909 11.885 1.00 0.00 H new ATOM 1202 N THR A 14 -6.846 1.253 7.853 1.00 0.00 N ATOM 1203 CA THR A 14 -5.396 0.932 7.623 1.00 0.00 C ATOM 1204 C THR A 14 -4.967 1.544 6.291 1.00 0.00 C ATOM 1205 O THR A 14 -4.400 0.896 5.441 1.00 0.00 O ATOM 1206 CB THR A 14 -5.222 -0.588 7.573 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.719 -1.082 6.338 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.996 -1.224 8.727 1.00 0.00 C ATOM 0 H THR A 14 -7.493 0.767 7.232 1.00 0.00 H new ATOM 0 HA THR A 14 -4.785 1.338 8.429 1.00 0.00 H new ATOM 0 HB THR A 14 -4.165 -0.837 7.662 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.188 -0.714 5.601 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.874 -2.307 8.694 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.614 -0.844 9.675 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.053 -0.975 8.637 1.00 0.00 H new ATOM 1216 N THR A 15 -5.303 2.776 6.092 1.00 0.00 N ATOM 1217 CA THR A 15 -4.996 3.457 4.798 1.00 0.00 C ATOM 1218 C THR A 15 -3.530 3.879 4.722 1.00 0.00 C ATOM 1219 O THR A 15 -2.922 4.234 5.713 1.00 0.00 O ATOM 1220 CB THR A 15 -5.852 4.721 4.717 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.199 5.776 5.411 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.183 4.455 5.400 1.00 0.00 C ATOM 0 H THR A 15 -5.786 3.358 6.777 1.00 0.00 H new ATOM 0 HA THR A 15 -5.204 2.765 3.982 1.00 0.00 H new ATOM 0 HB THR A 15 -6.003 4.995 3.673 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.862 6.304 5.903 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.803 5.350 5.349 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.691 3.632 4.898 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.010 4.192 6.444 1.00 0.00 H new ATOM 1230 N THR A 16 -2.968 3.887 3.540 1.00 0.00 N ATOM 1231 CA THR A 16 -1.558 4.336 3.401 1.00 0.00 C ATOM 1232 C THR A 16 -1.550 5.864 3.489 1.00 0.00 C ATOM 1233 O THR A 16 -0.679 6.458 4.092 1.00 0.00 O ATOM 1234 CB THR A 16 -0.986 3.889 2.054 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.510 4.712 1.022 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.366 2.439 1.788 1.00 0.00 C ATOM 0 H THR A 16 -3.424 3.603 2.673 1.00 0.00 H new ATOM 0 HA THR A 16 -0.943 3.900 4.188 1.00 0.00 H new ATOM 0 HB THR A 16 0.100 3.977 2.077 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.999 4.158 0.378 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.956 2.126 0.828 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.962 1.806 2.578 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.452 2.345 1.767 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.547 6.505 2.918 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.633 8.000 3.001 1.00 0.00 C ATOM 1246 C LEU A 17 -4.105 8.371 3.189 1.00 0.00 C ATOM 1247 O LEU A 17 -4.964 7.898 2.470 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.081 8.675 1.716 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.413 10.019 2.068 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.151 9.777 2.940 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.044 10.774 0.764 1.00 0.00 C ATOM 0 H LEU A 17 -3.303 6.057 2.399 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.028 8.352 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.359 8.017 1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.891 8.838 1.005 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.110 10.630 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.313 10.733 3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.437 9.269 3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.559 9.159 2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.572 11.724 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.353 10.169 0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.947 10.960 0.183 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.413 9.211 4.136 1.00 0.00 N ATOM 1264 CA TRP A 18 -5.832 9.603 4.344 1.00 0.00 C ATOM 1265 C TRP A 18 -6.216 10.666 3.312 1.00 0.00 C ATOM 1266 O TRP A 18 -5.536 11.658 3.142 1.00 0.00 O ATOM 1267 CB TRP A 18 -5.986 10.182 5.764 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.226 9.071 6.747 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.417 8.762 7.787 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.332 8.119 6.795 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.959 7.686 8.468 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -7.137 7.257 7.901 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.475 7.921 6.001 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -8.039 6.240 8.208 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.384 6.894 6.307 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -9.166 6.057 7.407 1.00 0.00 C ATOM 0 H TRP A 18 -3.744 9.642 4.774 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.481 8.735 4.229 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.088 10.735 6.040 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.816 10.888 5.790 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.500 9.271 8.043 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.535 7.261 9.293 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.656 8.562 5.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.867 5.599 9.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.258 6.750 5.689 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.870 5.270 7.635 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.309 10.457 2.632 1.00 0.00 N ATOM 1288 CA ARG A 19 -7.785 11.430 1.602 1.00 0.00 C ATOM 1289 C ARG A 19 -9.106 12.054 2.053 1.00 0.00 C ATOM 1290 O ARG A 19 -9.644 11.720 3.088 1.00 0.00 O ATOM 1291 CB ARG A 19 -7.993 10.691 0.264 1.00 0.00 C ATOM 1292 CG ARG A 19 -6.651 10.563 -0.495 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.294 11.897 -1.174 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.379 11.651 -2.338 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.227 11.043 -2.206 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.754 10.746 -1.028 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.521 10.774 -3.269 1.00 0.00 N ATOM 0 H ARG A 19 -7.905 9.638 2.747 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.043 12.218 1.475 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.409 9.701 0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.715 11.231 -0.349 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.860 10.276 0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.722 9.774 -1.243 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.202 12.396 -1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.813 12.562 -0.457 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.665 11.969 -3.264 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.283 10.987 -0.190 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.855 10.272 -0.944 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.868 11.037 -4.192 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.622 10.301 -3.178 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.645 12.933 1.252 