USER MOD reduce.3.24.130724 H: found=0, std=0, add=216, rem=0, adj=6 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 GPNH1'2 : 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 CPNH1'2 : 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 GPNH1'3 : 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 APNH1'2 : 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 CPNH1'3 : 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 8 CPN C' :...(NH2R) USER MOD NoAdj-H: B 9 CPNH1'1 : B 9 CPN N1' : B 8 CPN C' :...(NH2R) USER MOD Single : A 2 GPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GPN N1' :NH3+ 180:sc= -0.0753 (180deg=-0.0753) USER MOD Single : A 4 CPN N1' :NH3+ 171:sc= -0.0463 (180deg=-0.186) USER MOD Single : A 5 APN N1' :NH3+ 171:sc= 0 (180deg=-0.103) 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= -0.0046 (180deg=-0.0998) USER MOD Single : A 9 CPN N1' :NH3+ 178:sc= 0 (180deg=-0.00666) USER MOD Single : B 2 GPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 GPN N1' :NH3+ 179:sc= 0 (180deg=-0.0022) USER MOD Single : B 4 CPN N1' :NH3+ 175:sc= 0 (180deg=-0.0429) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 CPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 20.607 4.862 -6.965 1.00 0.00 C HETATM 2 O ACE A 1 21.805 5.069 -6.764 1.00 0.00 O HETATM 3 CH3 ACE A 1 19.845 5.794 -7.895 1.00 0.00 C HETATM 0 H1 ACE A 1 19.440 5.223 -8.731 1.00 0.00 H new HETATM 0 H2 ACE A 1 19.028 6.266 -7.348 1.00 0.00 H new HETATM 0 H3 ACE A 1 20.520 6.562 -8.273 1.00 0.00 H new HETATM 7 C8' GPN A 2 17.701 0.188 -5.821 1.00 0.00 C HETATM 8 C7' GPN A 2 16.643 0.828 -6.752 1.00 0.00 C HETATM 9 O7' GPN A 2 15.482 0.399 -6.754 1.00 0.00 O HETATM 10 C5' GPN A 2 16.096 2.343 -8.628 1.00 0.00 C HETATM 11 C' GPN A 2 15.395 3.669 -8.318 1.00 0.00 C HETATM 12 O1' GPN A 2 14.934 4.338 -9.250 1.00 0.00 O HETATM 13 N4' GPN A 2 17.005 1.851 -7.564 1.00 0.00 N HETATM 14 C3' GPN A 2 18.366 2.389 -7.603 1.00 0.00 C HETATM 15 C2' GPN A 2 18.539 3.464 -6.523 1.00 0.00 C HETATM 16 N1' GPN A 2 19.963 3.835 -6.387 1.00 0.00 N HETATM 17 N9 GPN A 2 17.108 -0.757 -4.847 1.00 0.00 N HETATM 18 C8 GPN A 2 16.956 -2.116 -4.984 1.00 0.00 C HETATM 19 N7 GPN A 2 16.373 -2.693 -3.969 1.00 0.00 N HETATM 20 C5 GPN A 2 16.116 -1.635 -3.086 1.00 0.00 C HETATM 21 C6 GPN A 2 15.491 -1.618 -1.790 1.00 0.00 C HETATM 22 O6 GPN A 2 15.031 -2.559 -1.137 1.00 0.00 O HETATM 23 N1 GPN A 2 15.417 -0.352 -1.232 1.00 0.00 N HETATM 24 C2 GPN A 2 15.893 0.786 -1.830 1.00 0.00 C HETATM 25 N2 GPN