USER MOD reduce.3.24.130724 H: found=0, std=0, add=216, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 224 hydrogens (224 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 NoAdj-H: A 2 GPNH1'3 : A 2 GPN N1' : A 1 ACE C :...(NH2R) USER MOD NoAdj-H: A 2 GPNH1'1 : A 2 GPN N1' : A 1 ACE C :...(NH2R) USER MOD NoAdj-H: A 3 GPNH1'2 : A 3 GPN N1' : A 3 GPN C2' :...(NH2R) USER MOD NoAdj-H: A 3 GPNH1'1 : A 3 GPN N1' : A 3 GPN C2' :...(NH2R) USER MOD NoAdj-H: A 4 CPNH1'2 : A 4 CPN N1' : A 4 CPN C2' :...(NH2R) USER MOD NoAdj-H: A 4 CPNH1'1 : A 4 CPN N1' : A 4 CPN C2' :...(NH2R) USER MOD NoAdj-H: A 5 APNH1'2 : A 5 APN N1' : A 4 CPN C' :...(NH2R) USER MOD NoAdj-H: A 5 APNH1'1 : A 5 APN N1' : A 4 CPN C' :...(NH2R) USER MOD NoAdj-H: A 6 TPNH1'2 : A 6 TPN N1' : A 6 TPN C2' :...(NH2R) USER MOD NoAdj-H: A 6 TPNH1'1 : A 6 TPN N1' : A 6 TPN C2' :...(NH2R) USER MOD NoAdj-H: A 7 GPNH1'2 : A 7 GPN N1' : A 6 TPN C' :...(NH2R) USER MOD NoAdj-H: A 7 GPNH1'1 : A 7 GPN N1' : A 6 TPN C' :...(NH2R) USER MOD NoAdj-H: A 8 CPNH1'2 : A 8 CPN N1' : A 7 GPN C' :...(NH2R) USER MOD NoAdj-H: A 8 CPNH1'1 : A 8 CPN N1' : A 7 GPN C' :...(NH2R) USER MOD NoAdj-H: A 9 CPNH1'3 : A 9 CPN N1' : A 8 CPN C' :...(NH2R) USER MOD NoAdj-H: A 9 CPNH1'1 : A 9 CPN N1' : A 8 CPN C' :...(NH2R) USER MOD NoAdj-H: B 2 GPNH1'3 : B 2 GPN N1' : B 1 ACE C :...(NH2R) USER MOD NoAdj-H: B 2 GPNH1'1 : B 2 GPN N1' : B 1 ACE C :...(NH2R) USER MOD NoAdj-H: B 3 GPNH1'2 : B 3 GPN N1' : B 3 GPN C2' :...(NH2R) USER MOD NoAdj-H: B 3 GPNH1'1 : B 3 GPN N1' : B 3 GPN C2' :...(NH2R) USER MOD NoAdj-H: B 4 CPNH1'3 : B 4 CPN N1' : B 4 CPN C2' :...(NH2R) USER MOD NoAdj-H: B 4 CPNH1'1 : B 4 CPN N1' : B 4 CPN C2' :...(NH2R) USER MOD NoAdj-H: B 5 APNH1'2 : B 5 APN N1' : B 5 APN C2' :...(NH2R) USER MOD NoAdj-H: B 5 APNH1'1 : B 5 APN N1' : B 5 APN C2' :...(NH2R) USER MOD NoAdj-H: B 6 TPNH1'3 : B 6 TPN N1' : B 6 TPN C2' :...(NH2R) USER MOD NoAdj-H: B 6 TPNH1'1 : B 6 TPN N1' : B 6 TPN C2' :...(NH2R) USER MOD NoAdj-H: B 7 GPNH1'2 : B 7 GPN N1' : B 7 GPN C2' :...(NH2R) USER MOD NoAdj-H: B 7 GPNH1'1 : B 7 GPN N1' : B 7 GPN C2' :...(NH2R) USER MOD NoAdj-H: B 8 CPNH1'2 : B 8 CPN N1' : B 8 CPN C2' :...(NH2R) USER MOD NoAdj-H: B 8 CPNH1'1 : B 8 CPN N1' : B 8 CPN C2' :...(NH2R) USER MOD NoAdj-H: B 9 CPNH1'2 : B 9 CPN N1' : B 9 CPN C2' :...(NH2R) USER MOD NoAdj-H: B 9 CPNH1'1 : B 9 CPN N1' : B 9 CPN C2' :...(NH2R) USER MOD Set 1.1: A 2 GPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 3 GPN N1' :NH3+ 177:sc= 0 (180deg=0) USER MOD Single : A 4 CPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 APN N1' :NH3+ 169:sc= 0 (180deg=-0.149) USER MOD Single : A 6 TPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 GPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 GPN N1' :NH3+ 180:sc= -0.18 (180deg=-0.18) USER MOD Single : B 4 CPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 APN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 TPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 GPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 CPN N1' :NH3+ 169:sc= -0.0309 (180deg=-0.204) USER MOD Single : B 9 CPN N1' :NH3+ 173:sc= 0 (180deg=-0.0465) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 19.492 5.895 -7.637 1.00 0.00 C HETATM 2 O ACE A 1 19.049 6.969 -8.046 1.00 0.00 O HETATM 3 CH3 ACE A 1 20.909 5.839 -7.087 1.00 0.00 C HETATM 0 H1 ACE A 1 20.884 5.506 -6.049 1.00 0.00 H new HETATM 0 H2 ACE A 1 21.501 5.141 -7.678 1.00 0.00 H new HETATM 0 H3 ACE A 1 21.359 6.830 -7.139 1.00 0.00 H new HETATM 7 C8' GPN A 2 17.656 0.711 -5.523 1.00 0.00 C HETATM 8 C7' GPN A 2 16.603 1.425 -6.405 1.00 0.00 C HETATM 9 O7' GPN A 2 15.399 1.280 -6.164 1.00 0.00 O HETATM 10 C5' GPN A 2 15.978 2.822 -8.328 1.00 0.00 C HETATM 11 C' GPN A 2 15.319 4.115 -7.821 1.00 0.00 C HETATM 12 O1' GPN A 2 14.528 4.704 -8.566 1.00 0.00 O HETATM 13 N4' GPN A 2 16.995 2.217 -7.434 1.00 0.00 N HETATM 14 C3' GPN A 2 18.385 2.312 -7.890 1.00 0.00 C HETATM 15 C2' GPN A 2 19.135 3.435 -7.169 1.00 0.00 C HETATM 16 N1' GPN A 2 18.759 4.770 -7.680 1.00 0.00 N HETATM 17 N9 GPN A 2 17.050 -0.310 -4.629 1.00 0.00 N HETATM 18 C8 GPN A 2 16.808 -1.632 -4.920 1.00 