USER MOD reduce.3.24.130724 H: found=0, std=0, add=216, rem=0, adj=2 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 5 APN C2' :...(NH2R) USER MOD NoAdj-H: A 5 APNH1'1 : A 5 APN N1' : A 5 APN C2' :...(NH2R) USER MOD NoAdj-H: A 6 TPNH1'3 : 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 CPNH1'2 : 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 GPNH1'2 : B 2 GPN N1' : B 2 GPN C2' :...(NH2R) USER MOD NoAdj-H: B 2 GPNH1'1 : B 2 GPN N1' : B 2 GPN C2' :...(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 CPNH1'2 : 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 APNH1'3 : 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 Single : A 2 GPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GPN N1' :NH3+ 180: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+ 180:sc= 0 (180deg=0) 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+ 171:sc= 0 (180deg=-0.0797) USER MOD Single : A 9 CPN N1' :NH3+ 180:sc= -0.0482 (180deg=-0.0482) USER MOD Single : B 2 GPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 GPN N1' :NH3+ 180:sc= -0.122 (180deg=-0.122) 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+ 173:sc= 0 (180deg=-0.0706) USER MOD Single : B 9 CPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 21.503 2.240 -9.011 1.00 0.00 C HETATM 2 O ACE A 1 22.702 2.497 -8.887 1.00 0.00 O HETATM 3 CH3 ACE A 1 21.018 1.528 -10.264 1.00 0.00 C HETATM 0 H1 ACE A 1 20.548 0.584 -9.987 1.00 0.00 H new HETATM 0 H2 ACE A 1 20.293 2.156 -10.782 1.00 0.00 H new HETATM 0 H3 ACE A 1 21.865 1.332 -10.922 1.00 0.00 H new HETATM 7 C8' GPN A 2 17.389 0.817 -5.364 1.00 0.00 C HETATM 8 C7' GPN A 2 16.490 1.731 -6.228 1.00 0.00 C HETATM 9 O7' GPN A 2 15.270 1.536 -6.275 1.00 0.00 O HETATM 10 C5' GPN A 2 16.230 3.588 -7.829 1.00 0.00 C HETATM 11 C' GPN A 2 15.640 4.850 -7.183 1.00 0.00 C HETATM 12 O1' GPN A 2 14.835 5.528 -7.832 1.00 0.00 O HETATM 13 N4' GPN A 2 17.050 2.742 -6.932 1.00 0.00 N HETATM 14 C3' GPN A 2 18.480 3.038 -6.922 1.00 0.00 C HETATM 15 C2' GPN A 2 19.157 2.320 -8.088 1.00 0.00 C HETATM 16 N1' GPN A 2 20.610 2.579 -8.068 1.00 0.00 N HETATM 17 N9 GPN A 2 16.641 -0.315 -4.760 1.00 0.00 N HETATM 18 C8 GPN A 2 16.285 -1.500 -5.359 1.00 0.00 C HETATM 19 N7 GPN A 2 15.591 -2.299 -4.595 1.00 0.00 N HETATM 20 C5 GPN A 2 15.472 -1.592 -3.391 1.00 0.00 C HETATM 21 C6 GPN A 2 14.818 -1.929 -2.151 1.00 0.00 C HETATM 22 O6 GPN A 2 14.196 -2.953 -1.850 1.00 0.00 O HETATM 23 N1 GPN A 2 14.929 -0.942 -1.185 1.00 0.00 N HETATM 24 C2 GPN A 2 15.585 0.248 -1.368 1.00 0.00 C HETATM 25 N2 GPN A 2 15.573 1.133 -0.392 1.00 0.00 N HETATM 26 N3 GPN A 2 16.231 0.580 -2.496 1.00 0.00 N HETATM 27 C4 GPN A 2 16.130 -0.377 -3.478 1.00 0.00 C HETATM 0 HN22 GPN A 2 16.054 2.025 -0.506 1.00 0.00 H new HETATM 0 HN21 GPN A 2 15.082 0.926 0.478 1.00 0.00 H new HETATM 0 H8'2 GPN A 2 18.199 0.425 -5.979 1.00 0.00 H new HETATM 0 H8'1 GPN A 2 17.847 1.409 -4.572 1.00 0.00 H new HETATM 0 H5'2 GPN A 2 15.412 2.985 -8.223 1.00 0.00 H new HETATM 0 H5'1 GPN A 2 16.843 3.888 -8.679 1.00 0.00 H new HETATM 0 H3'2 GPN A 2 18.640 4.113 -7.001 1.00 0.00 H new HETATM 0 H3'1 GPN A 2 18.922 2.718 -5.978 1.00 0.00 H new HETATM 0 H2'2 GPN A 2 18.970 1.248 -8.023 1.00 0.00 H new HETATM 0 H2'1 GPN A 2 18.732 2.661 -9.032 1.00 0.00 H new HETATM 0 H1'2 GPN A 2 21.053 2.096 -8.850 1.00 0.00 H new HETATM 0 HN1 GPN A 2 14.494 -1.112 -0.278 1.00 0.00 H new HETATM 0 H8 GPN A 2 16.559 -1.751 -6.384 1.00 0.00 H new HETATM 41 C8' GPN A 3 13.925 3.426 -3.546 1.00 0.00 C HETATM 42 C7' GPN A 3 13.036 4.404 -4.347 1.00 0.00 C HETATM 43 O7' GPN A 3 11.958 4.005 -4.803 1.00 0.00 O HETATM 44 C5' GPN A 3 12.569 6.642 -5.279 1.00 0.00 C HETATM 45 C' GPN A 3 11.837 7.689 -4.425 1.00 0.00 C HETATM 46 O1' GPN A 3 11.261 8.622 -4.996 1.00 0.00 O HETATM 47 N4' GPN A 3 13.429 5.690 -4.532 1.00 0.00 N HETATM 48 C3' GPN A 3 14.718 6.230 -4.076 1.00 0.00 C HETATM 49 C2' GPN