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.958 13.570 1.578 1.00 0.00 C ATOM 1313 C ARG A 20 -11.834 13.480 0.330 1.00 0.00 C ATOM 1314 O ARG A 20 -11.353 13.599 -0.780 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.743 15.039 1.975 1.00 0.00 C ATOM 1316 CG ARG A 20 -10.039 15.130 3.342 1.00 0.00 C ATOM 1317 CD ARG A 20 -11.049 14.920 4.483 1.00 0.00 C ATOM 1318 NE ARG A 20 -10.343 15.009 5.794 1.00 0.00 N ATOM 1319 CZ ARG A 20 -11.031 15.147 6.898 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -12.333 15.227 6.853 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -10.415 15.202 8.048 1.00 0.00 N ATOM 0 H ARG A 20 -9.228 13.242 0.374 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.437 13.062 2.415 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.144 15.543 1.216 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.702 15.555 2.018 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.251 14.379 3.403 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.560 16.103 3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.836 15.672 4.430 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.531 13.947 4.382 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.325 14.962 5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.816 15.182 5.956 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.867 15.335 7.715 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.398 15.137 8.085 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.951 15.310 8.909 1.00 0.00 H new ATOM 1335 N SER A 21 -13.115 13.270 0.493 1.00 0.00 N ATOM 1336 CA SER A 21 -14.012 13.171 -0.700 1.00 0.00 C ATOM 1337 C SER A 21 -14.567 14.566 -1.019 1.00 0.00 C ATOM 1338 O SER A 21 -14.570 15.439 -0.178 1.00 0.00 O ATOM 1339 CB SER A 21 -15.158 12.185 -0.404 1.00 0.00 C ATOM 1340 OG SER A 21 -16.413 12.819 -0.631 1.00 0.00 O ATOM 0 H SER A 21 -13.578 13.163 1.396 1.00 0.00 H new ATOM 0 HA SER A 21 -13.455 12.802 -1.561 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.065 11.304 -1.040 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.096 11.841 0.628 1.00 0.00 H new ATOM 0 HG SER A 21 -17.138 12.187 -0.443 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.028 14.781 -2.229 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.586 16.106 -2.619 1.00 0.00 C ATOM 1348 C PRO A 22 -16.680 16.581 -1.646 1.00 0.00 C ATOM 1349 O PRO A 22 -17.047 17.738 -1.627 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.161 15.820 -4.027 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.983 14.317 -4.330 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.026 13.733 -3.289 1.00 0.00 C ATOM 0 HA PRO A 22 -14.846 16.906 -2.602 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.215 16.093 -4.069 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.646 16.421 -4.776 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.944 13.805 -4.293 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.585 14.176 -5.335 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.374 12.772 -2.911 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.029 13.572 -3.699 1.00 0.00 H new ATOM 1360 N MET A 23 -17.205 15.687 -0.846 1.00 0.00 N ATOM 1361 CA MET A 23 -18.279 16.070 0.123 1.00 0.00 C ATOM 1362 C MET A 23 -17.662 16.396 1.487 1.00 0.00 C ATOM 1363 O MET A 23 -18.325 16.896 2.374 1.00 0.00 O ATOM 1364 CB MET A 23 -19.247 14.896 0.291 1.00 0.00 C ATOM 1365 CG MET A 23 -20.013 14.654 -1.010 1.00 0.00 C ATOM 1366 SD MET A 23 -21.148 13.261 -0.776 1.00 0.00 S ATOM 1367 CE MET A 23 -21.968 13.342 -2.387 1.00 0.00 C ATOM 0 H MET A 23 -16.935 14.704 -0.822 1.00 0.00 H new ATOM 0 HA MET A 23 -18.806 16.945 -0.258 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.696 13.998 0.570 1.00 0.00 H new ATOM 0 HB3 MET A 23 -19.947 15.105 1.100 1.00 0.00 H new ATOM 0 HG2 MET A 23 -20.568 15.549 -1.292 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.318 14.441 -1.822 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.719 12.555 -2.453 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.449 14.313 -2.502 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.230 13.207 -3.178 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.404 16.099 1.668 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.745 16.370 2.981 1.00 0.00 C ATOM 1379 C GLY A 24 -15.876 15.129 3.863 1.00 0.00 C ATOM 1380 O GLY A 24 -15.835 15.204 5.075 1.00 0.00 O ATOM 0 H GLY A 24 -15.801 15.679 0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.694 16.618 2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.209 17.229 3.466 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.033 13.982 3.255 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.172 12.714 4.026 1.00 0.00 C ATOM 1386 C ASP A 25 -14.810 11.983 4.056 1.00 0.00 C ATOM 1387 O ASP A 25 -14.320 11.586 3.018 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.176 11.821 3.288 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.452 12.615 2.990 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.431 13.823 3.159 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.428 12.000 2.595 1.00 0.00 O ATOM 0 H ASP A 25 -16.071 13.870 2.242 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.503 12.926 5.042 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.738 11.456 2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.413 10.947 3.894 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.189 11.788 5.207 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.874 11.074 5.244 1.00 0.00 C ATOM 1398 C PRO A 26 -12.903 9.752 4.457 1.00 0.00 C ATOM 1399 O PRO A 26 -13.796 8.946 4.625 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.689 10.835 6.752 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.597 11.827 7.492 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.718 12.242 6.530 1.00 0.00 C ATOM 0 HA PRO A 26 -12.063 11.635 4.780 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.950 9.809 7.012 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.648 10.982 7.038 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.013 11.368 8.389 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.028 12.699 7.815 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.664 11.760 6.776 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.893 13.318 6.550 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.926 9.525 3.609 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.886 8.246 2.818 1.00 0.00 C ATOM 1412 C VAL A 27 -10.454 7.707 2.760 1.00 0.00 C ATOM 1413 O VAL A 27 -9.501 8.438 2.939 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.394 8.488 1.392 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -13.929 8.507 1.385 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.842 9.827 0.889 1.00 0.00 C ATOM 0 H VAL A 27 -11.155 10.168 3.429 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.528 7.516 3.310 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.055 7.687 0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.286 8.679 0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.306 7.550 