A 2 15.725 1.938 -1.209 1.00 0.00 N HETATM 26 N3 GPN A 2 16.504 0.801 -3.026 1.00 0.00 N HETATM 27 C4 GPN A 2 16.576 -0.442 -3.611 1.00 0.00 C HETATM 0 HN22 GPN A 2 16.069 2.800 -1.632 1.00 0.00 H new HETATM 0 HN21 GPN A 2 15.251 1.966 -0.306 1.00 0.00 H new HETATM 0 H8'2 GPN A 2 18.441 -0.336 -6.425 1.00 0.00 H new HETATM 0 H8'1 GPN A 2 18.229 0.975 -5.282 1.00 0.00 H new HETATM 0 H5'2 GPN A 2 15.337 1.584 -8.817 1.00 0.00 H new HETATM 0 H5'1 GPN A 2 16.668 2.458 -9.549 1.00 0.00 H new HETATM 0 H3'2 GPN A 2 19.087 1.587 -7.447 1.00 0.00 H new HETATM 0 H3'1 GPN A 2 18.569 2.814 -8.586 1.00 0.00 H new HETATM 0 H2'2 GPN A 2 17.950 4.345 -6.780 1.00 0.00 H new HETATM 0 H2'1 GPN A 2 18.160 3.095 -5.570 1.00 0.00 H new HETATM 0 H1'3 GPN A 2 20.061 4.550 -5.666 1.00 0.00 H new HETATM 0 HN1 GPN A 2 14.979 -0.261 -0.315 1.00 0.00 H new HETATM 0 H8 GPN A 2 17.293 -2.664 -5.864 1.00 0.00 H new HETATM 41 C8' GPN A 3 13.647 2.568 -4.193 1.00 0.00 C HETATM 42 C7' GPN A 3 12.601 3.284 -5.078 1.00 0.00 C HETATM 43 O7' GPN A 3 11.568 2.680 -5.388 1.00 0.00 O HETATM 44 C5' GPN A 3 11.791 5.259 -6.322 1.00 0.00 C HETATM 45 C' GPN A 3 11.088 6.443 -5.642 1.00 0.00 C HETATM 46 O1' GPN A 3 10.400 7.202 -6.333 1.00 0.00 O HETATM 47 N4' GPN A 3 12.813 4.558 -5.501 1.00 0.00 N HETATM 48 C3' GPN A 3 14.063 5.303 -5.282 1.00 0.00 C HETATM 49 C2' GPN A 3 14.898 5.388 -6.562 1.00 0.00 C HETATM 50 N1' GPN A 3 15.345 4.068 -7.034 1.00 0.00 N HETATM 51 N9 GPN A 3 13.059 1.422 -3.455 1.00 0.00 N HETATM 52 C8 GPN A 3 12.918 0.121 -3.874 1.00 0.00 C HETATM 53 N7 GPN A 3 12.287 -0.648 -3.025 1.00 0.00 N HETATM 54 C5 GPN A 3 11.997 0.206 -1.953 1.00 0.00 C HETATM 55 C6 GPN A 3 11.301 -0.020 -0.711 1.00 0.00 C HETATM 56 O6 GPN A 3 10.772 -1.052 -0.286 1.00 0.00 O HETATM 57 N1 GPN A 3 11.223 1.112 0.087 1.00 0.00 N HETATM 58 C2 GPN A 3 11.758 2.327 -0.243 1.00 0.00 C HETATM 59 N2 GPN A 3 11.602 3.346 0.574 1.00 0.00 N HETATM 60 N3 GPN A 3 12.414 2.570 -1.380 1.00 0.00 N HETATM 61 C4 GPN A 3 12.492 1.473 -2.201 1.00 0.00 C HETATM 0 HN22 GPN A 3 11.997 4.256 0.336 1.00 0.00 H new HETATM 0 HN21 GPN A 3 11.086 3.227 1.445 1.00 0.00 H new HETATM 0 H8'2 GPN A 3 14.469 2.215 -4.816 1.00 0.00 H new HETATM 0 H8'1 GPN A 3 14.069 3.279 -3.483 1.00 0.00 H new HETATM 0 H5'2 GPN A 3 11.034 4.535 -6.623 1.00 0.00 H new HETATM 0 H5'1 GPN A 3 12.268 5.618 -7.234 1.00 0.00 H new HETATM 0 H3'2 GPN A 3 13.832 6.308 -4.930 1.00 0.00 H new HETATM 0 H3'1 GPN A 3 14.645 4.817 -4.499 1.00 0.00 H new HETATM 0 H2'2 GPN A 3 14.310 