A 3 15.703 6.433 -5.233 1.00 0.00 C HETATM 50 N1' GPN A 3 16.039 5.182 -5.940 1.00 0.00 N HETATM 51 N9 GPN A 3 13.201 2.186 -3.167 1.00 0.00 N HETATM 52 C8 GPN A 3 12.938 1.081 -3.940 1.00 0.00 C HETATM 53 N7 GPN A 3 12.255 0.147 -3.333 1.00 0.00 N HETATM 54 C5 GPN A 3 12.049 0.673 -2.052 1.00 0.00 C HETATM 55 C6 GPN A 3 11.360 0.138 -0.907 1.00 0.00 C HETATM 56 O6 GPN A 3 10.782 -0.946 -0.780 1.00 0.00 O HETATM 57 N1 GPN A 3 11.357 0.999 0.179 1.00 0.00 N HETATM 58 C2 GPN A 3 11.951 2.232 0.191 1.00 0.00 C HETATM 59 N2 GPN A 3 11.844 2.989 1.262 1.00 0.00 N HETATM 60 N3 GPN A 3 12.618 2.747 -0.844 1.00 0.00 N HETATM 61 C4 GPN A 3 12.626 1.925 -1.943 1.00 0.00 C HETATM 0 HN22 GPN A 3 12.283 3.910 1.282 1.00 0.00 H new HETATM 0 HN21 GPN A 3 11.322 2.655 2.072 1.00 0.00 H new HETATM 0 H8'2 GPN A 3 14.801 3.165 -4.140 1.00 0.00 H new HETATM 0 H8'1 GPN A 3 14.287 3.922 -2.645 1.00 0.00 H new HETATM 0 H5'2 GPN A 3 11.827 6.072 -5.837 1.00 0.00 H new HETATM 0 H5'1 GPN A 3 13.186 7.164 -6.011 1.00 0.00 H new HETATM 0 H3'2 GPN A 3 14.553 7.182 -3.571 1.00 0.00 H new HETATM 0 H3'1 GPN A 3 15.155 5.552 -3.344 1.00 0.00 H new HETATM 0 H2'2 GPN A 3 15.277 7.141 -5.944 1.00 0.00 H new HETATM 0 H2'1 GPN A 3 16.619 6.881 -4.847 1.00 0.00 H new HETATM 0 H1'3 GPN A 3 16.695 5.383 -6.695 1.00 0.00 H new HETATM 0 HN1 GPN A 3 10.880 0.693 1.027 1.00 0.00 H new HETATM 0 H8 GPN A 3 13.271 0.991 -4.974 1.00 0.00 H new HETATM 75 C8' CPN A 4 9.851 5.128 -1.320 1.00 0.00 C HETATM 76 C7' CPN A 4 8.874 6.223 -1.806 1.00 0.00 C HETATM 77 O7' CPN A 4 7.796 5.880 -2.302 1.00 0.00 O HETATM 78 C5' CPN A 4 8.271 8.585 -2.186 1.00 0.00 C HETATM 79 C' CPN A 4 7.495 9.384 -1.128 1.00 0.00 C HETATM 80 O1' CPN A 4 6.951 10.441 -1.467 1.00 0.00 O HETATM 81 N4' CPN A 4 9.186 7.534 -1.669 1.00 0.00 N HETATM 82 C3' CPN A 4 10.435 8.025 -1.067 1.00 0.00 C HETATM 83 C2' CPN A 4 11.401 8.584 -2.118 1.00 0.00 C HETATM 84 N1' CPN A 4 11.876 7.570 -3.082 1.00 0.00 N HETATM 85 N1 CPN A 4 9.266 3.755 -1.394 1.00 0.00 N HETATM 86 C2 CPN A 4 8.539 3.271 -0.305 1.00 0.00 C HETATM 87 N3 CPN A 4 8.007 2.031 -0.335 1.00 0.00 N HETATM 88 C4 CPN A 4 8.155 1.301 -1.426 1.00 0.00 C HETATM 89 C5 CPN A 4 8.869 1.751 -2.574 1.00 0.00 C HETATM 90 C6 CPN A 4 9.417 2.988 -2.522 1.00 0.00 C HETATM 91 O2 CPN A 4 8.352 3.945 0.709 1.00 0.00 O HETATM 92 N4 CPN A 4 7.597 0.116 -1.413 1.00 0.00 N HETATM 0 HN42 CPN A 4 7.677 -0.494 -2.226 1.00 0.00 H new HETATM 0 HN41 CPN A 4 7.083 -0.197 -0.589 1.00 0.00 H new HETATM 0 H8'2 CPN A 4 10.759 5.164 -1.922 1.00 0.00 H new HETATM 0 H8'1 CPN A 4 10.143 5.339 -0.291 1.00 0.00 H new HETATM 0 H5'2 CPN A 4 7.552 8.115 -2.857 1.00 0.00 H new HETATM 0 H5'1 CPN A 4 8.855 9.284 -2.784 1.00 0.00 H new HETATM 0 H3'2 CPN A 4 10.205 8.802 -0.338 1.00 0.00 H new HETATM 0 H3'1 CPN A 4 10.920 7.213 -0.525 1.00 0.00 H new HETATM 0 H2'2 CPN A 4 10.906 9.388 -2.663 1.00 0.00 H new HETATM 0 H2'1 CPN A 4 12.261 9.023 -1.612 1.00 0.00 H new HETATM 0 H1'3 CPN A 4 12.512 8.006 -3.750 1.00 0.00 H new HETATM 0 H6 CPN A 4 9.977 3.374 -3.374 1.00 0.00 H new HETATM 0 H5 CPN A 4 8.970 1.124 -3.460 1.00 0.00 H new HETATM 106 C8' APN A 5 5.393 6.191 0.880 1.00 0.00 C HETATM 107 C7' APN A 5 4.448 7.388 0.635 1.00 0.00 C HETATM 108 O7' APN A 5 3.487 7.258 -0.126 1.00 0.00 O HETATM 109 C5' APN A 5 3.684 9.654 1.214 1.00 0.00 C HETATM 110 C' APN A 5 2.703 9.641 2.398 1.00 0.00 C HETATM 111 O1' APN A 5 2.984 9.050 3.449 1.00 0.00 O HETATM 112 N4' APN A 5 4.683 8.563 1.267 1.00 0.00 N HETATM 113 C3' APN A 5 5.867 8.836 2.086 1.00 0.00 C HETATM 114 C2' APN A 5 6.904 9.645 1.299 1.00 0.00 C HETATM 115 N1' APN A 5 7.461 8.920 0.138 1.00 0.00 N HETATM 116 N9 APN A 5 4.863 4.902 0.376 1.00 0.00 N HETATM 117 C8 APN A 5 5.280 4.175 -0.708 1.00 0.00 C HETATM 118 N7 APN A 5 4.733 2.991 -0.801 1.00 0.00 N HETATM 119 C5 APN A 5 3.841 2.963 0.279 1.00 0.00 C HETATM 120 C6 APN A 5 2.903 