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.286 9.305 2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.197 10.009 -0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.183 10.630 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.752 9.795 0.891 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.291 6.433 2.485 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.917 5.868 2.386 1.00 0.00 C ATOM 1428 C CYS A 28 -8.371 6.157 0.986 1.00 0.00 C ATOM 1429 O CYS A 28 -9.117 6.371 0.051 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.924 4.351 2.673 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.764 3.429 1.355 1.00 0.00 S ATOM 0 H CYS A 28 -11.048 5.768 2.327 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.274 6.335 3.132 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.899 3.994 2.772 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.421 4.162 3.624 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.079 6.212 0.845 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.482 6.542 -0.483 1.00 0.00 C ATOM 1438 C ASN A 29 -7.085 5.674 -1.588 1.00 0.00 C ATOM 1439 O ASN A 29 -7.195 6.099 -2.722 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.973 6.295 -0.431 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.343 6.680 -1.770 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.243 5.863 -2.664 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -3.903 7.895 -1.944 1.00 0.00 N ATOM 0 H ASN A 29 -6.406 6.043 1.592 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.693 7.588 -0.704 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.526 6.879 0.374 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.773 5.246 -0.212 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.475 8.160 -2.831 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.987 8.580 -1.193 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.467 4.472 -1.292 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.044 3.612 -2.361 1.00 0.00 C ATOM 1452 C ALA A 30 -9.457 4.096 -2.759 1.00 0.00 C ATOM 1453 O ALA A 30 -9.733 4.303 -3.924 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.082 2.172 -1.870 1.00 0.00 C ATOM 0 H ALA A 30 -7.408 4.046 -0.367 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.418 3.675 -3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.503 1.534 -2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.070 1.840 -1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.700 2.109 -0.974 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.363 4.265 -1.820 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.748 4.720 -2.198 1.00 0.00 C ATOM 1462 C CYS A 31 -11.689 6.056 -2.926 1.00 0.00 C ATOM 1463 O CYS A 31 -12.395 6.284 -3.872 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.623 4.924 -0.956 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.092 3.336 -0.255 1.00 0.00 S ATOM 0 H CYS A 31 -10.209 4.111 -0.823 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.172 3.945 -2.836 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.082 5.511 -0.214 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.516 5.490 -1.221 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.874 6.952 -2.485 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.831 8.268 -3.164 1.00 0.00 C ATOM 1472 C GLY A 32 -10.557 8.068 -4.651 1.00 0.00 C ATOM 1473 O GLY A 32 -11.232 8.621 -5.497 1.00 0.00 O ATOM 0 H GLY A 32 -10.240 6.839 -1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.777 8.791 -3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.054 8.892 -2.721 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.566 7.292 -4.975 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.237 7.065 -6.406 1.00 0.00 C ATOM 1479 C LEU A 33 -10.323 6.221 -7.080 1.00 0.00 C ATOM 1480 O LEU A 33 -10.835 6.575 -8.121 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.907 6.319 -6.482 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.802 7.148 -5.810 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.516 6.307 -5.708 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.535 8.431 -6.623 1.00 0.00 C ATOM 0 H LEU A 33 -8.967 6.803 -4.309 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.173 8.025 -6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.995 5.350 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.647 6.127 -7.523 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.124 7.431 -4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.733 6.896 -5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.711 5.414 -5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.192 6.014 -6.707 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.750 9.012 -6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.219 8.164 -7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.447 9.026 -6.675 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.674 5.103 -6.507 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.718 4.241 -7.137 1.00 0.00 C ATOM 1498 C TYR A 34 -13.029 5.016 -7.257 1.00 0.00 C ATOM 1499 O TYR A 34 -13.675 5.013 -8.286 1.00 0.00 O ATOM 1500 CB TYR A 34 -11.943 2.993 -6.271 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.146 2.223 -6.772 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.436 2.644 -6.430 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.970 1.092 -7.579 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.550 1.935 -6.894 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -14.085 0.382 -8.041 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.375 0.804 -7.698 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.475 0.106 -8.154 1.00 0.00 O ATOM 0 H TYR A 34 -10.286 4.748 -5.633 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.383 3.943 -8.131 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.058 2.358 -6.298 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.095 3.284 -5.232 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.572 3.516 -5.808 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.975 0.768 -7.845 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.545 2.261 -6.631 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.950 -0.491 -8.662 1.00 0.00 H new ATOM 0 HH TYR A 34 -16.178 -0.652 -8.700 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.431 5.658 -6.204 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.708 6.415 -6.226 1.00 0.00 C ATOM 1519 C TYR A 35 -14.651 7.499 -7.305 1.00 0.00 C ATOM 1520 O TYR A 35 -15.569 7.691 -8.056 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.918 7.071 -4.855 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.361 7.472 -4.695 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.775 8.737 -5.109 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.280 6.583 -4.120 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.111 9.123 -4.952 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.617 6.962 -3.964 1.00 0.00 C ATOM 1527 CZ TYR A 35 -19.035 8.235 -4.379 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.354 8.616 -4.221 1.00 0.00 O ATOM 0 H TYR A 35 -12.925 5.692 -5.319 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.532 5.737 -6.446 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.634 6.378 -4.063 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.275 7.946 -4.758 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.064 9.420 -5.551 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.955 5.605 -3.797 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.431 10.104 -5.272 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.326 6.276 -3.525 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.859 7.884 -3.810 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.589 8.225 -7.384 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.518 9.300 -8.411 1.00 0.00 C ATOM 1540 C LYS A 36 -13.659 8.707 -9.823 1.00 0.00 C ATOM 1541 O LYS A 36 -14.320 9.271 -10.673 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.161 9.988 -8.267 1.00 0.00 C ATOM 1543 CG LYS A 36 -12.015 11.112 -9.289 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.733 11.898 -8.984 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.500 11.033 -9.268 1.00 0.00 C ATOM 1546 NZ LYS A 36 -8.301 11.909 -9.398 1.00 0.00 N ATOM 0 H LYS A 36 -12.766 8.129 -6.790 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.330 10.013 -8.266 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.057 10.390 -7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.362 9.259 -8.404 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.974 10.701 -10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.881 11.773 -9.249 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.699 12.802 -9.592 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.732 12.214 -7.941 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.353 10.314 -8.462 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.647 10.460 -10.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.463 11.324 -9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.443 12.579 -10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.159 12.436 -8.513 1.00 0.00 H new ATOM 1560 N LEU A 37 -13.037 7.592 -10.090 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.130 6.988 -11.456 1.00 0.00 C ATOM 1562 C LEU A 37 -14.533 6.410 -11.738 1.00 0.00 C ATOM 1563 O LEU A 37 -15.036 6.542 -12.836 1.00 0.00 O ATOM 1564 CB LEU A 37 -12.063 5.881 -11.588 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.749 6.460 -12.137 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.295 7.657 -11.291 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.670 5.374 -12.102 1.00 0.00 C ATOM 0 H LEU A 37 -12.468 7.070 -9.424 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.953 7.773 -12.191 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.886 5.421 -10.616 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.426 5.096 -12.251 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.909 6.796 -13.161 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.363 8.055 -11.694 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.061 8.432 -11.316 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.137 7.336 -10.261 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.735 5.778 -12.490 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.523 5.040 -11.075 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.983 4.530 -12.716 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.157 5.751 -10.783 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.516 5.148 -11.041 1.00 0.00 C ATOM 1581 C HIS A 38 -17.593 5.816 -10.186 1.00 0.00 C ATOM 1582 O HIS A 38 -18.768 5.610 -10.406 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.481 3.657 -10.709 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.467 2.971 -11.577 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.821 2.291 -12.733 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -14.106 2.842 -11.468 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.693 1.786 -13.266 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.619 2.094 -12.535 1.00 0.00 N ATOM 0 H HIS A 38 -14.790 5.604 -9.843 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.759 5.303 -12.092 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.231 3.514 -9.658 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.466 3.216 -10.865 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.504 3.258 -10.674 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.661 1.203 -14.174 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.649 1.836 -12.719 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.228 6.626 -9.235 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.240 7.322 -8.387 1.00 0.00 C ATOM 1598 C GLN A 39 -19.368 6.369 -7.962 1.00 0.00 C ATOM 1599 O GLN A 39 -20.540 6.639 -8.116 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.729 8.563 -9.141 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.713 9.373 -8.290 1.00 0.00 C ATOM 1602 CD GLN A 39 -19.859 10.773 -8.891 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.089 11.163 -9.745 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -20.823 11.549 -8.479 1.00 0.00 N ATOM 0 H GLN A 39 -16.258 6.840 -9.004 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.792 7.653 -7.450 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.877 9.187 -9.411 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -19.211 8.261 -10.071 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -20.682 8.874 -8.258 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -19.355 9.440 -7.263 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.470 11.222 -7.762 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -20.930 12.483 -8.874 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.996 5.260 -7.376 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.985 4.279 -6.861 1.00 0.00 C ATOM 1615 C VAL A 40 -19.359 3.589 -5.650 1.00 0.00 C ATOM 1616 O VAL A 40 -18.153 3.548 -5.512 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.327 3.230 -7.916 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.198 3.852 -9.006 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -19.046 2.661 -8.528 1.00 0.00 C ATOM 0 H VAL A 40 -18.023 4.991 -7.232 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.907 4.797 -6.596 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.879 2.419 -7.441 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.438 3.097 -9.755 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.120 4.230 -8.564 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.659 4.673 -9.478 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.302 1.914 -9.279 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.478 3.465 -8.995 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.444 2.198 -7.746 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.149 3.054 -4.765 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.560 2.378 -3.566 1.00 0.00 C ATOM 1631 C ASN A 41 -19.220 0.921 -3.916 1.00 0.00 C ATOM 1632 O ASN A 41 -20.061 0.170 -4.368 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.563 2.412 -2.410 