0.00 C HETATM 19 N7 GPN A 2 16.226 -2.294 -3.958 1.00 0.00 N HETATM 20 C5 GPN A 2 16.064 -1.340 -2.946 1.00 0.00 C HETATM 21 C6 GPN A 2 15.477 -1.444 -1.632 1.00 0.00 C HETATM 22 O6 GPN A 2 14.984 -2.427 -1.071 1.00 0.00 O HETATM 23 N1 GPN A 2 15.494 -0.249 -0.930 1.00 0.00 N HETATM 24 C2 GPN A 2 16.022 0.922 -1.409 1.00 0.00 C HETATM 25 N2 GPN A 2 15.944 2.003 -0.658 1.00 0.00 N HETATM 26 N3 GPN A 2 16.610 1.043 -2.611 1.00 0.00 N HETATM 27 C4 GPN A 2 16.585 -0.121 -3.342 1.00 0.00 C HETATM 0 HN22 GPN A 2 16.330 2.886 -0.993 1.00 0.00 H new HETATM 0 HN21 GPN A 2 15.498 1.956 0.258 1.00 0.00 H new HETATM 0 H8'2 GPN A 2 18.399 0.234 -6.163 1.00 0.00 H new HETATM 0 H8'1 GPN A 2 18.183 1.451 -4.920 1.00 0.00 H new HETATM 0 H5'2 GPN A 2 15.195 2.085 -8.507 1.00 0.00 H new HETATM 0 H5'1 GPN A 2 16.446 3.029 -9.290 1.00 0.00 H new HETATM 0 H3'2 GPN A 2 18.892 1.363 -7.715 1.00 0.00 H new HETATM 0 H3'1 GPN A 2 18.405 2.491 -8.965 1.00 0.00 H new HETATM 0 H2'2 GPN A 2 18.925 3.383 -6.101 1.00 0.00 H new HETATM 0 H2'1 GPN A 2 20.208 3.290 -7.290 1.00 0.00 H new HETATM 0 H1'2 GPN A 2 19.280 5.487 -7.175 1.00 0.00 H new HETATM 0 HN1 GPN A 2 15.087 -0.240 0.005 1.00 0.00 H new HETATM 0 H8 GPN A 2 17.079 -2.088 -5.872 1.00 0.00 H new HETATM 41 C8' GPN A 3 13.826 3.169 -3.761 1.00 0.00 C HETATM 42 C7' GPN A 3 12.840 3.908 -4.693 1.00 0.00 C HETATM 43 O7' GPN A 3 11.792 3.349 -5.037 1.00 0.00 O HETATM 44 C5' GPN A 3 12.146 5.922 -5.939 1.00 0.00 C HETATM 45 C' GPN A 3 11.300 6.967 -5.193 1.00 0.00 C HETATM 46 O1' GPN A 3 10.539 7.688 -5.849 1.00 0.00 O HETATM 47 N4' GPN A 3 13.120 5.167 -5.112 1.00 0.00 N HETATM 48 C3' GPN A 3 14.387 5.857 -4.836 1.00 0.00 C HETATM 49 C2' GPN A 3 15.296 5.917 -6.070 1.00 0.00 C HETATM 50 N1' GPN A 3 15.663 4.588 -6.606 1.00 0.00 N HETATM 51 N9 GPN A 3 13.246 1.929 -3.190 1.00 0.00 N HETATM 52 C8 GPN A 3 13.162 0.683 -3.765 1.00 0.00 C HETATM 53 N7 GPN A 3 12.552 -0.208 -3.030 1.00 0.00 N HETATM 54 C5 GPN A 3 12.203 0.501 -1.875 1.00 0.00 C HETATM 55 C6 GPN A 3 11.492 0.096 -0.690 1.00 0.00 C HETATM 56 O6 GPN A 3 11.018 -1.009 -0.404 1.00 0.00 O HETATM 57 N1 GPN A 3 11.320 1.124 0.223 1.00 0.00 N HETATM 58 C2 GPN A 3 11.786 2.400 0.047 1.00 0.00 C HETATM 59 N2 GPN A 3 11.519 3.315 0.953 1.00 0.00 N HETATM 60 N3 GPN A 3 12.465 2.804 -1.029 1.00 0.00 N HETATM 61 C4 GPN A 3 12.635 1.812 -1.962 1.00 0.00 C HETATM 0 HN22 GPN A 3 11.861 4.268 0.832 1.00 0.00 H new HETATM 0 HN21 GPN A 3 10.970 3.072 1.777 1.00 0.00 H new HETATM 0 H8'2 GPN A 3 14.730 2.921 -4.317 1.00 0.00 H new HETATM 0 H8'1 GPN A 3 14.123 3.834 -2.950 1.00 0.00 H new HETATM 0 H5'2 GPN A 3 11.472 5.209 -6.414 1.00 0.00 H new HETATM 0 H5'1 GPN A 3 12.690 6.426 -6.737 1.00 0.00 H new HETATM 0 H3'2 GPN A 3 14.179 6.870 -4.491 1.00 0.00 H new HETATM 0 H3'1 GPN A 3 14.909 5.345 -4.027 1.00 0.00 H new HETATM 0 H2'2 GPN A 3 14.795 6.488 -6.852 1.00 0.00 H new HETATM 0 H2'1 GPN A 3 16.206 6.459 -5.813 1.00 0.00 H new HETATM 0 H1'3 GPN A 3 16.224 4.704 -7.450 1.00 0.00 H new HETATM 0 HN1 GPN A 3 10.813 0.917 1.083 1.00 0.00 H new HETATM 0 H8 GPN A 3 13.570 0.458 -4.750 1.00 0.00 H new HETATM 75 C8' CPN A 4 9.506 4.797 -1.773 1.00 0.00 C HETATM 76 C7' CPN A 4 8.500 5.740 -2.471 1.00 0.00 C HETATM 77 O7' CPN A 4 7.488 5.254 -2.985 1.00 0.00 O HETATM 78 C5' CPN A 4 7.758 7.986 -3.171 1.00 0.00 C HETATM 79 C' CPN A 4 6.875 8.852 -2.258 1.00 0.00 C HETATM 80 O1' CPN A 4 6.182 9.735 -2.774 1.00 0.00 O HETATM 81 N4' CPN A 4 8.720 7.077 -2.494 1.00 0.00 N HETATM 82 C3' CPN A 4 9.920 7.721 -1.940 1.00 0.00 C HETATM 83 C2' CPN A 4 10.891 8.185 -3.033 1.00 0.00 C HETATM 84 N1' CPN A 4 11.440 7.086 -3.856 1.00 0.00 N HETATM 85 N1 CPN A 4 9.029 3.384 -1.683 1.00 0.00 N HETATM 86 C2 CPN A 4 8.303 2.980 -0.564 1.00 0.00 C HETATM 87 N3 CPN A 4 7.889 1.700 -0.441 1.00 0.00 N HETATM 88 C4 CPN A 4 8.158 0.848 -1.413 1.00 0.00 C HETATM 89 C5 CPN A 4 8.884 1.206 -2.584 1.00 0.00 C HETATM 90 C6 CPN A 4 9.308 2.489 -2.686 1.00 0.00 C HETATM 91 O2 CPN A 4 8.015 3.758 0.349 1.00 0.00 O HETATM 92 N4 CPN A 4 7.710 -0.372 -1.259 1.00 0.00 N HETATM 0 HN42 CPN A 4 7.887 -1.075 -1.977 1.00 0.00 H new HETATM 0 HN41 