2.024 0.780 1.00 0.00 C HETATM 121 N6 APN A 5 2.693 0.821 0.282 1.00 0.00 N HETATM 122 N1 APN A 5 2.107 2.337 1.809 1.00 0.00 N HETATM 123 C2 APN A 5 2.245 3.542 2.349 1.00 0.00 C HETATM 124 N3 APN A 5 3.104 4.504 2.024 1.00 0.00 N HETATM 125 C4 APN A 5 3.882 4.148 0.970 1.00 0.00 C HETATM 0 HN62 APN A 5 1.997 0.208 0.706 1.00 0.00 H new HETATM 0 HN61 APN A 5 3.227 0.504 -0.527 1.00 0.00 H new HETATM 0 H8'2 APN A 5 6.351 6.392 0.401 1.00 0.00 H new HETATM 0 H8'1 APN A 5 5.583 6.102 1.950 1.00 0.00 H new HETATM 0 H5'2 APN A 5 3.121 9.576 0.284 1.00 0.00 H new HETATM 0 H5'1 APN A 5 4.204 10.612 1.193 1.00 0.00 H new HETATM 0 H3'2 APN A 5 5.576 9.385 2.982 1.00 0.00 H new HETATM 0 H3'1 APN A 5 6.309 7.896 2.418 1.00 0.00 H new HETATM 0 H2'2 APN A 5 6.444 10.571 0.953 1.00 0.00 H new HETATM 0 H2'1 APN A 5 7.718 9.924 1.967 1.00 0.00 H new HETATM 0 H1'3 APN A 5 8.141 9.512 -0.339 1.00 0.00 H new HETATM 0 H8 APN A 5 6.005 4.551 -1.430 1.00 0.00 H new HETATM 0 H2 APN A 5 1.564 3.774 3.168 1.00 0.00 H new HETATM 139 C8' TPN A 6 0.090 7.050 2.090 1.00 0.00 C HETATM 140 C7' TPN A 6 -1.076 8.024 1.822 1.00 0.00 C HETATM 141 O7' TPN A 6 -1.867 7.776 0.905 1.00 0.00 O HETATM 142 C5' TPN A 6 -2.374 10.043 2.351 1.00 0.00 C HETATM 143 C' TPN A 6 -3.680 9.700 3.084 1.00 0.00 C HETATM 144 O1' TPN A 6 -4.703 10.334 2.801 1.00 0.00 O HETATM 145 N4' TPN A 6 -1.237 9.124 2.596 1.00 0.00 N HETATM 146 C3' TPN A 6 -0.345 9.503 3.697 1.00 0.00 C HETATM 147 C2' TPN A 6 0.595 10.652 3.309 1.00 0.00 C HETATM 148 N1' TPN A 6 1.546 10.309 2.231 1.00 0.00 N HETATM 149 N1 TPN A 6 -0.048 5.777 1.332 1.00 0.00 N HETATM 150 C6 TPN A 6 0.609 5.610 0.130 1.00 0.00 C HETATM 151 C2 TPN A 6 -0.806 4.746 1.900 1.00 0.00 C HETATM 152 O2 TPN A 6 -1.364 4.832 2.992 1.00 0.00 O HETATM 153 N3 TPN A 6 -0.884 3.575 1.183 1.00 0.00 N HETATM 154 C4 TPN A 6 -0.292 3.334 -0.035 1.00 0.00 C HETATM 155 O4 TPN A 6 -0.459 2.239 -0.572 1.00 0.00 O HETATM 156 C5 TPN A 6 0.519 4.436 -0.549 1.00 0.00 C HETATM 157 C5M TPN A 6 1.324 4.236 -1.812 1.00 0.00 C HETATM 0 HM53 TPN A 6 1.041 4.990 -2.547 1.00 0.00 H new HETATM 0 HM52 TPN A 6 2.386 4.331 -1.585 1.00 0.00 H new HETATM 0 HM51 TPN A 6 1.126 3.243 -2.216 1.00 0.00 H new HETATM 0 H8'2 TPN A 6 1.030 7.530 1.820 1.00 0.00 H new HETATM 0 H8'1 TPN A 6 0.139 6.831 3.157 1.00 0.00 H new HETATM 0 H5'2 TPN A 6 -2.575 10.064 1.280 1.00 0.00 H new HETATM 0 H5'1 TPN A 6 -2.072 11.050 2.639 1.00 0.00 H new HETATM 0 H3'2 TPN A 6 -0.941 9.799 4.560 1.00 0.00 H new HETATM 0 H3'1 TPN A 6 0.246 8.638 3.999 1.00 0.00 H new HETATM 0 H2'2 TPN A 6 -0.003 11.507 2.994 1.00 0.00 H new HETATM 0 H2'1 TPN A 6 1.156 10.963 4.190 1.00 0.00 H new HETATM 0 H1'2 TPN A 6 2.135 11.116 2.027 1.00 0.00 H new HETATM 0 HN3 TPN A 6 -1.430 2.817 1.591 1.00 0.00 H new HETATM 0 H6 TPN A 6 1.205 6.426 -0.278 1.00 0.00 H new HETATM 172 C8' GPN A 7 -4.354 5.743 2.291 1.00 0.00 C HETATM 173 C7' GPN A 7 -5.666 6.557 2.262 1.00 0.00 C HETATM 174 O7' GPN A 7 -6.264 6.690 1.187 1.00 0.00 O HETATM 175 C5' GPN A 7 -7.444 7.848 3.387 1.00 0.00 C HETATM 176 C' GPN A 7 -8.650 7.076 3.946 1.00 0.00 C HETATM 177 O1' GPN A 7 -9.699 7.694 4.157 1.00 0.00 O HETATM 178 N4' GPN A 7 -6.155 7.113 3.399 1.00 0.00 N HETATM 179 C3' GPN A 7 -5.465 7.104 4.693 1.00 0.00 C HETATM 180 C2' GPN A 7 -4.759 8.436 4.971 1.00 0.00 C HETATM 181 N1' GPN A 7 -3.661 8.735 4.027 1.00 0.00 N HETATM 182 N9 GPN A 7 -4.301 4.754 1.191 1.00 0.00 N HETATM 183 C8 GPN A 7 -3.675 4.845 -0.029 1.00 0.00 C HETATM 184 N7 GPN A 7 -3.870 3.812 -0.806 1.00 0.00 N HETATM 185 C5 GPN A 7 -4.691 2.969 -0.042 1.00 0.00 C HETATM 186 C6 GPN A 7 -5.284 1.688 -0.331 1.00 0.00 C HETATM 187 O6 GPN A 7 -5.210 1.003 -1.357 1.00 0.00 O HETATM 188 N1 GPN A 7 -6.040 1.186 0.720 1.00 0.00 N HETATM 189 C2 GPN A 7 -6.214 1.820 1.919 1.00 0.00 C HETATM 190 N2 GPN A 7 -6.945 1.248 2.852 1.00 0.00 N HETATM 191 N3 GPN A 7 -5.704 3.018 2.207 