5.869 -7.344 1.00 0.00 H new HETATM 0 H2'1 GPN A 3 15.768 6.020 -6.383 1.00 0.00 H new HETATM 0 H1'3 GPN A 3 15.895 4.179 -7.886 1.00 0.00 H new HETATM 0 HN1 GPN A 3 10.734 1.033 0.979 1.00 0.00 H new HETATM 0 H8 GPN A 3 13.299 -0.239 -4.830 1.00 0.00 H new HETATM 75 C8' CPN A 4 9.395 4.513 -2.056 1.00 0.00 C HETATM 76 C7' CPN A 4 8.380 5.437 -2.763 1.00 0.00 C HETATM 77 O7' CPN A 4 7.327 4.954 -3.186 1.00 0.00 O HETATM 78 C5' CPN A 4 7.689 7.643 -3.623 1.00 0.00 C HETATM 79 C' CPN A 4 6.826 8.570 -2.751 1.00 0.00 C HETATM 80 O1' CPN A 4 6.165 9.455 -3.305 1.00 0.00 O HETATM 81 N4' CPN A 4 8.638 6.763 -2.895 1.00 0.00 N HETATM 82 C3' CPN A 4 9.857 7.420 -2.402 1.00 0.00 C HETATM 83 C2' CPN A 4 10.814 7.791 -3.538 1.00 0.00 C HETATM 84 N1' CPN A 4 11.273 6.625 -4.319 1.00 0.00 N HETATM 85 N1 CPN A 4 8.896 3.116 -1.876 1.00 0.00 N HETATM 86 C2 CPN A 4 8.195 2.789 -0.713 1.00 0.00 C HETATM 87 N3 CPN A 4 7.749 1.531 -0.516 1.00 0.00 N HETATM 88 C4 CPN A 4 7.964 0.622 -1.451 1.00 0.00 C HETATM 89 C5 CPN A 4 8.663 0.902 -2.659 1.00 0.00 C HETATM 90 C6 CPN A 4 9.119 2.164 -2.840 1.00 0.00 C HETATM 91 O2 CPN A 4 7.956 3.621 0.164 1.00 0.00 O HETATM 92 N4 CPN A 4 7.483 -0.574 -1.223 1.00 0.00 N HETATM 0 HN42 CPN A 4 7.618 -1.317 -1.909 1.00 0.00 H new HETATM 0 HN41 CPN A 4 6.974 -0.763 -0.360 1.00 0.00 H new HETATM 0 H8'2 CPN A 4 10.319 4.490 -2.634 1.00 0.00 H new HETATM 0 H8'1 CPN A 4 9.640 4.933 -1.080 1.00 0.00 H new HETATM 0 H5'2 CPN A 4 7.026 7.015 -4.218 1.00 0.00 H new HETATM 0 H5'1 CPN A 4 8.257 8.258 -4.321 1.00 0.00 H new HETATM 0 H3'2 CPN A 4 9.585 8.320 -1.850 1.00 0.00 H new HETATM 0 H3'1 CPN A 4 10.366 6.758 -1.702 1.00 0.00 H new HETATM 0 H2'2 CPN A 4 10.318 8.495 -4.206 1.00 0.00 H new HETATM 0 H2'1 CPN A 4 11.680 8.304 -3.121 1.00 0.00 H new HETATM 0 H1'3 CPN A 4 11.781 6.946 -5.143 1.00 0.00 H new HETATM 0 H6 CPN A 4 9.662 2.424 -3.749 1.00 0.00 H new HETATM 0 H5 CPN A 4 8.825 0.129 -3.410 1.00 0.00 H new HETATM 106 C8' APN A 5 4.806 5.792 -0.079 1.00 0.00 C HETATM 107 C7' APN A 5 3.905 6.810 -0.815 1.00 0.00 C HETATM 108 O7' APN A 5 3.079 6.399 -1.637 1.00 0.00 O HETATM 109 C5' APN A 5 3.192 9.123 -1.280 1.00 0.00 C HETATM 110 C' APN A 5 1.962 9.672 -0.537 1.00 0.00 C HETATM 111 O1' APN A 5 1.139 10.337 -1.175 1.00 0.00 O HETATM 112 N4' APN A 5 4.029 8.136 -0.553 1.00 0.00 N HETATM 113 C3' APN A 5 5.051 8.696 0.342 1.00 0.00 C HETATM 114 C2' APN A 5 6.220 9.318 -0.432 1.00 0.00 C HETATM 115 N1' APN A 5 6.845 8.406 -1.413 1.00 0.00 N HETATM 116 N9 APN