CPN A 4 7.184 -0.620 -0.421 1.00 0.00 H new HETATM 0 H8'2 CPN A 4 10.451 4.820 -2.316 1.00 0.00 H new HETATM 0 H8'1 CPN A 4 9.706 5.170 -0.769 1.00 0.00 H new HETATM 0 H5'2 CPN A 4 7.107 7.383 -3.804 1.00 0.00 H new HETATM 0 H5'1 CPN A 4 8.320 8.648 -3.830 1.00 0.00 H new HETATM 0 H3'2 CPN A 4 9.623 8.577 -1.334 1.00 0.00 H new HETATM 0 H3'1 CPN A 4 10.430 7.023 -1.277 1.00 0.00 H new HETATM 0 H2'2 CPN A 4 10.377 8.892 -3.685 1.00 0.00 H new HETATM 0 H2'1 CPN A 4 11.716 8.723 -2.567 1.00 0.00 H new HETATM 0 H1'3 CPN A 4 12.074 7.470 -4.557 1.00 0.00 H new HETATM 0 H6 CPN A 4 9.870 2.810 -3.563 1.00 0.00 H new HETATM 0 H5 CPN A 4 9.091 0.477 -3.368 1.00 0.00 H new HETATM 106 C8' APN A 5 4.881 5.960 0.206 1.00 0.00 C HETATM 107 C7' APN A 5 3.979 7.008 -0.487 1.00 0.00 C HETATM 108 O7' APN A 5 3.186 6.638 -1.358 1.00 0.00 O HETATM 109 C5' APN A 5 3.225 9.336 -0.808 1.00 0.00 C HETATM 110 C' APN A 5 1.989 9.841 -0.043 1.00 0.00 C HETATM 111 O1' APN A 5 1.177 10.551 -0.647 1.00 0.00 O HETATM 112 N4' APN A 5 4.065 8.315 -0.132 1.00 0.00 N HETATM 113 C3' APN A 5 5.068 8.832 0.810 1.00 0.00 C HETATM 114 C2' APN A 5 6.249 9.498 0.089 1.00 0.00 C HETATM 115 N1' APN A 5 6.901 8.640 -0.924 1.00 0.00 N HETATM 116 N9 APN A 5 4.526 4.560 -0.126 1.00 0.00 N HETATM 117 C8 APN A 5 5.064 3.741 -1.087 1.00 0.00 C HETATM 118 N7 APN A 5 4.608 2.517 -1.064 1.00 0.00 N HETATM 119 C5 APN A 5 3.660 2.544 -0.033 1.00 0.00 C HETATM 120 C6 APN A 5 2.764 1.599 0.532 1.00 0.00 C HETATM 121 N6 APN A 5 2.656 0.338 0.161 1.00 0.00 N HETATM 122 N1 APN A 5 1.907 1.960 1.492 1.00 0.00 N HETATM 123 C2 APN A 5 1.943 3.223 1.904 1.00 0.00 C HETATM 124 N3 APN A 5 2.739 4.207 1.499 1.00 0.00 N HETATM 125 C4 APN A 5 3.585 3.797 0.517 1.00 0.00 C HETATM 0 HN62 APN A 5 1.983 -0.274 0.623 1.00 0.00 H new HETATM 0 HN61 APN A 5 3.245 -0.026 -0.588 1.00 0.00 H new HETATM 0 H8'2 APN A 5 5.918 6.140 -0.078 1.00 0.00 H new HETATM 0 H8'1 APN A 5 4.818 6.096 1.286 1.00 0.00 H new HETATM 0 H5'2 APN A 5 2.889 8.923 -1.759 1.00 0.00 H new HETATM 0 H5'1 APN A 5 3.855 10.195 -1.038 1.00 0.00 H new HETATM 0 H3'2 APN A 5 4.599 9.554 1.479 1.00 0.00 H new HETATM 0 H3'1 APN A 5 5.437 8.015 1.431 1.00 0.00 H new HETATM 0 H2'2 APN A 5 5.898 10.410 -0.395 1.00 0.00 H new HETATM 0 H2'1 APN A 5 6.992 9.796 0.829 1.00 0.00 H new HETATM 0 H1'3 APN A 5 7.546 9.201 -1.481 1.00 0.00 H new HETATM 0 H8 APN A 5 5.808 4.082 -1.807 1.00 0.00 H new HETATM 0 H2 APN A 5 1.223 3.487 2.678 1.00 0.00 H new HETATM 139 C8' TPN A 6 -0.144 6.547 1.356 1.00 0.00 C HETATM 140 C7' TPN A 6 -1.153 7.620 0.903 1.00 0.00 C HETATM 141 O7' TPN A 6 -1.961 7.357 0.006 1.00 0.00 O HETATM 142 C5' TPN A 6 -2.116 9.870 1.074 1.00 0.00 C HETATM 143 C' TPN A 6 -3.523 9.769 1.689 1.00 0.00 C HETATM 144 O1' TPN A 6 -4.413 10.510 1.261 1.00 0.00 O HETATM 145 N4' TPN A 6 -1.157 8.830 1.509 1.00 0.00 N HETATM 146 C3' TPN A 6 -0.275 9.202 2.622 1.00 0.00 C HETATM 147 C2' TPN A 6 0.856 10.137 2.178 1.00 0.00 C HETATM 148 N1' TPN A 6 1.835 9.517 1.257 1.00 0.00 N HETATM 149 N1 TPN A 6 -0.330 5.251 0.649 1.00 0.00 N HETATM 150 C6 TPN A 6 0.338 5.016 -0.534 1.00 0.00 C HETATM 151 C2 TPN A 6 -1.089 4.252 1.273 1.00 0.00 C HETATM 152 O2 TPN A 6 -1.667 4.401 2.346 1.00 0.00 O HETATM 153 N3 TPN A 6 -1.132 3.030 0.642 1.00 0.00 N HETATM 154 C4 TPN A 6 -0.499 2.709 -0.536 1.00 0.00 C HETATM 155 O4 TPN A 6 -0.618 1.568 -0.984 1.00 0.00 O HETATM 156 C5 TPN A 6 0.288 3.792 -1.121 1.00 0.00 C HETATM 157 C5M TPN A 6 1.119 3.515 -2.349 1.00 0.00 C HETATM 0 HM53 TPN A 6 0.833 4.202 -3.145 1.00 0.00 H new HETATM 0 HM52 TPN A 6 2.174 3.653 -2.113 1.00 0.00 H new HETATM 0 HM51 TPN A 6 0.952 2.489 -2.678 1.00 0.00 H new HETATM 0 H8'2 TPN A 6 0.869 6.910 1.181 1.00 0.00 H new HETATM 0 H8'1 TPN A 6 -0.245 6.389 2.430 1.00 0.00 H new HETATM 0 H5'2 TPN A 6 -2.208 9.824 -0.011 1.00 0.00 H new HETATM 0 H5'1 TPN A 6 -1.701 10.848 1.318 1.00 0.00 H new HETATM 0 H3'2 TPN A 6 -0.862 9.689 3.401 1.00 0.00 H new HETATM 0 H3'1 TPN A 6 0.153 8.301 3.061 1.00 0.00 H new HETATM 0 H2'2 TPN A 6 0.420 11.010 1.692 1.00 0.00 H new HETATM 0 H2'1 TPN A 6 1.383 10.495 3.062 1.00 0.00 H new HETATM 0 