1.00 0.00 N HETATM 192 C4 GPN A 7 -4.945 3.539 1.190 1.00 0.00 C HETATM 0 HN22 GPN A 7 -7.081 1.713 3.750 1.00 0.00 H new HETATM 0 HN21 GPN A 7 -7.376 0.340 2.677 1.00 0.00 H new HETATM 0 H8'2 GPN A 7 -3.503 6.420 2.213 1.00 0.00 H new HETATM 0 H8'1 GPN A 7 -4.266 5.229 3.248 1.00 0.00 H new HETATM 0 H5'2 GPN A 7 -7.666 8.141 2.361 1.00 0.00 H new HETATM 0 H5'1 GPN A 7 -7.324 8.766 3.962 1.00 0.00 H new HETATM 0 H3'2 GPN A 7 -6.184 6.901 5.487 1.00 0.00 H new HETATM 0 H3'1 GPN A 7 -4.735 6.295 4.710 1.00 0.00 H new HETATM 0 H2'2 GPN A 7 -5.492 9.241 4.929 1.00 0.00 H new HETATM 0 H2'1 GPN A 7 -4.360 8.421 5.985 1.00 0.00 H new HETATM 0 H1'3 GPN A 7 -3.238 9.631 4.269 1.00 0.00 H new HETATM 0 HN1 GPN A 7 -6.496 0.283 0.589 1.00 0.00 H new HETATM 0 H8 GPN A 7 -3.070 5.702 -0.323 1.00 0.00 H new HETATM 206 C8' CPN A 8 -8.858 4.112 1.373 1.00 0.00 C HETATM 207 C7' CPN A 8 -10.267 4.673 1.657 1.00 0.00 C HETATM 208 O7' CPN A 8 -10.857 5.265 0.748 1.00 0.00 O HETATM 209 C5' CPN A 8 -12.181 5.079 3.157 1.00 0.00 C HETATM 210 C' CPN A 8 -13.347 4.452 2.375 1.00 0.00 C HETATM 211 O1' CPN A 8 -14.445 5.021 2.389 1.00 0.00 O HETATM 212 N4' CPN A 8 -10.840 4.517 2.877 1.00 0.00 N HETATM 213 C3' CPN A 8 -10.200 3.885 4.034 1.00 0.00 C HETATM 214 C2' CPN A 8 -9.513 4.927 4.923 1.00 0.00 C HETATM 215 N1' CPN A 8 -8.513 5.761 4.217 1.00 0.00 N HETATM 216 N1 CPN A 8 -8.720 3.530 0.012 1.00 0.00 N HETATM 217 C2 CPN A 8 -9.423 2.365 -0.295 1.00 0.00 C HETATM 218 N3 CPN A 8 -9.221 1.741 -1.476 1.00 0.00 N HETATM 219 C4 CPN A 8 -8.351 2.257 -2.326 1.00 0.00 C HETATM 220 C5 CPN A 8 -7.620 3.454 -2.068 1.00 0.00 C HETATM 221 C6 CPN A 8 -7.828 4.067 -0.877 1.00 0.00 C HETATM 222 O2 CPN A 8 -10.222 1.855 0.495 1.00 0.00 O HETATM 223 N4 CPN A 8 -8.177 1.598 -3.442 1.00 0.00 N HETATM 0 HN42 CPN A 8 -7.519 1.943 -4.141 1.00 0.00 H new HETATM 0 HN41 CPN A 8 -8.699 0.739 -3.614 1.00 0.00 H new HETATM 0 H8'2 CPN A 8 -8.125 4.910 1.495 1.00 0.00 H new HETATM 0 H8'1 CPN A 8 -8.623 3.347 2.113 1.00 0.00 H new HETATM 0 H5'2 CPN A 8 -12.158 6.148 2.943 1.00 0.00 H new HETATM 0 H5'1 CPN A 8 -12.384 4.972 4.223 1.00 0.00 H new HETATM 0 H3'2 CPN A 8 -10.946 3.342 4.615 1.00 0.00 H new HETATM 0 H3'1 CPN A 8 -9.467 3.153 3.693 1.00 0.00 H new HETATM 0 H2'2 CPN A 8 -10.273 5.578 5.355 1.00 0.00 H new HETATM 0 H2'1 CPN A 8 -9.023 4.415 5.752 1.00 0.00 H new HETATM 0 H1'3 CPN A 8 -8.211 6.521 4.827 1.00 0.00 H new HETATM 0 H6 CPN A 8 -7.289 4.981 -0.629 1.00 0.00 H new HETATM 0 H5 CPN A 8 -6.922 3.860 -2.800 1.00 0.00 H new HETATM 237 C8' CPN A 9 -13.554 0.834 -2.300 1.00 0.00 C HETATM 238 C7' CPN A 9 -14.814 1.723 -2.382 1.00 0.00 C HETATM 239 O7' CPN A 9 -15.699 1.457 -3.208 1.00 0.00 O HETATM 240 C5' CPN A 9 -16.156 3.604 -1.543 1.00 0.00 C HETATM 241 C' CPN A 9 -17.366 2.907 -0.902 1.00 0.00 C HETATM 242 O1' CPN A 9 -17.266 1.815 -0.334 1.00 0.00 O HETATM 243 N4' CPN A 9 -14.926 2.787 -1.554 1.00 0.00 N HETATM 244 C3' CPN A 9 -13.864 3.245 -0.661 1.00 0.00 C HETATM 245 C2' CPN A 9 -14.081 2.692 0.748 1.00 0.00 C HETATM 246 N1' CPN A 9 -13.124 3.321 1.674 1.00 0.00 N HETATM 247 N1 CPN A 9 -13.540 -0.262 -3.308 1.00 0.00 N HETATM 248 C2 CPN A 9 -14.313 -1.402 -3.076 1.00 0.00 C HETATM 249 N3 CPN A 9 -14.335 -2.406 -3.983 1.00 0.00 N HETATM 250 C4 CPN A 9 -13.619 -2.278 -5.085 1.00 0.00 C HETATM 251 C5 CPN A 9 -12.829 -1.133 -5.380 1.00 0.00 C HETATM 252 C6 CPN A 9 -12.810 -0.135 -4.463 1.00 0.00 C HETATM 253 O2 CPN A 9 -15.001 -1.538 -2.061 1.00 0.00 O HETATM 254 N4 CPN A 9 -13.692 -3.279 -5.927 1.00 0.00 N HETATM 0 HN42 CPN A 9 -13.166 -3.250 -6.800 1.00 0.00 H new HETATM 0 HN41 CPN A 9 -14.275 -4.087 -5.709 1.00 0.00 H new HETATM 0 H8'2 CPN A 9 -12.669 1.456 -2.437 1.00 0.00 H new HETATM 0 H8'1 CPN A 9 -13.487 0.401 -1.302 1.00 0.00 H new HETATM 0 H5'2 CPN A 9 -16.408 3.876 -2.568 1.00 0.00 H new HETATM 0 H5'1 CPN A 9 -15.958 4.532 -1.006 1.00 0.00 H