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.906 1.849 -2.877 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.119 0.654 -2.854 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.831 2.668 -3.300 1.00 0.00 N ATOM 0 H ASN A 41 -21.168 3.052 -4.813 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.651 2.899 -3.266 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.185 1.828 -1.571 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.690 3.435 -2.056 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.732 2.304 -3.611 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.653 3.672 -3.320 1.00 0.00 H new ATOM 1643 N ARG A 42 -17.984 0.519 -3.717 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.575 -0.886 -4.047 1.00 0.00 C ATOM 1645 C ARG A 42 -17.628 -1.763 -2.769 1.00 0.00 C ATOM 1646 O ARG A 42 -17.109 -1.365 -1.744 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.135 -0.870 -4.578 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.788 -2.232 -5.186 1.00 0.00 C ATOM 1649 CD ARG A 42 -14.306 -2.262 -5.567 1.00 0.00 C ATOM 1650 NE ARG A 42 -14.036 -3.447 -6.431 1.00 0.00 N ATOM 1651 CZ ARG A 42 -12.920 -3.527 -7.105 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -12.032 -2.575 -7.012 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -12.691 -4.560 -7.868 1.00 0.00 N ATOM 0 H ARG A 42 -17.240 1.105 -3.339 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.253 -1.295 -4.796 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.024 -0.088 -5.329 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.443 -0.636 -3.769 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.006 -3.026 -4.472 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.404 -2.416 -6.066 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.037 -1.346 -6.094 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.690 -2.306 -4.669 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.724 -4.197 -6.496 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.210 -1.769 -6.413 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.160 -2.637 -7.538 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.384 -5.306 -7.938 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.819 -4.622 -8.394 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.234 -2.946 -2.800 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.292 -3.810 -1.579 1.00 0.00 C ATOM 1669 C PRO A 43 -16.941 -3.909 -0.847 1.00 0.00 C ATOM 1670 O PRO A 43 -15.887 -3.763 -1.433 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.734 -5.168 -2.151 1.00 0.00 C ATOM 1672 CG PRO A 43 -19.306 -4.927 -3.561 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.899 -3.512 -4.016 1.00 0.00 C ATOM 0 HA PRO A 43 -18.964 -3.415 -0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -17.890 -5.856 -2.195 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.486 -5.626 -1.508 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -18.925 -5.674 -4.258 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.392 -5.025 -3.552 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.222 -3.542 -4.870 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.764 -2.920 -4.316 1.00 0.00 H new ATOM 1681 N LEU A 44 -16.981 -4.132 0.441 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.727 -4.217 1.250 1.00 0.00 C ATOM 1683 C LEU A 44 -14.940 -5.498 0.929 1.00 0.00 C ATOM 1684 O LEU A 44 -13.946 -5.794 1.562 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.103 -4.196 2.749 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.168 -2.748 3.253 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.354 -2.033 2.606 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.340 -2.738 4.774 1.00 0.00 C ATOM 0 H LEU A 44 -17.841 -4.261 0.974 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.091 -3.366 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.066 -4.685 2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.367 -4.758 3.325 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.243 -2.235 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.399 -1.005 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.233 -2.034 1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.277 -2.549 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.386 -1.708 5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.263 -3.254 5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.494 -3.244 5.239 1.00 0.00 H new ATOM 1700 N THR A 45 -15.369 -6.259 -0.031 1.00 0.00 N ATOM 1701 CA THR A 45 -14.632 -7.513 -0.360 1.00 0.00 C ATOM 1702 C THR A 45 -13.180 -7.193 -0.731 1.00 0.00 C ATOM 1703 O THR A 45 -12.350 -8.076 -0.823 1.00 0.00 O ATOM 1704 CB THR A 45 -15.297 -8.193 -1.556 1.00 0.00 C ATOM 1705 OG1 THR A 45 -14.628 -9.417 -1.829 1.00 0.00 O ATOM 1706 CG2 THR A 45 -15.200 -7.274 -2.777 1.00 0.00 C ATOM 0 H THR A 45 -16.193 -6.073 -0.602 1.00 0.00 H new ATOM 0 HA THR A 45 -14.652 -8.168 0.511 1.00 0.00 H new ATOM 0 HB THR A 45 -16.345 -8.392 -1.332 1.00 0.00 H new ATOM 0 HG1 THR A 45 -13.724 -9.387 -1.451 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.673 -7.755 -3.633 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.706 -6.332 -2.565 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.152 -7.080 -3.004 1.00 0.00 H new ATOM 1714 N MET A 46 -12.864 -5.944 -0.970 1.00 0.00 N ATOM 1715 CA MET A 46 -11.461 -5.589 -1.364 1.00 0.00 C ATOM 1716 C MET A 46 -10.650 -5.182 -0.130 1.00 0.00 C ATOM 1717 O MET A 46 -9.443 -5.051 -0.189 1.00 0.00 O ATOM 1718 CB MET A 46 -11.498 -4.424 -2.361 1.00 0.00 C ATOM 1719 CG MET A 46 -10.114 -4.232 -2.998 1.00 0.00 C ATOM 1720 SD MET A 46 -10.214 -2.948 -4.274 1.00 0.00 S ATOM 1721 CE MET A 46 -8.917 -3.588 -5.366 1.00 0.00 C ATOM 0 H MET A 46 -13.511 -5.158 -0.910 1.00 0.00 H new ATOM 0 HA MET A 46 -10.988 -6.456 -1.824 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.239 -4.621 -3.135 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.803 -3.509 -1.853 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.387 -3.949 -2.237 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.769 -5.169 -3.435 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.826 -2.943 -6.240 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.968 -3.610 -4.830 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.176 -4.597 -5.686 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.290 -4.979 0.989 1.00 0.00 N ATOM 1732 CA ARG A 47 -10.525 -4.579 2.208 1.00 0.00 C ATOM 1733 C ARG A 47 -9.878 -5.812 2.834 1.00 0.00 C ATOM 1734 O ARG A 47 -10.477 -6.865 2.929 1.00 0.00 O ATOM 1735 CB ARG A 47 -11.454 -3.923 3.228 1.00 0.00 C ATOM 1736 CG ARG A 47 -12.281 -2.833 2.550 1.00 0.00 C ATOM 1737 CD ARG A 47 -11.372 -1.849 1.812 1.00 0.00 C ATOM 1738 NE ARG A 47 -10.172 -1.550 2.641 1.00 0.00 N ATOM 1739 CZ ARG A 47 -9.144 -0.956 2.101 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -9.191 -0.581 0.850 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -8.073 -0.725 2.810 1.00 0.00 N ATOM 0 H ARG A 47 -12.298 -5.071 1.114 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.755 -3.864 1.919 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.113 -4.672 3.667 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.870 -3.495 4.043 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.983 -3.285 1.849 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.873 -2.301 3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.067 -2.270 0.854 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.915 -0.929 1.598 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.154 -1.809 3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.031 -0.753 0.297 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.388 -0.116 0.426 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.038 -1.009 3.789 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.271 -0.260 2.385 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.651 -5.675 3.262 1.00 0.00 N ATOM 1756 CA LYS A 48 -7.917 -6.816 3.895 1.00 0.00 C ATOM 1757 C LYS A 48 -7.429 -6.392 5.281 1.00 0.00 C ATOM 1758 O LYS A 48 -7.052 -5.258 5.496 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.713 -7.183 3.029 1.00 0.00 C ATOM 1760 CG LYS A 48 -7.194 -7.825 1.728 1.00 0.00 C ATOM 1761 CD LYS A 48 -5.998 -8.015 0.784 1.00 0.00 C ATOM 1762 CE LYS A 48 -5.024 -9.071 1.347 1.00 0.00 C ATOM 1763 NZ LYS A 48 -3.966 -8.395 2.151 1.00 0.00 N ATOM 0 H LYS A 48 -8.116 -4.809 3.200 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.581 -7.676 3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.124 -6.292 2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.062 -7.872 3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.665 -8.786 1.935 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.949 -7.196 1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.350 -8.325 -0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.478 -7.066 0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.565 -9.786 1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.571 -9.635 0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.038 -8.557 1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.158 -7.374 2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.963 -8.782 3.116 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.465 -7.286 6.230 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.043 -6.952 7.624 1.00 0.00 C ATOM 1779 C ASP A 49 -5.658 -6.288 7.672 1.00 0.00 C ATOM 1780 O ASP A 49 -5.151 -5.999 8.737 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.994 -8.237 8.449 1.00 0.00 C ATOM 1782 CG ASP A 49 -6.657 -7.894 9.900 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -7.544 -7.431 10.599 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -5.520 -8.101 10.290 1.00 0.00 O ATOM 0 H ASP A 49 -7.773 -8.249 6.099 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.769 -6.246 8.027 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.953 -8.752 8.399 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.246 -8.916 8.041 1.00 0.00 H new ATOM 1789 N GLY A 50 -5.033 -6.037 6.552 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.686 -5.389 6.590 1.00 0.00 C ATOM 1791 C GLY A 50 -3.454 -4.594 5.308 1.00 0.00 C ATOM 1792 O GLY A 50 -4.221 -4.671 4.369 1.00 0.00 O ATOM 0 H GLY A 50 -5.391 -6.249 5.621 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.615 -4.729 7.455 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.911 -6.147 6.703 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.389 -3.837 5.254 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.092 -3.050 4.033 1.00 0.00 C ATOM 1798 C ILE A 51 -1.277 -3.911 3.071 1.00 0.00 C ATOM 1799 O ILE A 51 -0.351 -4.599 3.454 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.330 -1.782 4.436 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.216 -0.994 5.426 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.014 -0.931 3.195 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.817 0.484 5.471 1.00 0.00 C ATOM 0 H ILE A 51 -1.712 -3.733 6.010 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.011 -2.754 3.528 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.382 -2.041 4.906 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.262 -1.082 5.132 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.127 -1.428 6.422 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.473 -0.034 3.497 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.401 -1.509 2.504 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.944 -0.645 2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.458 1.013 6.176 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.778 0.571 5.789 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.930 0.922 4.479 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.629 -3.867 1.821 1.00 0.00 N ATOM 1816 CA GLN A 52 -0.899 -4.669 0.805 1.00 0.00 C ATOM 1817 C GLN A 52 0.381 -3.931 0.417 1.00 0.00 C ATOM 1818 O GLN A 52 0.419 -2.722 0.391 1.00 0.00 O ATOM 1819 CB GLN A 52 -1.780 -4.829 -0.436 1.00 0.00 C ATOM 1820 CG GLN A 52 -2.985 -5.711 -0.112 1.00 0.00 C ATOM 1821 CD GLN A 52 -3.940 -5.712 -1.307 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.531 -6.723 -1.626 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.122 -4.606 -1.982 1.00 0.00 N ATOM 0 H GLN A 52 -2.398 -3.305 1.455 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.654 -5.650 1.212 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.117 -3.852 -0.781 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.202 -5.272 -1.247 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.659 -6.727 0.109 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.495 -5.339 0.777 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.625 -3.757 -1.713 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.761 -4.593 -2.777 1.00 0.00 H new ATOM 1832 N THR A 53 1.434 -4.641 0.123 1.00 0.00 N ATOM 1833 CA THR A 53 2.711 -3.965 -0.270 1.00 0.00 C ATOM 1834 C THR A 53 3.305 -4.679 -1.473 1.00 0.00 C ATOM 1835 O THR A 53 2.993 -5.817 -1.763 1.00 0.00 O ATOM 1836 CB THR A 53 3.710 -3.991 0.888 1.00 0.00 C ATOM 1837 OG1 THR A 53 5.033 -3.985 0.370 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.491 -5.245 1.718 1.00 0.00 C ATOM 0 H THR A 53 1.470 -5.660 0.137 1.00 0.00 H new ATOM 0 HA THR A 53 2.499 -2.926 -0.522 1.00 0.00 H new ATOM 0 HB THR A 53 3.564 -3.113 1.517 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.674 -4.000 1.111 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.203 -5.264 2.543 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.476 -5.246 2.114 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.637 -6.126 1.092 1.00 0.00 H new ATOM 1846 N ARG A 54 4.154 -4.000 -2.180 1.00 0.00 N ATOM 1847 CA ARG A 54 4.781 -4.599 -3.387 1.00 0.00 C ATOM 1848 C ARG A 54 6.164 -3.987 -3.596 1.00 0.00 C ATOM 1849 O ARG A 54 6.449 -2.898 -3.136 1.00 0.00 O ATOM 1850 CB ARG A 54 3.888 -4.316 -4.603 1.00 0.00 C ATOM 1851 CG ARG A 54 4.245 -5.266 -5.761 1.00 0.00 C ATOM 1852 CD ARG A 54 3.501 -6.603 -5.606 1.00 0.00 C ATOM 1853 NE ARG A 54 4.213 -7.658 -6.377 1.00 0.00 N ATOM 1854 CZ ARG A 54 3.984 -8.919 -6.127 1.00 