H1'3 TPN A 6 2.551 10.201 1.010 1.00 0.00 H new HETATM 0 HN3 TPN A 6 -1.683 2.296 1.088 1.00 0.00 H new HETATM 0 H6 TPN A 6 0.910 5.818 -1.001 1.00 0.00 H new HETATM 172 C8' GPN A 7 -4.602 5.492 1.481 1.00 0.00 C HETATM 173 C7' GPN A 7 -5.807 6.408 1.169 1.00 0.00 C HETATM 174 O7' GPN A 7 -6.342 6.337 0.056 1.00 0.00 O HETATM 175 C5' GPN A 7 -7.484 8.089 1.833 1.00 0.00 C HETATM 176 C' GPN A 7 -8.793 7.602 2.478 1.00 0.00 C HETATM 177 O1' GPN A 7 -9.807 8.299 2.358 1.00 0.00 O HETATM 178 N4' GPN A 7 -6.281 7.264 2.111 1.00 0.00 N HETATM 179 C3' GPN A 7 -5.668 7.467 3.431 1.00 0.00 C HETATM 180 C2' GPN A 7 -4.936 8.810 3.535 1.00 0.00 C HETATM 181 N1' GPN A 7 -3.726 8.891 2.693 1.00 0.00 N HETATM 182 N9 GPN A 7 -4.509 4.350 0.536 1.00 0.00 N HETATM 183 C8 GPN A 7 -3.890 4.295 -0.692 1.00 0.00 C HETATM 184 N7 GPN A 7 -4.042 3.159 -1.316 1.00 0.00 N HETATM 185 C5 GPN A 7 -4.822 2.396 -0.437 1.00 0.00 C HETATM 186 C6 GPN A 7 -5.361 1.065 -0.553 1.00 0.00 C HETATM 187 O6 GPN A 7 -5.266 0.260 -1.485 1.00 0.00 O HETATM 188 N1 GPN A 7 -6.090 0.672 0.561 1.00 0.00 N HETATM 189 C2 GPN A 7 -6.296 1.452 1.665 1.00 0.00 C HETATM 190 N2 GPN A 7 -7.022 0.982 2.657 1.00 0.00 N HETATM 191 N3 GPN A 7 -5.833 2.699 1.793 1.00 0.00 N HETATM 192 C4 GPN A 7 -5.097 3.116 0.710 1.00 0.00 C HETATM 0 HN22 GPN A 7 -7.183 1.554 3.486 1.00 0.00 H new HETATM 0 HN21 GPN A 7 -7.423 0.046 2.597 1.00 0.00 H new HETATM 0 H8'2 GPN A 7 -3.682 6.075 1.436 1.00 0.00 H new HETATM 0 H8'1 GPN A 7 -4.689 5.113 2.499 1.00 0.00 H new HETATM 0 H5'2 GPN A 7 -7.628 8.135 0.754 1.00 0.00 H new HETATM 0 H5'1 GPN A 7 -7.290 9.106 2.173 1.00 0.00 H new HETATM 0 H3'2 GPN A 7 -6.440 7.417 4.199 1.00 0.00 H new HETATM 0 H3'1 GPN A 7 -4.966 6.657 3.631 1.00 0.00 H new HETATM 0 H2'2 GPN A 7 -5.620 9.610 3.251 1.00 0.00 H new HETATM 0 H2'1 GPN A 7 -4.657 8.983 4.575 1.00 0.00 H new HETATM 0 H1'3 GPN A 7 -3.291 9.806 2.810 1.00 0.00 H new HETATM 0 HN1 GPN A 7 -6.500 -0.262 0.556 1.00 0.00 H new HETATM 0 H8 GPN A 7 -3.322 5.128 -1.107 1.00 0.00 H new HETATM 206 C8' CPN A 8 -9.061 3.647 1.040 1.00 0.00 C HETATM 207 C7' CPN A 8 -10.507 4.177 1.144 1.00 0.00 C HETATM 208 O7' CPN A 8 -11.179 4.283 0.113 1.00 0.00 O HETATM 209 C5' CPN A 8 -12.483 4.733 2.488 1.00 0.00 C HETATM 210 C' CPN A 8 -13.290 3.436 2.664 1.00 0.00 C HETATM 211 O1' CPN A 8 -12.728 2.372 2.950 1.00 0.00 O HETATM 212 N4' CPN A 8 -11.032 4.488 2.352 1.00 0.00 N HETATM 213 C3' CPN A 8 -10.292 4.495 3.615 1.00 0.00 C HETATM 214 C2' CPN A 8 -9.890 5.923 3.997 1.00 0.00 C HETATM 215 N1' CPN A 8 -8.783 6.446 3.172 1.00 0.00 N HETATM 216 N1 CPN A 8 -8.809 2.911 -0.232 1.00 0.00 N HETATM 217 C2 CPN A 8 -9.391 1.654 -0.400 1.00 0.00 C HETATM 218 N3 CPN A 8 -9.187 0.958 -1.538 1.00 0.00 N HETATM 219 C4 CPN A 8 -8.424 1.481 -2.477 1.00 0.00 C HETATM 220 C5 CPN A 8 -7.806 2.759 -2.363 1.00 0.00 C HETATM 221 C6 CPN A 8 -8.023 3.453 -1.219 1.00 0.00 C HETATM 222 O2 CPN A 8 -10.095 1.131 0.465 1.00 0.00 O HETATM 223 N4 CPN A 8 -8.275 0.754 -3.554 1.00 0.00 N HETATM 0 HN42 CPN A 8 -7.698 1.094 -4.323 1.00 0.00 H new HETATM 0 HN41 CPN A 8 -8.736 -0.153 -3.625 1.00 0.00 H new HETATM 0 H8'2 CPN A 8 -8.366 4.483 1.115 1.00 0.00 H new HETATM 0 H8'1 CPN A 8 -8.859 2.987 1.883 1.00 0.00 H new HETATM 0 H5'2 CPN A 8 -12.842 5.263 1.606 1.00 0.00 H new HETATM 0 H5'1 CPN A 8 -12.659 5.384 3.344 1.00 0.00 H new HETATM 0 H3'2 CPN A 8 -10.905 4.061 4.404 1.00 0.00 H new HETATM 0 H3'1 CPN A 8 -9.402 3.873 3.524 1.00 0.00 H new HETATM 0 H2'2 CPN A 8 -10.755 6.579 3.894 1.00 0.00 H new HETATM 0 H2'1 CPN A 8 -9.596 5.944 5.047 1.00 0.00 H new HETATM 0 H1'3 CPN A 8 -8.557 7.396 3.468 1.00 0.00 H new HETATM 0 H6 CPN A 8 -7.575 4.437 -1.083 1.00 0.00 H new HETATM 0 H5 CPN A 8 -7.184 3.162 -3.162 1.00 0.00 H new HETATM 237 C8' CPN A 9 -13.684 2.002 -0.599 1.00 0.00 C HETATM 238 C7' CPN A 9 -15.154 2.473 -0.637 1.00 0.00 C HETATM 239 O7' CPN A 9 -15.510 3.137 -1.617 1.00 0.00 O HETATM 240 C5' CPN A 9 -17.475 2.458 0.165 1.00 0.00 C HETATM 241 C' CPN A 9 -18.210 1.572 -0.854 1.00 0.00 C HETATM 242 O1' CPN A 9 -19.347 1.887 -1.214 1.00 0.00 O HETATM 243 N4' CPN A 9 -16.040 2.143 0.335 