new HETATM 0 H3'2 CPN A 9 -12.895 2.921 -1.041 1.00 0.00 H new HETATM 0 H3'1 CPN A 9 -13.848 4.335 -0.633 1.00 0.00 H new HETATM 0 H2'2 CPN A 9 -15.102 2.889 1.074 1.00 0.00 H new HETATM 0 H2'1 CPN A 9 -13.948 1.610 0.750 1.00 0.00 H new HETATM 0 H1'3 CPN A 9 -13.268 2.953 2.614 1.00 0.00 H new HETATM 0 H6 CPN A 9 -12.219 0.763 -4.642 1.00 0.00 H new HETATM 0 H5 CPN A 9 -12.261 -1.061 -6.307 1.00 0.00 H new TER 268 CPN A 9 HETATM 269 C ACE B 1 -19.585 -4.006 0.872 1.00 0.00 C HETATM 270 O ACE B 1 -19.135 -3.307 -0.042 1.00 0.00 O HETATM 271 CH3 ACE B 1 -19.946 -3.338 2.189 1.00 0.00 C HETATM 0 H1 ACE B 1 -21.005 -3.491 2.396 1.00 0.00 H new HETATM 0 H2 ACE B 1 -19.353 -3.774 2.993 1.00 0.00 H new HETATM 0 H3 ACE B 1 -19.739 -2.270 2.124 1.00 0.00 H new HETATM 275 C8' GPN B 2 -19.270 -8.172 -1.389 1.00 0.00 C HETATM 276 C7' GPN B 2 -18.534 -8.635 -0.115 1.00 0.00 C HETATM 277 O7' GPN B 2 -17.522 -9.342 -0.230 1.00 0.00 O HETATM 278 C5' GPN B 2 -18.258 -8.653 2.341 1.00 0.00 C HETATM 279 C' GPN B 2 -16.831 -8.099 2.485 1.00 0.00 C HETATM 280 O1' GPN B 2 -16.111 -8.563 3.380 1.00 0.00 O HETATM 281 N4' GPN B 2 -18.991 -8.278 1.110 1.00 0.00 N HETATM 282 C3' GPN B 2 -20.313 -7.701 1.351 1.00 0.00 C HETATM 283 C2' GPN B 2 -20.189 -6.247 1.812 1.00 0.00 C HETATM 284 N1' GPN B 2 -19.729 -5.334 0.746 1.00 0.00 N HETATM 285 N9 GPN B 2 -18.312 -7.844 -2.467 1.00 0.00 N HETATM 286 C8 GPN B 2 -18.035 -8.555 -3.609 1.00 0.00 C HETATM 287 N7 GPN B 2 -17.135 -8.000 -4.377 1.00 0.00 N HETATM 288 C5 GPN B 2 -16.785 -6.829 -3.689 1.00 0.00 C HETATM 289 C6 GPN B 2 -15.860 -5.771 -4.016 1.00 0.00 C HETATM 290 O6 GPN B 2 -15.136 -5.644 -5.006 1.00 0.00 O HETATM 291 N1 GPN B 2 -15.819 -4.767 -3.061 1.00 0.00 N HETATM 292 C2 GPN B 2 -16.583 -4.747 -1.926 1.00 0.00 C HETATM 293 N2 GPN B 2 -16.532 -3.689 -1.146 1.00 0.00 N HETATM 294 N3 GPN B 2 -17.445 -5.718 -1.587 1.00 0.00 N HETATM 295 C4 GPN B 2 -17.501 -6.729 -2.513 1.00 0.00 C HETATM 0 HN22 GPN B 2 -17.094 -3.655 -0.295 1.00 0.00 H new HETATM 0 HN21 GPN B 2 -15.931 -2.903 -1.392 1.00 0.00 H new HETATM 0 H8'2 GPN B 2 -19.948 -8.956 -1.727 1.00 0.00 H new HETATM 0 H8'1 GPN B 2 -19.881 -7.298 -1.163 1.00 0.00 H new HETATM 0 H5'2 GPN B 2 -18.208 -9.741 2.391 1.00 0.00 H new HETATM 0 H5'1 GPN B 2 -18.841 -8.321 3.200 1.00 0.00 H new HETATM 0 H3'2 GPN B 2 -20.909 -7.750 0.440 1.00 0.00 H new HETATM 0 H3'1 GPN B 2 -20.838 -8.285 2.107 1.00 0.00 H new HETATM 0 H2'2 GPN B 2 -21.157 -5.906 2.180 1.00 0.00 H new HETATM 0 H2'1 GPN B 2 -19.493 -6.197 2.649 1.00 0.00 H new HETATM 0 H1'3 GPN B 2 -19.667 -4.385 1.114 1.00 0.00 H new HETATM 0 HN1 GPN B 2 -15.176 -3.991 -3.215 1.00 0.00 H new HETATM 0 H8 GPN B 2 -18.523 -9.499 -3.853 1.00 0.00 H new HETATM 309 C8' GPN B 3 -12.991 -5.414 -1.125 1.00 0.00 C HETATM 310 C7' GPN B 3 -12.183 -6.322 -0.175 1.00 0.00 C HETATM 311 O7' GPN B 3 -10.958 -6.194 -0.083 1.00 0.00 O HETATM 312 C5' GPN B 3 -12.072 -8.192 1.436 1.00 0.00 C HETATM 313 C' GPN B 3 -11.810 -7.687 2.861 1.00 0.00 C HETATM 314 O1' GPN B 3 -11.672 -8.512 3.772 1.00 0.00 O HETATM 315 N4' GPN B 3 -12.824 -7.254 0.568 1.00 0.00 N HETATM 316 C3' GPN B 3 -14.261 -7.508 0.482 1.00 0.00 C HETATM 317 C2' GPN B 3 -15.004 -6.680 1.532 1.00 0.00 C HETATM 318 N1' GPN B 3 -16.396 -7.157 1.625 1.00 0.00 N HETATM 319 N9 GPN B 3 -12.130 -4.536 -1.954 1.00 0.00 N HETATM 320 C8 GPN B 3 -11.599 -4.810 -3.191 1.00 0.00 C HETATM 321 N7 GPN B 3 -10.861 -3.851 -3.682 1.00 0.00 N HETATM 322 C5 GPN B 3 -10.907 -2.858 -2.696 1.00 0.00 C HETATM 323 C6 GPN B 3 -10.305 -1.551 -2.635 1.00 0.00 C HETATM 324 O6 GPN B 3 -9.599 -0.976 -3.470 1.00 0.00 O HETATM 325 N1 GPN B 3 -10.584 -0.874 -1.458 1.00 0.00 N HETATM 326 C2 GPN B 3 -11.369 -1.367 -0.451 1.00 0.00 C HETATM 327 N2 GPN B 3 -11.570 -0.629 0.622 1.00 0.00 N HETATM 328 N3 GPN B 3 -11.956 -2.566 -0.482 1.00 0.00 N HETATM 329 C4 GPN B 3 -11.686 -3.271 -1.630 1.00 0.00 