0.00 C ATOM 1855 NH1 ARG A 54 3.151 -9.259 -5.181 1.00 0.00 N ATOM 1856 NH2 ARG A 54 4.596 -9.840 -6.819 1.00 0.00 N ATOM 0 H ARG A 54 4.445 -3.045 -1.973 1.00 0.00 H new ATOM 0 HA ARG A 54 4.888 -5.676 -3.260 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.840 -4.442 -4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.013 -3.281 -4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.982 -4.804 -6.713 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.321 -5.441 -5.778 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.446 -6.881 -4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.476 -6.505 -5.964 1.00 0.00 H new ATOM 0 HE ARG A 54 4.881 -7.396 -7.102 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.677 -8.539 -4.635 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.974 -10.245 -4.988 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.252 -9.575 -7.554 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.419 -10.826 -6.625 1.00 0.00 H new ATOM 1870 N ASN A 55 7.026 -4.682 -4.280 1.00 0.00 N ATOM 1871 CA ASN A 55 8.392 -4.146 -4.513 1.00 0.00 C ATOM 1872 C ASN A 55 8.292 -2.748 -5.134 1.00 0.00 C ATOM 1873 O ASN A 55 7.453 -2.485 -5.972 1.00 0.00 O ATOM 1874 CB ASN A 55 9.144 -5.088 -5.457 1.00 0.00 C ATOM 1875 CG ASN A 55 8.382 -5.221 -6.775 1.00 0.00 C ATOM 1876 OD1 ASN A 55 7.313 -4.668 -6.933 1.00 0.00 O ATOM 1877 ND2 ASN A 55 8.893 -5.944 -7.736 1.00 0.00 N ATOM 0 H ASN A 55 6.843 -5.599 -4.688 1.00 0.00 H new ATOM 0 HA ASN A 55 8.931 -4.076 -3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 55 10.147 -4.705 -5.644 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.258 -6.067 -4.992 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.394 -6.044 -8.620 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.791 -6.408 -7.602 1.00 0.00 H new ATOM 1884 N ARG A 56 9.136 -1.849 -4.712 1.00 0.00 N ATOM 1885 CA ARG A 56 9.098 -0.453 -5.249 1.00 0.00 C ATOM 1886 C ARG A 56 9.391 -0.444 -6.753 1.00 0.00 C ATOM 1887 O ARG A 56 10.340 -1.050 -7.212 1.00 0.00 O ATOM 1888 CB ARG A 56 10.169 0.374 -4.537 1.00 0.00 C ATOM 1889 CG ARG A 56 9.766 0.570 -3.074 1.00 0.00 C ATOM 1890 CD ARG A 56 10.830 1.396 -2.348 1.00 0.00 C ATOM 1891 NE ARG A 56 10.701 1.188 -0.881 1.00 0.00 N ATOM 1892 CZ ARG A 56 11.692 1.488 -0.086 1.00 0.00 C ATOM 1893 NH1 ARG A 56 12.810 1.948 -0.575 1.00 0.00 N ATOM 1894 NH2 ARG A 56 11.566 1.314 1.202 1.00 0.00 N ATOM 0 H ARG A 56 9.858 -2.020 -4.012 1.00 0.00 H new ATOM 0 HA ARG A 56 8.106 -0.035 -5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.133 -0.130 -4.596 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.284 1.341 -5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.801 1.074 -3.018 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.649 -0.398 -2.587 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.825 1.102 -2.682 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.712 2.453 -2.588 1.00 0.00 H new ATOM 0 HE ARG A 56 9.836 0.810 -0.495 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.912 2.075 -1.582 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.582 2.181 0.049 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.695 0.945 1.584 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.338 1.547 1.826 1.00 0.00 H new ATOM 1908 N LYS A 57 8.580 0.233 -7.528 1.00 0.00 N ATOM 1909 CA LYS A 57 8.814 0.269 -9.001 1.00 0.00 C ATOM 1910 C LYS A 57 10.057 1.093 -9.339 1.00 0.00 C ATOM 1911 O LYS A 57 10.841 1.446 -8.480 1.00 0.00 O ATOM 1912 CB LYS A 57 7.613 0.858 -9.716 1.00 0.00 C ATOM 1913 CG LYS A 57 7.315 2.241 -9.180 1.00 0.00 C ATOM 1914 CD LYS A 57 6.126 2.783 -9.955 1.00 0.00 C ATOM 1915 CE LYS A 57 5.729 4.154 -9.419 1.00 0.00 C ATOM 1916 NZ LYS A 57 6.827 5.134 -9.659 1.00 0.00 N ATOM 0 H LYS A 57 7.769 0.760 -7.204 1.00 0.00 H new ATOM 0 HA LYS A 57 8.968 -0.757 -9.336 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.807 0.909 -10.787 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.746 0.212 -9.579 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.091 2.199 -8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.180 2.893 -9.299 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.376 2.857 -11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.285 2.095 -9.873 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.815 4.493 -9.906 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.516 4.089 -8.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.464 6.100 -9.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.600 4.961 -8.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.184 5.025 -10.630 1.00 0.00 H new ATOM 1930 N VAL A 58 10.240 1.391 -10.598 1.00 0.00 N ATOM 1931 CA VAL A 58 11.428 2.177 -11.023 1.00 0.00 C ATOM 1932 C VAL A 58 11.478 3.495 -10.252 1.00 0.00 C ATOM 1933 O VAL A 58 10.462 4.090 -9.952 1.00 0.00 O ATOM 1934 CB VAL A 58 11.318 2.476 -12.520 1.00 0.00 C ATOM 1935 CG1 VAL A 58 11.307 1.163 -13.302 1.00 0.00 C ATOM 1936 CG2 VAL A 58 10.023 3.250 -12.799 1.00 0.00 C ATOM 0 H VAL A 58 9.611 1.120 -11.354 1.00 0.00 H new ATOM 0 HA VAL A 58 12.334 1.605 -10.820 1.00 0.00 H new ATOM 0 HB VAL A 58 12.171 3.078 -12.832 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.229 1.375 -14.368 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.230 0.616 -13.108 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.455 0.560 -12.989 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.948 3.461 -13.866 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.167 2.652 -12.486 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.033 4.188 -12.243 1.00 0.00 H new ATOM 1946 N SER A 59 12.655 3.964 -9.939 1.00 0.00 N ATOM 1947 CA SER A 59 12.766 5.254 -9.201 1.00 0.00 C ATOM 1948 C SER A 59 12.835 6.394 -10.218 1.00 0.00 C ATOM 1949 O SER A 59 13.770 7.169 -10.245 1.00 0.00 O ATOM 1950 CB SER A 59 14.021 5.249 -8.325 1.00 0.00 C ATOM 1951 OG SER A 59 14.253 6.559 -7.826 1.00 0.00 O ATOM 0 H SER A 59 13.542 3.512 -10.161 1.00 0.00 H new ATOM 0 HA SER A 59 11.898 5.389 -8.556 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.898 4.549 -7.498 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.881 4.911 -8.904 1.00 0.00 H new ATOM 0 HG SER A 59 14.406 7.172 -8.575 1.00 0.00 H new ATOM 1957 N SER A 60 11.835 6.495 -11.053 1.00 0.00 N ATOM 1958 CA SER A 60 11.802 7.577 -12.080 1.00 0.00 C ATOM 1959 C SER A 60 11.789 8.929 -11.377 1.00 0.00 C ATOM 1960 O SER A 60 12.378 9.890 -11.831 1.00 0.00 O ATOM 1961 CB SER A 60 10.533 7.437 -12.921 1.00 0.00 C ATOM 1962 OG SER A 60 10.477 8.496 -13.867 1.00 0.00 O ATOM 0 H SER A 60 11.031 5.867 -11.067 1.00 0.00 H new ATOM 0 HA SER A 60 12.678 7.501 -12.724 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.527 6.475 -13.434 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.653 7.461 -12.279 1.00 0.00 H new ATOM 0 HG SER A 60 9.665 8.408 -14.409 1.00 0.00 H new ATOM 1968 N LYS A 61 11.107 9.003 -10.274 1.00 0.00 N ATOM 1969 CA LYS A 61 11.019 10.278 -9.517 1.00 0.00 C ATOM 1970 C LYS A 61 12.426 10.723 -9.102 1.00 0.00 C ATOM 1971 O LYS A 61 12.754 11.893 -9.139 1.00 0.00 O ATOM 1972 CB LYS A 61 10.173 10.037 -8.267 1.00 0.00 C ATOM 1973 CG LYS A 61 8.755 9.624 -8.674 1.00 0.00 C ATOM 1974 CD LYS A 61 7.920 9.386 -7.413 1.00 0.00 C ATOM 1975 CE LYS A 61 6.498 8.970 -7.801 1.00 0.00 C ATOM 1976 NZ LYS A 61 5.783 10.134 -8.393 1.00 0.00 N ATOM 0 H LYS A 61 10.599 8.223 -9.858 1.00 0.00 H new ATOM 0 HA LYS A 61 10.567 11.053 -10.135 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.627 9.259 -7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.138 10.942 -7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.298 10.402 -9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.787 8.719 -9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.381 8.610 -6.802 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.891 10.293 -6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.531 8.148 -8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.962 8.608 -6.