1.00 0.00 N HETATM 244 C3' CPN A 9 -15.717 1.453 1.585 1.00 0.00 C HETATM 245 C2' CPN A 9 -15.600 2.453 2.743 1.00 0.00 C HETATM 246 N1' CPN A 9 -14.620 3.529 2.489 1.00 0.00 N HETATM 247 N1 CPN A 9 -13.395 1.051 -1.710 1.00 0.00 N HETATM 248 C2 CPN A 9 -14.079 -0.165 -1.749 1.00 0.00 C HETATM 249 N3 CPN A 9 -13.947 -0.988 -2.810 1.00 0.00 N HETATM 250 C4 CPN A 9 -13.145 -0.631 -3.794 1.00 0.00 C HETATM 251 C5 CPN A 9 -12.389 0.576 -3.790 1.00 0.00 C HETATM 252 C6 CPN A 9 -12.539 1.401 -2.725 1.00 0.00 C HETATM 253 O2 CPN A 9 -14.813 -0.526 -0.828 1.00 0.00 O HETATM 254 N4 CPN A 9 -13.071 -1.472 -4.792 1.00 0.00 N HETATM 0 HN42 CPN A 9 -12.471 -1.265 -5.590 1.00 0.00 H new HETATM 0 HN41 CPN A 9 -13.613 -2.336 -4.772 1.00 0.00 H new HETATM 0 H8'2 CPN A 9 -13.021 2.864 -0.673 1.00 0.00 H new HETATM 0 H8'1 CPN A 9 -13.478 1.522 0.358 1.00 0.00 H new HETATM 0 H5'2 CPN A 9 -17.571 3.499 -0.143 1.00 0.00 H new HETATM 0 H5'1 CPN A 9 -17.971 2.365 1.131 1.00 0.00 H new HETATM 0 H3'2 CPN A 9 -16.489 0.717 1.810 1.00 0.00 H new HETATM 0 H3'1 CPN A 9 -14.780 0.907 1.473 1.00 0.00 H new HETATM 0 H2'2 CPN A 9 -16.577 2.898 2.930 1.00 0.00 H new HETATM 0 H2'1 CPN A 9 -15.315 1.918 3.649 1.00 0.00 H new HETATM 0 H1'2 CPN A 9 -14.589 4.158 3.292 1.00 0.00 H new HETATM 0 H6 CPN A 9 -11.983 2.337 -2.675 1.00 0.00 H new HETATM 0 H5 CPN A 9 -11.717 0.826 -4.611 1.00 0.00 H new TER 268 CPN A 9 HETATM 269 C ACE B 1 -19.982 -2.563 1.518 1.00 0.00 C HETATM 270 O ACE B 1 -19.456 -2.126 2.542 1.00 0.00 O HETATM 271 CH3 ACE B 1 -20.519 -1.563 0.501 1.00 0.00 C HETATM 0 H1 ACE B 1 -20.009 -1.704 -0.452 1.00 0.00 H new HETATM 0 H2 ACE B 1 -21.589 -1.720 0.367 1.00 0.00 H new HETATM 0 H3 ACE B 1 -20.343 -0.549 0.860 1.00 0.00 H new HETATM 275 C8' GPN B 2 -19.286 -6.883 -2.065 1.00 0.00 C HETATM 276 C7' GPN B 2 -18.894 -7.298 -0.630 1.00 0.00 C HETATM 277 O7' GPN B 2 -18.005 -8.149 -0.489 1.00 0.00 O HETATM 278 C5' GPN B 2 -19.198 -7.192 1.827 1.00 0.00 C HETATM 279 C' GPN B 2 -17.774 -6.922 2.343 1.00 0.00 C HETATM 280 O1' GPN B 2 -17.499 -7.269 3.497 1.00 0.00 O HETATM 281 N4' GPN B 2 -19.530 -6.768 0.446 1.00 0.00 N HETATM 282 C3' GPN B 2 -20.809 -6.067 0.320 1.00 0.00 C HETATM 283 C2' GPN B 2 -20.622 -4.561 0.105 1.00 0.00 C HETATM 284 N1' GPN B 2 -20.082 -3.886 1.299 1.00 0.00 N HETATM 285 N9 GPN B 2 -18.121 -6.450 -2.871 1.00 0.00 N HETATM 286 C8 GPN B 2 -17.786 -6.869 -4.136 1.00 0.00 C HETATM 287 N7 GPN B 2 -16.800 -6.207 -4.676 1.00 0.00 N HETATM 288 C5 GPN B 2 -16.443 -5.277 -3.692 1.00 0.00 C HETATM 289 C6 GPN B 2 -15.452 -4.232 -3.694 1.00 0.00 C HETATM 290 O6 GPN B 2 -14.668 -3.899 -4.588 1.00 0.00 O HETATM 291 N1 GPN B 2 -15.416 -3.511 -2.513 1.00 0.00 N HETATM 292 C2 GPN B 2 -16.227 -3.750 -1.437 1.00 0.00 C HETATM 293 N2 GPN B 2 -16.099 -2.988 -0.371 1.00 0.00 N HETATM 294 N3 GPN B 2 -17.163 -4.710 -1.402 1.00 0.00 N HETATM 295 C4 GPN B 2 -17.231 -5.437 -2.566 1.00 0.00 C HETATM 0 HN22 GPN B 2 -16.692 -3.147 0.443 1.00 0.00 H new HETATM 0 HN21 GPN B 2 -15.407 -2.239 -0.360 1.00 0.00 H new HETATM 0 H8'2 GPN B 2 -19.775 -7.722 -2.561 1.00 0.00 H new HETATM 0 H8'1 GPN B 2 -20.013 -6.072 -2.019 1.00 0.00 H new HETATM 0 H5'2 GPN B 2 -19.382 -8.264 1.901 1.00 0.00 H new HETATM 0 H5'1 GPN B 2 -19.897 -6.701 2.504 1.00 0.00 H new HETATM 0 H3'2 GPN B 2 -21.370 -6.485 -0.516 1.00 0.00 H new HETATM 0 H3'1 GPN B 2 -21.403 -6.234 1.218 1.00 0.00 H new HETATM 0 H2'2 GPN B 2 -19.949 -4.398 -0.737 1.00 0.00 H new HETATM 0 H2'1 GPN B 2 -21.580 -4.113 -0.161 1.00 0.00 H new HETATM 0 H1'2 GPN B 2 -19.976 -2.890 1.108 1.00 0.00 H new HETATM 0 HN1 GPN B 2 -14.740 -2.751 -2.440 1.00 0.00 H new HETATM 0 H8 GPN B 2 -18.300 -7.685 -4.645 1.00 0.00 H new HETATM 309 C8' GPN B 3 -13.323 -5.928 -0.878 1.00 0.00 C HETATM 310 C7' GPN B 3 -12.569 -6.642 0.270 1.00 0.00 C HETATM 311 O7' GPN B 3 -11.333 -6.610 0.322 1.00 0.00 O HETATM 312 C5' GPN B 3 -12.624 -8.162 2.227 1.00 0.00 C HETATM 313 C' GPN B 3 -12.600 -7.526 3.618 1.00 0.00 C HETATM 314 O1' GPN B 3 -13.377 -7.925 4.492 1.00 0.00 O HETATM 315 N4' GPN B 3 -13.279 -7.318 1.204 1.00 0.00 N HETATM 316 C3' GPN B 3 -14.732 -7.454 1.130 1.00 