C HETATM 0 HN22 GPN B 3 -12.152 -0.981 1.382 1.00 0.00 H new HETATM 0 HN21 GPN B 3 -11.143 0.295 0.693 1.00 0.00 H new HETATM 0 H8'2 GPN B 3 -13.605 -6.034 -1.778 1.00 0.00 H new HETATM 0 H8'1 GPN B 3 -13.672 -4.798 -0.538 1.00 0.00 H new HETATM 0 H5'2 GPN B 3 -11.115 -8.413 0.963 1.00 0.00 H new HETATM 0 H5'1 GPN B 3 -12.623 -9.131 1.495 1.00 0.00 H new HETATM 0 H3'2 GPN B 3 -14.624 -7.256 -0.515 1.00 0.00 H new HETATM 0 H3'1 GPN B 3 -14.461 -8.568 0.636 1.00 0.00 H new HETATM 0 H2'2 GPN B 3 -14.510 -6.769 2.500 1.00 0.00 H new HETATM 0 H2'1 GPN B 3 -14.985 -5.624 1.261 1.00 0.00 H new HETATM 0 H1'3 GPN B 3 -16.898 -6.609 2.324 1.00 0.00 H new HETATM 0 HN1 GPN B 3 -10.177 0.053 -1.334 1.00 0.00 H new HETATM 0 H8 GPN B 3 -11.778 -5.747 -3.717 1.00 0.00 H new HETATM 343 C8' CPN B 4 -9.569 -3.504 1.974 1.00 0.00 C HETATM 344 C7' CPN B 4 -8.836 -4.196 3.144 1.00 0.00 C HETATM 345 O7' CPN B 4 -7.613 -4.355 3.074 1.00 0.00 O HETATM 346 C5' CPN B 4 -8.839 -5.277 5.360 1.00 0.00 C HETATM 347 C' CPN B 4 -8.733 -4.410 6.622 1.00 0.00 C HETATM 348 O1' CPN B 4 -9.713 -4.280 7.366 1.00 0.00 O HETATM 349 N4' CPN B 4 -9.530 -4.598 4.236 1.00 0.00 N HETATM 350 C3' CPN B 4 -10.977 -4.385 4.404 1.00 0.00 C HETATM 351 C2' CPN B 4 -11.759 -5.705 4.394 1.00 0.00 C HETATM 352 N1' CPN B 4 -11.778 -6.356 3.071 1.00 0.00 N HETATM 353 N1 CPN B 4 -8.667 -3.057 0.871 1.00 0.00 N HETATM 354 C2 CPN B 4 -8.065 -1.803 0.960 1.00 0.00 C HETATM 355 N3 CPN B 4 -7.342 -1.315 -0.073 1.00 0.00 N HETATM 356 C4 CPN B 4 -7.179 -2.067 -1.146 1.00 0.00 C HETATM 357 C5 CPN B 4 -7.737 -3.370 -1.275 1.00 0.00 C HETATM 358 C6 CPN B 4 -8.480 -3.836 -0.244 1.00 0.00 C HETATM 359 O2 CPN B 4 -8.173 -1.095 1.964 1.00 0.00 O HETATM 360 N4 CPN B 4 -6.464 -1.554 -2.115 1.00 0.00 N HETATM 0 HN42 CPN B 4 -6.304 -2.089 -2.969 1.00 0.00 H new HETATM 0 HN41 CPN B 4 -6.067 -0.620 -2.016 1.00 0.00 H new HETATM 0 H8'2 CPN B 4 -10.311 -4.191 1.567 1.00 0.00 H new HETATM 0 H8'1 CPN B 4 -10.111 -2.640 2.359 1.00 0.00 H new HETATM 0 H5'2 CPN B 4 -7.837 -5.565 5.041 1.00 0.00 H new HETATM 0 H5'1 CPN B 4 -9.372 -6.196 5.603 1.00 0.00 H new HETATM 0 H3'2 CPN B 4 -11.160 -3.863 5.343 1.00 0.00 H new HETATM 0 H3'1 CPN B 4 -11.343 -3.741 3.605 1.00 0.00 H new HETATM 0 H2'2 CPN B 4 -11.319 -6.387 5.122 1.00 0.00 H new HETATM 0 H2'1 CPN B 4 -12.784 -5.516 4.714 1.00 0.00 H new HETATM 0 H1'3 CPN B 4 -12.310 -7.225 3.127 1.00 0.00 H new HETATM 0 H6 CPN B 4 -8.929 -4.828 -0.299 1.00 0.00 H new HETATM 0 H5 CPN B 4 -7.572 -3.970 -2.170 1.00 0.00 H new HETATM 374 C8' APN B 5 -5.501 -1.656 4.950 1.00 0.00 C HETATM 375 C7' APN B 5 -4.619 -2.322 6.029 1.00 0.00 C HETATM 376 O7' APN B 5 -3.566 -2.873 5.697 1.00 0.00 O HETATM 377 C5' APN B 5 -4.084 -2.709 8.402 1.00 0.00 C HETATM 378 C' APN B 5 -3.337 -1.529 9.041 1.00 0.00 C HETATM 379 O1' APN B 5 -3.740 -0.368 8.903 1.00 0.00 O HETATM 380 N4' APN B 5 -5.011 -2.296 7.324 1.00 0.00 N HETATM 381 C3' APN B 5 -6.323 -1.831 7.779 1.00 0.00 C HETATM 382 C2' APN B 5 -7.242 -3.022 8.071 1.00 0.00 C HETATM 383 N1' APN B 5 -7.544 -3.830 6.871 1.00 0.00 N HETATM 384 N9 APN B 5 -4.822 -1.529 3.639 1.00 0.00 N HETATM 385 C8 APN B 5 -4.988 -2.290 2.510 1.00 0.00 C HETATM 386 N7 APN B 5 -4.343 -1.844 1.465 1.00 0.00 N HETATM 387 C5 APN B 5 -3.639 -0.743 1.967 1.00 0.00 C HETATM 388 C6 APN B 5 -2.709 0.180 1.424 1.00 0.00 C HETATM 389 N6 APN B 5 -2.318 0.204 0.164 1.00 0.00 N HETATM 390 N1 APN B 5 -2.111 1.086 2.203 1.00 0.00 N HETATM 391 C2 APN B 5 -2.438 1.097 3.492 1.00 0.00 C HETATM 392 N3 APN B 5 -3.317 0.333 4.135 1.00 0.00 N HETATM 393 C4 APN B 5 -3.889 -0.578 3.304 1.00 0.00 C HETATM 0 HN62 APN B 5 -1.643 0.903 -0.147 1.00 0.00 H new HETATM 0 HN61 APN B 5 -2.690 -0.476 -0.499 1.00 0.00 H new HETATM 0 H8'2 APN B 5 -6.413 -2.239 4.825 1.00 0.00 H new HETATM 0 H8'1 APN B 5 -5.800 -0.666 5.294 1.00 0.00 H new HETATM 0 H5'2 APN B 5 -3.358 -3.415 7.998 1.00 