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.762 9.937 -8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.956 10.980 -7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.130 10.300 -9.359 1.00 0.00 H new ATOM 1990 N GLY A 62 13.259 9.799 -8.701 1.00 0.00 N ATOM 1991 CA GLY A 62 14.648 10.161 -8.277 1.00 0.00 C ATOM 1992 C GLY A 62 15.612 9.993 -9.455 1.00 0.00 C ATOM 1993 O GLY A 62 16.697 9.463 -9.308 1.00 0.00 O ATOM 0 H GLY A 62 13.038 8.805 -8.648 1.00 0.00 H new ATOM 0 HA2 GLY A 62 14.672 11.191 -7.920 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.961 9.528 -7.446 1.00 0.00 H new ATOM 1997 N LYS A 63 15.229 10.432 -10.627 1.00 0.00 N ATOM 1998 CA LYS A 63 16.125 10.286 -11.813 1.00 0.00 C ATOM 1999 C LYS A 63 17.066 11.489 -11.915 1.00 0.00 C ATOM 2000 O LYS A 63 16.637 12.622 -12.019 1.00 0.00 O ATOM 2001 CB LYS A 63 15.275 10.201 -13.088 1.00 0.00 C ATOM 2002 CG LYS A 63 16.185 10.047 -14.315 1.00 0.00 C ATOM 2003 CD LYS A 63 15.331 9.875 -15.576 1.00 0.00 C ATOM 2004 CE LYS A 63 16.243 9.765 -16.805 1.00 0.00 C ATOM 2005 NZ LYS A 63 15.479 9.189 -17.948 1.00 0.00 N ATOM 0 H LYS A 63 14.334 10.885 -10.813 1.00 0.00 H new ATOM 0 HA LYS A 63 16.716 9.377 -11.700 1.00 0.00 H new ATOM 0 HB2 LYS A 63 14.591 9.355 -13.023 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.664 11.098 -13.188 1.00 0.00 H new ATOM 0 HG2 LYS A 63 16.826 10.922 -14.416 1.00 0.00 H new ATOM 0 HG3 LYS A 63 16.840 9.185 -14.188 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.712 8.982 -15.489 1.00 0.00 H new ATOM 0 HD3 LYS A 63 14.654 10.722 -15.687 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.629 10.749 -17.072 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.103 9.136 -16.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.100 9.116 -18.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.131 8.243 -17.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.672 9.806 -18.172 1.00 0.00 H new ATOM 2019 N LYS A 64 18.351 11.247 -11.913 1.00 0.00 N ATOM 2020 CA LYS A 64 19.337 12.361 -12.042 1.00 0.00 C ATOM 2021 C LYS A 64 20.502 11.878 -12.907 1.00 0.00 C ATOM 2022 O LYS A 64 20.774 10.695 -12.985 1.00 0.00 O ATOM 2023 CB LYS A 64 19.859 12.779 -10.664 1.00 0.00 C ATOM 2024 CG LYS A 64 18.743 13.477 -9.885 1.00 0.00 C ATOM 2025 CD LYS A 64 19.286 13.963 -8.541 1.00 0.00 C ATOM 2026 CE LYS A 64 18.168 14.652 -7.756 1.00 0.00 C ATOM 2027 NZ LYS A 64 18.601 14.841 -6.343 1.00 0.00 N ATOM 0 H LYS A 64 18.763 10.318 -11.827 1.00 0.00 H new ATOM 0 HA LYS A 64 18.854 13.223 -12.501 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.208 11.904 -10.115 1.00 0.00 H new ATOM 0 HB3 LYS A 64 20.713 13.448 -10.774 1.00 0.00 H new ATOM 0 HG2 LYS A 64 18.356 14.319 -10.459 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.911 12.790 -9.726 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.680 13.122 -7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 64 20.113 14.655 -8.700 1.00 0.00 H new ATOM 0 HE2 LYS A 64 17.932 15.615 -8.208 1.00 0.00 H new ATOM 0 HE3 LYS A 64 17.259 14.051 -7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.843 15.309 -5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.806 13.915 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 19.457 15.431 -6.318 1.00 0.00 H new ATOM 2041 N ARG A 65 21.194 12.771 -13.561 1.00 0.00 N ATOM 2042 CA ARG A 65 22.337 12.340 -14.417 1.00 0.00 C ATOM 2043 C ARG A 65 23.558 12.087 -13.539 1.00 0.00 C ATOM 2044 O ARG A 65 24.648 11.845 -14.020 1.00 0.00 O ATOM 2045 CB ARG A 65 22.648 13.419 -15.466 1.00 0.00 C ATOM 2046 CG ARG A 65 23.208 14.676 -14.787 1.00 0.00 C ATOM 2047 CD ARG A 65 23.415 15.774 -15.838 1.00 0.00 C ATOM 2048 NE ARG A 65 24.209 16.907 -15.248 1.00 0.00 N ATOM 2049 CZ ARG A 65 23.844 17.500 -14.140 1.00 0.00 C ATOM 2050 NH1 ARG A 65 22.661 17.297 -13.632 1.00 0.00 N ATOM 2051 NH2 ARG A 65 24.649 18.357 -13.572 1.00 0.00 N ATOM 0 H ARG A 65 21.019 13.776 -13.540 1.00 0.00 H new ATOM 0 HA ARG A 65 22.073 11.420 -14.938 1.00 0.00 H new ATOM 0 HB2 ARG A 65 23.369 13.036 -16.189 1.00 0.00 H new ATOM 0 HB3 ARG A 65 21.743 13.669 -16.020 1.00 0.00 H new ATOM 0 HG2 ARG A 65 22.521 15.022 -14.014 1.00 0.00 H new ATOM 0 HG3 ARG A 65 24.153 14.446 -14.294 1.00 0.00 H new ATOM 0 HD2 ARG A 65 23.936 15.366 -16.704 1.00 0.00 H new ATOM 0 HD3 ARG A 65 22.450 16.139 -16.189 1.00 0.00 H new ATOM 0 HE ARG A 65 25.054 17.222 -15.724 1.00 0.00 H new ATOM 0 HH11 ARG A 65 22.006 16.669 -14.099 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.390 17.766 -12.768 1.00 0.00 H new ATOM 0 HH21 ARG A 65 25.556 18.561 -13.992 1.00 0.00 H new ATOM 0 HH22 ARG A 65 24.371 18.823 -12.708 1.00 0.00 H new ATOM 2065 N ARG A 66 23.379 12.141 -12.255 1.00 0.00 N ATOM 2066 CA ARG A 66 24.523 11.905 -11.331 1.00 0.00 C ATOM 2067 C ARG A 66 25.107 10.513 -11.591 1.00 0.00 C ATOM 2068 O ARG A 66 24.605 9.838 -12.473 1.00 0.00 O ATOM 2069 CB ARG A 66 24.043 11.994 -9.871 1.00 0.00 C ATOM 2070 CG ARG A 66 23.822 13.465 -9.459 1.00 0.00 C ATOM 2071 CD ARG A 66 25.128 14.066 -8.902 1.00 0.00 C ATOM 2072 NE ARG A 66 26.299 13.395 -9.528 1.00 0.00 N ATOM 2073 CZ ARG A 66 27.473 13.960 -9.492 1.00 0.00 C ATOM 2074 NH1 ARG A 66 27.620 15.121 -8.915 1.00 0.00 N ATOM 2075 NH2 ARG A 66 28.497 13.367 -10.040 1.00 0.00 N ATOM 2076 OXT ARG A 66 26.045 10.149 -10.902 1.00 0.00 O ATOM 0 H ARG A 66 22.488 12.339 -11.800 1.00 0.00 H new ATOM 0 HA ARG A 66 25.287 12.663 -11.504 1.00 0.00 H new ATOM 0 HB2 ARG A 66 23.115 11.435 -9.753 1.00 0.00 H new ATOM 0 HB3 ARG A 66 24.779 11.533 -9.212 1.00 0.00 H new ATOM 0 HG2 ARG A 66 23.485 14.044 -10.319 1.00 0.00 H new ATOM 0 HG3 ARG A 66 23.036 13.525 -8.706 1.00 0.00 H new ATOM 0 HD2 ARG A 66 25.161 15.137 -9.103 1.00 0.00 H new ATOM 0 HD3 ARG A 66 25.163 13.943 -7.819 1.00 0.00 H new ATOM 0 HE ARG A 66 26.183 12.491 -9.986 1.00 0.00 H new ATOM 0 HH11 ARG A 66 26.816 15.586 -8.492 1.00 0.00 H new ATOM 0 HH12 ARG A 66 28.538 15.564 -8.886 1.00 0.00 H new ATOM 0 HH21 ARG A 66 28.379 12.462 -10.496 1.00 0.00 H new ATOM 0 HH22 ARG A 66 29.416 13.808 -10.013 1.00 0.00 H new TER 2090 ARG A 66 HETATM 2091 ZN ZN A 67 -12.047 3.260 1.757 1.00 0.00 ZN