0.00 C HETATM 317 C2' GPN B 3 -15.422 -6.264 1.801 1.00 0.00 C HETATM 318 N1' GPN B 3 -16.869 -6.343 1.532 1.00 0.00 N HETATM 319 N9 GPN B 3 -12.445 -5.121 -1.752 1.00 0.00 N HETATM 320 C8 GPN B 3 -11.960 -5.450 -2.995 1.00 0.00 C HETATM 321 N7 GPN B 3 -11.197 -4.537 -3.530 1.00 0.00 N HETATM 322 C5 GPN B 3 -11.181 -3.516 -2.571 1.00 0.00 C HETATM 323 C6 GPN B 3 -10.511 -2.242 -2.555 1.00 0.00 C HETATM 324 O6 GPN B 3 -9.783 -1.736 -3.415 1.00 0.00 O HETATM 325 N1 GPN B 3 -10.735 -1.522 -1.393 1.00 0.00 N HETATM 326 C2 GPN B 3 -11.534 -1.943 -0.364 1.00 0.00 C HETATM 327 N2 GPN B 3 -11.668 -1.174 0.698 1.00 0.00 N HETATM 328 N3 GPN B 3 -12.190 -3.109 -0.356 1.00 0.00 N HETATM 329 C4 GPN B 3 -11.963 -3.859 -1.483 1.00 0.00 C HETATM 0 HN22 GPN B 3 -12.260 -1.473 1.473 1.00 0.00 H new HETATM 0 HN21 GPN B 3 -11.180 -0.279 0.745 1.00 0.00 H new HETATM 0 H8'2 GPN B 3 -13.837 -6.675 -1.483 1.00 0.00 H new HETATM 0 H8'1 GPN B 3 -14.090 -5.281 -0.451 1.00 0.00 H new HETATM 0 H5'2 GPN B 3 -11.601 -8.371 1.914 1.00 0.00 H new HETATM 0 H5'1 GPN B 3 -13.142 -9.119 2.283 1.00 0.00 H new HETATM 0 H3'2 GPN B 3 -15.043 -7.521 0.088 1.00 0.00 H new HETATM 0 H3'1 GPN B 3 -15.041 -8.380 1.615 1.00 0.00 H new HETATM 0 H2'2 GPN B 3 -15.236 -6.276 2.875 1.00 0.00 H new HETATM 0 H2'1 GPN B 3 -15.017 -5.327 1.418 1.00 0.00 H new HETATM 0 H1'3 GPN B 3 -17.341 -5.554 1.974 1.00 0.00 H new HETATM 0 HN1 GPN B 3 -10.274 -0.617 -1.298 1.00 0.00 H new HETATM 0 H8 GPN B 3 -12.193 -6.392 -3.491 1.00 0.00 H new HETATM 343 C8' CPN B 4 -9.570 -3.897 2.287 1.00 0.00 C HETATM 344 C7' CPN B 4 -8.723 -4.680 3.319 1.00 0.00 C HETATM 345 O7' CPN B 4 -7.579 -5.020 3.005 1.00 0.00 O HETATM 346 C5' CPN B 4 -8.415 -5.758 5.520 1.00 0.00 C HETATM 347 C' CPN B 4 -7.892 -5.000 6.751 1.00 0.00 C HETATM 348 O1' CPN B 4 -7.457 -5.653 7.706 1.00 0.00 O HETATM 349 N4' CPN B 4 -9.222 -4.972 4.548 1.00 0.00 N HETATM 350 C3' CPN B 4 -10.578 -4.612 4.994 1.00 0.00 C HETATM 351 C2' CPN B 4 -11.507 -5.829 5.100 1.00 0.00 C HETATM 352 N1' CPN B 4 -11.716 -6.530 3.818 1.00 0.00 N HETATM 353 N1 CPN B 4 -8.797 -3.491 1.073 1.00 0.00 N HETATM 354 C2 CPN B 4 -8.111 -2.276 1.087 1.00 0.00 C HETATM 355 N3 CPN B 4 -7.424 -1.865 0.000 1.00 0.00 N HETATM 356 C4 CPN B 4 -7.379 -2.650 -1.061 1.00 0.00 C HETATM 357 C5 CPN B 4 -8.037 -3.909 -1.125 1.00 0.00 C HETATM 358 C6 CPN B 4 -8.743 -4.299 -0.038 1.00 0.00 C HETATM 359 O2 CPN B 4 -8.107 -1.537 2.074 1.00 0.00 O HETATM 360 N4 CPN B 4 -6.682 -2.217 -2.080 1.00 0.00 N HETATM 0 HN42 CPN B 4 -6.612 -2.781 -2.927 1.00 0.00 H new HETATM 0 HN41 CPN B 4 -6.209 -1.315 -2.028 1.00 0.00 H new HETATM 0 H8'2 CPN B 4 -10.417 -4.512 1.981 1.00 0.00 H new HETATM 0 H8'1 CPN B 4 -9.978 -3.006 2.764 1.00 0.00 H new HETATM 0 H5'2 CPN B 4 -7.560 -6.180 4.991 1.00 0.00 H new HETATM 0 H5'1 CPN B 4 -9.020 -6.595 5.867 1.00 0.00 H new HETATM 0 H3'2 CPN B 4 -10.518 -4.119 5.965 1.00 0.00 H new HETATM 0 H3'1 CPN B 4 -11.007 -3.892 4.297 1.00 0.00 H new HETATM 0 H2'2 CPN B 4 -11.091 -6.530 5.824 1.00 0.00 H new HETATM 0 H2'1 CPN B 4 -12.473 -5.505 5.488 1.00 0.00 H new HETATM 0 H1'2 CPN B 4 -12.340 -7.324 3.962 1.00 0.00 H new HETATM 0 H6 CPN B 4 -9.269 -5.254 -0.043 1.00 0.00 H new HETATM 0 H5 CPN B 4 -7.975 -4.536 -2.015 1.00 0.00 H new HETATM 374 C8' APN B 5 -5.657 -1.893 4.799 1.00 0.00 C HETATM 375 C7' APN B 5 -4.834 -2.423 5.993 1.00 0.00 C HETATM 376 O7' APN B 5 -3.756 -2.991 5.783 1.00 0.00 O HETATM 377 C5' APN B 5 -4.440 -2.573 8.416 1.00 0.00 C HETATM 378 C' APN B 5 -3.660 -1.363 8.953 1.00 0.00 C HETATM 379 O1' APN B 5 -4.033 -0.208 8.711 1.00 0.00 O HETATM 380 N4' APN B 5 -5.297 -2.251 7.253 1.00 0.00 N HETATM 381 C3' APN B 5 -6.609 -1.683 7.580 1.00 0.00 C HETATM 382 C2' APN B 5 -7.619 -2.786 7.910 1.00 0.00 C HETATM 383 N1' APN B 5 -7.945 -3.652 6.755 1.00 0.00 N HETATM 384 N9 APN B 5 -4.918 -1.913 3.515 1.00 0.00 N HETATM 385 C8 APN B 5 -5.043 -2.794 2.471 1.00 0.00 C HETATM 386 N7 APN B 5 -4.365 -2.461 1.405 1.00 0.00 N HETATM 387 C5 APN B 5 -3.691 -1.300 1.804 1.00 0.00 C HETATM 388 C6 APN B 5 -2.764 -0.419 1.189 1.00 0.00 C HETATM 389 N6 APN B 5 -2.336 -0.516 -0.056 1.00 0.00 N HETATM 