0.00 H new HETATM 0 H5'1 APN B 5 -4.645 -3.236 9.173 1.00 0.00 H new HETATM 0 H3'2 APN B 5 -6.209 -1.223 8.677 1.00 0.00 H new HETATM 0 H3'1 APN B 5 -6.774 -1.194 7.018 1.00 0.00 H new HETATM 0 H2'2 APN B 5 -6.774 -3.659 8.822 1.00 0.00 H new HETATM 0 H2'1 APN B 5 -8.175 -2.657 8.500 1.00 0.00 H new HETATM 0 H1'2 APN B 5 -8.157 -4.604 7.127 1.00 0.00 H new HETATM 0 H8 APN B 5 -5.604 -3.189 2.487 1.00 0.00 H new HETATM 0 H2 APN B 5 -1.915 1.831 4.105 1.00 0.00 H new HETATM 407 C8' TPN B 6 -0.518 -0.268 6.987 1.00 0.00 C HETATM 408 C7' TPN B 6 0.585 -0.842 7.902 1.00 0.00 C HETATM 409 O7' TPN B 6 1.547 -1.428 7.394 1.00 0.00 O HETATM 410 C5' TPN B 6 1.564 -1.237 10.122 1.00 0.00 C HETATM 411 C' TPN B 6 2.754 -0.300 10.387 1.00 0.00 C HETATM 412 O1' TPN B 6 3.733 -0.741 10.997 1.00 0.00 O HETATM 413 N4' TPN B 6 0.505 -0.683 9.245 1.00 0.00 N HETATM 414 C3' TPN B 6 -0.568 0.043 9.934 1.00 0.00 C HETATM 415 C2' TPN B 6 -1.533 -0.902 10.661 1.00 0.00 C HETATM 416 N1' TPN B 6 -2.240 -1.833 9.760 1.00 0.00 N HETATM 417 N1 TPN B 6 -0.205 -0.443 5.542 1.00 0.00 N HETATM 418 C6 TPN B 6 -0.662 -1.552 4.861 1.00 0.00 C HETATM 419 C2 TPN B 6 0.536 0.555 4.895 1.00 0.00 C HETATM 420 O2 TPN B 6 0.921 1.584 5.443 1.00 0.00 O HETATM 421 N3 TPN B 6 0.809 0.348 3.561 1.00 0.00 N HETATM 422 C4 TPN B 6 0.430 -0.745 2.818 1.00 0.00 C HETATM 423 O4 TPN B 6 0.765 -0.806 1.634 1.00 0.00 O HETATM 424 C5 TPN B 6 -0.380 -1.722 3.542 1.00 0.00 C HETATM 425 C5M TPN B 6 -0.956 -2.900 2.794 1.00 0.00 C HETATM 0 HM53 TPN B 6 -0.617 -3.826 3.258 1.00 0.00 H new HETATM 0 HM52 TPN B 6 -2.045 -2.855 2.827 1.00 0.00 H new HETATM 0 HM51 TPN B 6 -0.623 -2.870 1.757 1.00 0.00 H new HETATM 0 H8'2 TPN B 6 -1.465 -0.758 7.213 1.00 0.00 H new HETATM 0 H8'1 TPN B 6 -0.649 0.793 7.202 1.00 0.00 H new HETATM 0 H5'2 TPN B 6 1.940 -2.157 9.674 1.00 0.00 H new HETATM 0 H5'1 TPN B 6 1.116 -1.508 11.078 1.00 0.00 H new HETATM 0 H3'2 TPN B 6 -0.132 0.737 10.652 1.00 0.00 H new HETATM 0 H3'1 TPN B 6 -1.123 0.640 9.211 1.00 0.00 H new HETATM 0 H2'2 TPN B 6 -0.976 -1.478 11.400 1.00 0.00 H new HETATM 0 H2'1 TPN B 6 -2.267 -0.309 11.206 1.00 0.00 H new HETATM 0 H1'2 TPN B 6 -2.862 -2.429 10.306 1.00 0.00 H new HETATM 0 HN3 TPN B 6 1.342 1.073 3.080 1.00 0.00 H new HETATM 0 H6 TPN B 6 -1.256 -2.300 5.386 1.00 0.00 H new HETATM 440 C8' GPN B 7 3.950 0.999 6.525 1.00 0.00 C HETATM 441 C7' GPN B 7 5.093 0.591 7.482 1.00 0.00 C HETATM 442 O7' GPN B 7 5.782 -0.398 7.204 1.00 0.00 O HETATM 443 C5' GPN B 7 6.468 0.936 9.502 1.00 0.00 C HETATM 444 C' GPN B 7 7.708 1.841 9.437 1.00 0.00 C HETATM 445 O1' GPN B 7 8.631 1.638 10.233 1.00 0.00 O HETATM 446 N4' GPN B 7 5.344 1.309 8.607 1.00 0.00 N HETATM 447 C3' GPN B 7 4.518 2.433 9.070 1.00 0.00 C HETATM 448 C2' GPN B 7 3.639 2.050 10.265 1.00 0.00 C HETATM 449 N1' GPN B 7 2.675 0.976 9.957 1.00 0.00 N HETATM 450 N9 GPN B 7 4.140 0.430 5.167 1.00 0.00 N HETATM 451 C8 GPN B 7 3.677 -0.760 4.653 1.00 0.00 C HETATM 452 N7 GPN B 7 4.098 -1.017 3.444 1.00 0.00 N HETATM 453 C5 GPN B 7 4.896 0.089 3.123 1.00 0.00 C HETATM 454 C6 GPN B 7 5.668 0.403 1.947 1.00 0.00 C HETATM 455 O6 GPN B 7 5.825 -0.257 0.915 1.00 0.00 O HETATM 456 N1 GPN B 7 6.312 1.630 2.028 1.00 0.00 N HETATM 457 C2 GPN B 7 6.245 2.468 3.106 1.00 0.00 C HETATM 458 N2 GPN B 7 6.905 3.607 3.078 1.00 0.00 N HETATM 459 N3 GPN B 7 5.569 2.192 4.223 1.00 0.00 N HETATM 460 C4 GPN B 7 4.906 0.991 4.170 1.00 0.00 C HETATM 0 HN22 GPN B 7 6.863 4.241 3.876 1.00 0.00 H new HETATM 0 HN21 GPN B 7 7.458 3.856 2.258 1.00 0.00 H new HETATM 0 H8'2 GPN B 7 2.997 0.660 6.931 1.00 0.00 H new HETATM 0 H8'1 GPN B 7 3.900 2.086 6.460 1.00 0.00 H new HETATM 0 H5'2 GPN B 7 6.773 -0.083 9.264 1.00 0.00 H new HETATM 0 H5'1 GPN B 7 6.102 0.928 10.529 1.00 0.00 H new HETATM 0 H3'2 GPN B 7 5.164 3.266 9.348 1.00 0.00 H new HETATM 0 H3'1 GPN B 7 3.886 2.779 8.252 1.00 0.00 H new HETATM 0 H2'2 GPN B 7 4.277 