390 N1 APN B 5 -2.211 0.582 1.881 1.00 0.00 N HETATM 391 C2 APN B 5 -2.575 0.727 3.150 1.00 0.00 C HETATM 392 N3 APN B 5 -3.459 0.018 3.846 1.00 0.00 N HETATM 393 C4 APN B 5 -3.986 -0.992 3.106 1.00 0.00 C HETATM 0 HN62 APN B 5 -1.667 0.162 -0.419 1.00 0.00 H new HETATM 0 HN61 APN B 5 -2.675 -1.269 -0.654 1.00 0.00 H new HETATM 0 H8'2 APN B 5 -6.562 -2.492 4.697 1.00 0.00 H new HETATM 0 H8'1 APN B 5 -5.973 -0.872 5.011 1.00 0.00 H new HETATM 0 H5'2 APN B 5 -3.734 -3.354 8.133 1.00 0.00 H new HETATM 0 H5'1 APN B 5 -5.061 -2.979 9.214 1.00 0.00 H new HETATM 0 H3'2 APN B 5 -6.515 -1.006 8.429 1.00 0.00 H new HETATM 0 H3'1 APN B 5 -6.973 -1.092 6.740 1.00 0.00 H new HETATM 0 H2'2 APN B 5 -7.221 -3.403 8.716 1.00 0.00 H new HETATM 0 H2'1 APN B 5 -8.536 -2.329 8.282 1.00 0.00 H new HETATM 0 H1'3 APN B 5 -8.619 -4.362 7.041 1.00 0.00 H new HETATM 0 H8 APN B 5 -5.655 -3.694 2.526 1.00 0.00 H new HETATM 0 H2 APN B 5 -2.084 1.534 3.693 1.00 0.00 H new HETATM 407 C8' TPN B 6 -0.754 -0.255 6.848 1.00 0.00 C HETATM 408 C7' TPN B 6 0.330 -0.744 7.832 1.00 0.00 C HETATM 409 O7' TPN B 6 1.320 -1.339 7.392 1.00 0.00 O HETATM 410 C5' TPN B 6 1.258 -0.959 10.096 1.00 0.00 C HETATM 411 C' TPN B 6 2.422 0.023 10.308 1.00 0.00 C HETATM 412 O1' TPN B 6 3.407 -0.350 10.952 1.00 0.00 O HETATM 413 N4' TPN B 6 0.206 -0.499 9.159 1.00 0.00 N HETATM 414 C3' TPN B 6 -0.899 0.255 9.763 1.00 0.00 C HETATM 415 C2' TPN B 6 -1.861 -0.647 10.545 1.00 0.00 C HETATM 416 N1' TPN B 6 -2.575 -1.629 9.705 1.00 0.00 N HETATM 417 N1 TPN B 6 -0.398 -0.539 5.429 1.00 0.00 N HETATM 418 C6 TPN B 6 -0.802 -1.718 4.836 1.00 0.00 C HETATM 419 C2 TPN B 6 0.349 0.413 4.724 1.00 0.00 C HETATM 420 O2 TPN B 6 0.683 1.501 5.189 1.00 0.00 O HETATM 421 N3 TPN B 6 0.689 0.093 3.429 1.00 0.00 N HETATM 422 C4 TPN B 6 0.369 -1.075 2.777 1.00 0.00 C HETATM 423 O4 TPN B 6 0.765 -1.240 1.622 1.00 0.00 O HETATM 424 C5 TPN B 6 -0.451 -2.001 3.553 1.00 0.00 C HETATM 425 C5M TPN B 6 -0.956 -3.265 2.897 1.00 0.00 C HETATM 0 HM53 TPN B 6 -0.612 -4.131 3.463 1.00 0.00 H new HETATM 0 HM52 TPN B 6 -2.046 -3.254 2.877 1.00 0.00 H new HETATM 0 HM51 TPN B 6 -0.575 -3.323 1.877 1.00 0.00 H new HETATM 0 H8'2 TPN B 6 -1.702 -0.737 7.086 1.00 0.00 H new HETATM 0 H8'1 TPN B 6 -0.901 0.817 6.976 1.00 0.00 H new HETATM 0 H5'2 TPN B 6 1.662 -1.902 9.728 1.00 0.00 H new HETATM 0 H5'1 TPN B 6 0.797 -1.165 11.062 1.00 0.00 H new HETATM 0 H3'2 TPN B 6 -0.494 1.016 10.431 1.00 0.00 H new HETATM 0 H3'1 TPN B 6 -1.450 0.778 8.981 1.00 0.00 H new HETATM 0 H2'2 TPN B 6 -1.301 -1.180 11.313 1.00 0.00 H new HETATM 0 H2'1 TPN B 6 -2.592 -0.023 11.059 1.00 0.00 H new HETATM 0 H1'2 TPN B 6 -3.194 -2.191 10.290 1.00 0.00 H new HETATM 0 HN3 TPN B 6 1.227 0.784 2.906 1.00 0.00 H new HETATM 0 H6 TPN B 6 -1.407 -2.428 5.400 1.00 0.00 H new HETATM 440 C8' GPN B 7 3.685 1.111 6.388 1.00 0.00 C HETATM 441 C7' GPN B 7 4.829 0.849 7.396 1.00 0.00 C HETATM 442 O7' GPN B 7 5.581 -0.114 7.209 1.00 0.00 O HETATM 443 C5' GPN B 7 6.154 1.458 9.388 1.00 0.00 C HETATM 444 C' GPN B 7 7.300 2.478 9.289 1.00 0.00 C HETATM 445 O1' GPN B 7 8.247 2.384 10.078 1.00 0.00 O HETATM 446 N4' GPN B 7 5.010 1.670 8.463 1.00 0.00 N HETATM 447 C3' GPN B 7 4.089 2.753 8.835 1.00 0.00 C HETATM 448 C2' GPN B 7 3.232 2.390 10.052 1.00 0.00 C HETATM 449 N1' GPN B 7 2.311 1.266 9.797 1.00 0.00 N HETATM 450 N9 GPN B 7 3.932 0.434 5.090 1.00 0.00 N HETATM 451 C8 GPN B 7 3.558 -0.829 4.689 1.00 0.00 C HETATM 452 N7 GPN B 7 4.040 -1.182 3.527 1.00 0.00 N HETATM 453 C5 GPN B 7 4.778 -0.065 3.115 1.00 0.00 C HETATM 454 C6 GPN B 7 5.571 0.173 1.934 1.00 0.00 C HETATM 455 O6 GPN B 7 5.815 -0.584 0.990 1.00 0.00 O HETATM 456 N1 GPN B 7 6.118 1.447 1.891 1.00 0.00 N HETATM 457 C2 GPN B 7 5.949 2.394 2.863 1.00 0.00 C HETATM 458 N2 GPN B 7 6.506 3.578 2.710 1.00 0.00 N HETATM 459 N3 GPN B 7 5.257 2.192 3.988 1.00 0.00 N HETATM 460 C4 GPN B 7 4.687 0.944 4.055 1.00 0.00 C HETATM 0 HN22 GPN B 7 6.388 4.294 3.427 1.00 0.00 H new HETATM 0 HN21 GPN B 7 7.055 3.779 1.874 1.00 0.00 H new HETATM 0 H8'2 GPN B 7 2.742 0.760 6.808 1.00 0.00 H new HETATM 0 H8'1 GPN B 7 3.582 2.184 6.225 1.00 0.00 H new HETATM 0 H5'2 GPN B 7 6.563 0.464 9.207 1.00 0.00 H new HETATM 0 H5'1 GPN B 7 5.775 1.465 10.410 1.00 0.00 H new HETATM 0 H3'2 GPN B 7 4.660 3.656 9.051 1.00 0.00 H new HETATM 0 H3'1 GPN B 7 3.439 2.982 7.990 1.00 0.00 H new HETATM 0 H2'2 GPN B 7 3.886 2.134 10.886 1.00 0.00 H new HETATM 0 H2'1 GPN B 7 2.655 3.263 10.356 1.00 0.00 H new HETATM 0 H1'3 GPN B 7 1.770 1.071 10.639 1.00 0.00 H new HETATM 0 HN1 GPN B 7 6.685 1.694 1.080 1.00 0.00 H new HETATM 0 H8 GPN B 7 2.917 -1.476 5.287 1.00 0.00 H new HETATM 474 C8' CPN B 8 8.508 2.115 5.390 1.00 0.00 C HETATM 475 C7' CPN B 8 9.732 2.277 6.317 1.00 0.00 C HETATM 476 O7' CPN B 8 10.535 1.344 6.408 1.00 0.00 O HETATM 477 C5' CPN B 8 11.113 3.596 7.875 1.00 0.00 C HETATM 478 C' CPN B 8 12.306 4.346 7.260 1.00 0.00 C HETATM 479 O1' CPN B 8 13.338 4.461 7.929 1.00 0.00 O HETATM 480 N4' CPN B 8 9.928 3.434 6.998 1.00 0.00 N HETATM 481 C3' CPN B 8 9.004 4.574 6.990 1.00 0.00 C HETATM 482 C2' CPN B 8 8.132 4.609 8.248 1.00 0.00 C HETATM 483 N1' CPN B 8 7.222 3.453 8.360 1.00 0.00 N HETATM 484 N1 CPN B 8 8.656 0.991 4.422 1.00 0.00 N HETATM 485 C2 CPN B 8 9.443 1.185 3.289 1.00 0.00 C HETATM 486 N3 CPN B 8 9.593 0.195 2.385 1.00 0.00 N HETATM 487 C4 CPN B 8 8.984 -0.957 2.594 1.00 0.00 C HETATM 488 C5 CPN B 8 8.173 -1.215 3.735 1.00 0.00 C HETATM 489 C6 CPN B 8 8.029 -0.213 4.635 1.00 0.00 C HETATM 490 O2 CPN B 8 10.017 2.253 3.064 1.00 0.00 O HETATM 491 N4 CPN B 8 9.178 -1.881 1.688 1.00 0.00 N HETATM 0 HN42 CPN B 8 8.736 -2.795 1.789 1.00 0.00 H new HETATM 0 HN41 CPN B 8 9.771 -1.687 0.881 1.00 0.00 H new HETATM 0 H8'2 CPN B 8 7.618 1.949 5.998 1.00 0.00 H new HETATM 0 H8'1 CPN B 8 8.350 3.043 4.840 1.00 0.00 H new HETATM 0 H5'2 CPN B 8 11.451 2.607 8.183 1.00 0.00 H new HETATM 0 H5'1 CPN B 8 10.804 4.123 8.778 1.00 0.00 H new HETATM 0 H3'2 CPN B 8 9.572 5.501 6.916 1.00 0.00 H new HETATM 0 H3'1 CPN B 8 8.367 4.519 6.108 1.00 0.00 H new HETATM 0 H2'2 CPN B 8 8.776 4.642 9.127 1.00 0.00 H new HETATM 0 H2'1 CPN B 8 7.544 5.527 8.249 1.00 0.00 H new HETATM 0 H1'3 CPN B 8 6.807 3.436 9.291 1.00 0.00 H new HETATM 0 H6 CPN B 8 7.418 -0.361 5.525 1.00 0.00 H new HETATM 0 H5 CPN B 8 7.687 -2.180 3.879 1.00 0.00 H new HETATM 505 C8' CPN B 9 13.164 2.177 4.123 1.00 0.00 C HETATM 506 C7' CPN B 9 14.472 2.636 4.806 1.00 0.00 C HETATM 507 O7' CPN B 9 15.215 1.776 5.292 1.00 0.00 O HETATM 508 C5' CPN B 9 16.023 4.388 5.571 1.00 0.00 C HETATM 509 C' CPN B 9 17.310 4.333 4.735 1.00 0.00 C HETATM 510 O1' CPN B 9 18.356 4.782 5.211 1.00 0.00 O HETATM 511 N4' CPN B 9 14.796 3.953 4.868 1.00 0.00 N HETATM 512 C3' CPN B 9 14.015 5.053 4.297 1.00 0.00 C HETATM 513 C2' CPN B 9 13.165 5.754 5.363 1.00 0.00 C HETATM 514 N1' CPN B 9 12.183 4.866 6.020 1.00 0.00 N HETATM 515 N1 CPN B 9 13.276 0.839 3.480 1.00 0.00 N HETATM 516 C2 CPN B 9 14.043 0.724 2.319 1.00 0.00 C HETATM 517 N3 CPN B 9 14.104 -0.453 1.658 1.00 0.00 N HETATM 518 C4 CPN B 9 13.439 -1.487 2.139 1.00 0.00 C HETATM 519 C5 CPN B 9 12.661 -1.433 3.331 1.00 0.00 C HETATM 520 C6 CPN B 9 12.602 -0.247 3.983 1.00 0.00 C HETATM 521 O2 CPN B 9 14.656 1.683 1.844 1.00 0.00 O HETATM 522 N4 CPN B 9 13.541 -2.595 1.453 1.00 0.00 N HETATM 0 HN42 CPN B 9 13.054 -3.435 1.765 1.00 0.00 H new HETATM 0 HN41 CPN B 9 14.108 -2.620 0.605 1.00 0.00 H new HETATM 0 H8'2 CPN B 9 12.365 2.151 4.864 1.00 0.00 H new HETATM 0 H8'1 CPN B 9 12.878 2.912 3.370 1.00 0.00 H new HETATM 0 H5'2 CPN B 9 16.156 3.765 6.455 1.00 0.00 H new HETATM 0 H5'1 CPN B 9 15.879 5.410 5.920 1.00 0.00 H new HETATM 0 H3'2 CPN B 9 14.687 5.775 3.834 1.00 0.00 H new HETATM 0 H3'1 CPN B 9 13.367 4.669 3.509 1.00 0.00 H new HETATM 0 H2'2 CPN B 9 13.825 6.175 6.122 1.00 0.00 H new HETATM 0 H2'1 CPN B 9 12.636 6.588 4.902 1.00 0.00 H new HETATM 0 H1'3 CPN B 9 11.737 5.363 6.791 1.00 0.00 H new HETATM 0 H6 CPN B 9 12.023 -0.155 4.902 1.00 0.00 H new HETATM 0 H5 CPN B 9 12.134 -2.311 3.704 1.00 0.00 H new TER 536 CPN B 9 HETATM 537 N NME A 10 -17.582 0.484 -1.331 1.00 0.00 N HETATM 538 C NME A 10 -18.095 -0.424 -2.360 1.00 0.00 C HETATM 543 N NME B 10 17.260 3.810 3.501 1.00 0.00 N HETATM 544 C NME B 10 18.407 3.699 2.599 1.00 0.00 C