1.731 11.090 1.00 0.00 H new HETATM 0 H2'1 GPN B 7 3.095 2.931 10.605 1.00 0.00 H new HETATM 0 H1'3 GPN B 7 2.122 0.767 10.788 1.00 0.00 H new HETATM 0 HN1 GPN B 7 6.873 1.926 1.229 1.00 0.00 H new HETATM 0 H8 GPN B 7 3.017 -1.429 5.206 1.00 0.00 H new HETATM 474 C8' CPN B 8 8.708 1.500 5.495 1.00 0.00 C HETATM 475 C7' CPN B 8 9.944 1.444 6.416 1.00 0.00 C HETATM 476 O7' CPN B 8 10.570 0.383 6.499 1.00 0.00 O HETATM 477 C5' CPN B 8 11.589 2.506 7.909 1.00 0.00 C HETATM 478 C' CPN B 8 12.878 2.874 7.156 1.00 0.00 C HETATM 479 O1' CPN B 8 13.961 2.744 7.739 1.00 0.00 O HETATM 480 N4' CPN B 8 10.349 2.542 7.098 1.00 0.00 N HETATM 481 C3' CPN B 8 9.609 3.808 7.163 1.00 0.00 C HETATM 482 C2' CPN B 8 8.770 3.891 8.441 1.00 0.00 C HETATM 483 N1' CPN B 8 7.736 2.839 8.529 1.00 0.00 N HETATM 484 N1 CPN B 8 8.770 0.495 4.397 1.00 0.00 N HETATM 485 C2 CPN B 8 9.605 0.746 3.312 1.00 0.00 C HETATM 486 N3 CPN B 8 9.655 -0.116 2.275 1.00 0.00 N HETATM 487 C4 CPN B 8 8.907 -1.203 2.315 1.00 0.00 C HETATM 488 C5 CPN B 8 8.052 -1.522 3.409 1.00 0.00 C HETATM 489 C6 CPN B 8 8.008 -0.645 4.441 1.00 0.00 C HETATM 490 O2 CPN B 8 10.308 1.756 3.250 1.00 0.00 O HETATM 491 N4 CPN B 8 8.986 -1.992 1.274 1.00 0.00 N HETATM 0 HN42 CPN B 8 8.434 -2.849 1.241 1.00 0.00 H new HETATM 0 HN41 CPN B 8 9.600 -1.750 0.496 1.00 0.00 H new HETATM 0 H8'2 CPN B 8 7.809 1.331 6.088 1.00 0.00 H new HETATM 0 H8'1 CPN B 8 8.624 2.498 5.065 1.00 0.00 H new HETATM 0 H5'2 CPN B 8 11.703 1.504 8.323 1.00 0.00 H new HETATM 0 H5'1 CPN B 8 11.473 3.188 8.751 1.00 0.00 H new HETATM 0 H3'2 CPN B 8 10.308 4.644 7.128 1.00 0.00 H new HETATM 0 H3'1 CPN B 8 8.960 3.899 6.292 1.00 0.00 H new HETATM 0 H2'2 CPN B 8 9.429 3.816 9.306 1.00 0.00 H new HETATM 0 H2'1 CPN B 8 8.290 4.868 8.490 1.00 0.00 H new HETATM 0 H1'3 CPN B 8 7.292 2.874 9.446 1.00 0.00 H new HETATM 0 H6 CPN B 8 7.370 -0.844 5.302 1.00 0.00 H new HETATM 0 H5 CPN B 8 7.457 -2.435 3.416 1.00 0.00 H new HETATM 505 C8' CPN B 9 13.170 0.209 4.606 1.00 0.00 C HETATM 506 C7' CPN B 9 14.635 0.540 4.952 1.00 0.00 C HETATM 507 O7' CPN B 9 15.321 -0.358 5.452 1.00 0.00 O HETATM 508 C5' CPN B 9 16.554 2.069 5.076 1.00 0.00 C HETATM 509 C' CPN B 9 17.614 1.525 4.106 1.00 0.00 C HETATM 510 O1' CPN B 9 18.807 1.730 4.343 1.00 0.00 O HETATM 511 N4' CPN B 9 15.154 1.767 4.709 1.00 0.00 N HETATM 512 C3' CPN B 9 14.451 2.868 4.054 1.00 0.00 C HETATM 513 C2' CPN B 9 13.900 3.867 5.079 1.00 0.00 C HETATM 514 N1' CPN B 9 12.786 3.329 5.891 1.00 0.00 N HETATM 515 N1 CPN B 9 13.023 -0.819 3.537 1.00 0.00 N HETATM 516 C2 CPN B 9 13.643 -0.634 2.298 1.00 0.00 C HETATM 517 N3 CPN B 9 13.517 -1.562 1.325 1.00 0.00 N HETATM 518 C4 CPN B 9 12.781 -2.633 1.562 1.00 0.00 C HETATM 519 C5 CPN B 9 12.110 -2.867 2.795 1.00 0.00 C HETATM 520 C6 CPN B 9 12.252 -1.933 3.766 1.00 0.00 C HETATM 521 O2 CPN B 9 14.310 0.370 2.038 1.00 0.00 O HETATM 522 N4 CPN B 9 12.711 -3.505 0.590 1.00 0.00 N HETATM 0 HN42 CPN B 9 12.159 -4.355 0.706 1.00 0.00 H new HETATM 0 HN41 CPN B 9 13.208 -3.335 -0.284 1.00 0.00 H new HETATM 0 H8'2 CPN B 9 12.664 -0.141 5.506 1.00 0.00 H new HETATM 0 H8'1 CPN B 9 12.665 1.122 4.291 1.00 0.00 H new HETATM 0 H5'2 CPN B 9 16.749 1.662 6.068 1.00 0.00 H new HETATM 0 H5'1 CPN B 9 16.670 3.151 5.147 1.00 0.00 H new HETATM 0 H3'2 CPN B 9 15.129 3.381 3.372 1.00 0.00 H new HETATM 0 H3'1 CPN B 9 13.633 2.473 3.452 1.00 0.00 H new HETATM 0 H2'2 CPN B 9 14.707 4.175 5.744 1.00 0.00 H new HETATM 0 H2'1 CPN B 9 13.559 4.760 4.556 1.00 0.00 H new HETATM 0 H1'3 CPN B 9 12.469 4.041 6.549 1.00 0.00 H new HETATM 0 H6 CPN B 9 11.755 -2.065 4.727 1.00 0.00 H new HETATM 0 H5 CPN B 9 11.507 -3.761 2.952 1.00 0.00 H new TER 536 CPN B 9 HETATM 537 N NME A 10 -18.530 3.563 -0.986 1.00 0.00 N HETATM 538 C NME A 10 -19.798 3.081 -0.439 1.00 0.00 C HETATM 543 N NME B 10 17.213 0.842 3.023 1.00 0.00 N HETATM 544 C NME B 10 18.114 0.243 2.037 1.00 0.00 C