A 5 4.418 4.380 -0.312 1.00 0.00 N HETATM 117 C8 APN A 5 4.927 3.490 -1.226 1.00 0.00 C HETATM 118 N7 APN A 5 4.444 2.281 -1.122 1.00 0.00 N HETATM 119 C5 APN A 5 3.512 2.393 -0.084 1.00 0.00 C HETATM 120 C6 APN A 5 2.603 1.504 0.549 1.00 0.00 C HETATM 121 N6 APN A 5 2.460 0.225 0.255 1.00 0.00 N HETATM 122 N1 APN A 5 1.765 1.942 1.495 1.00 0.00 N HETATM 123 C2 APN A 5 1.836 3.226 1.830 1.00 0.00 C HETATM 124 N3 APN A 5 2.647 4.167 1.354 1.00 0.00 N HETATM 125 C4 APN A 5 3.471 3.679 0.391 1.00 0.00 C HETATM 0 HN62 APN A 5 1.780 -0.342 0.762 1.00 0.00 H new HETATM 0 HN61 APN A 5 3.029 -0.196 -0.479 1.00 0.00 H new HETATM 0 H8'2 APN A 5 5.838 5.934 -0.400 1.00 0.00 H new HETATM 0 H8'1 APN A 5 4.773 5.997 0.991 1.00 0.00 H new HETATM 0 H5'2 APN A 5 2.851 8.662 -2.207 1.00 0.00 H new HETATM 0 H5'1 APN A 5 3.825 9.966 -1.558 1.00 0.00 H new HETATM 0 H3'2 APN A 5 4.597 9.453 0.981 1.00 0.00 H new HETATM 0 H3'1 APN A 5 5.428 7.911 0.997 1.00 0.00 H new HETATM 0 H2'2 APN A 5 5.865 10.207 -0.953 1.00 0.00 H new HETATM 0 H2'1 APN A 5 6.979 9.646 0.278 1.00 0.00 H new HETATM 0 H1'3 APN A 5 7.507 8.927 -1.989 1.00 0.00 H new HETATM 0 H8 APN A 5 5.670 3.769 -1.973 1.00 0.00 H new HETATM 0 H2 APN A 5 1.135 3.552 2.598 1.00 0.00 H new HETATM 139 C8' TPN A 6 -0.210 6.490 1.108 1.00 0.00 C HETATM 140 C7' TPN A 6 -1.210 7.547 0.607 1.00 0.00 C HETATM 141 O7' TPN A 6 -2.055 7.234 -0.241 1.00 0.00 O HETATM 142 C5' TPN A 6 -2.113 9.826 0.624 1.00 0.00 C HETATM 143 C' TPN A 6 -3.509 9.799 1.268 1.00 0.00 C HETATM 144 O1' TPN A 6 -4.388 10.542 0.816 1.00 0.00 O HETATM 145 N4' TPN A 6 -1.169 8.799 1.118 1.00 0.00 N HETATM 146 C3' TPN A 6 -0.265 9.225 2.193 1.00 0.00 C HETATM 147 C2' TPN A 6 0.870 10.119 1.678 1.00 0.00 C HETATM 148 N1' TPN A 6 1.828 9.433 0.784 1.00 0.00 N HETATM 149 N1 TPN A 6 -0.427 5.156 0.485 1.00 0.00 N HETATM 150 C6 TPN A 6 0.215 4.841 -0.696 1.00 0.00 C HETATM 151 C2 TPN A 6 -1.186 4.207 1.182 1.00 0.00 C HETATM 152 O2 TPN A 6 -1.742 4.431 2.254 1.00 0.00 O HETATM 153 N3 TPN A 6 -1.254 2.949 0.631 1.00 0.00 N HETATM 154 C4 TPN A 6 -0.650 2.548 -0.538 1.00 0.00 C HETATM 155 O4 TPN A 6 -0.792 1.383 -0.911 1.00 0.00 O HETATM 156 C5 TPN A 6 0.139 3.583 -1.204 1.00 0.00 C HETATM 157 C5M TPN A 6 0.943 3.220 -2.426 1.00 0.00 C HETATM 0 HM53 TPN A 6 0.650 3.860 -3.258 1.00 0.00 H new HETATM 0 HM52 TPN A 6 2.004 3.359 -2.218 1.00 0.00 H new HETATM 0 HM51 TPN A 6 0.758 2.178 -2.687 1.00 0.00 H new HETATM 0 H8'2 TPN A 6 0.805 6.826 0.895 1.00 0.00 H new HETATM 0 H8'1 TPN A 6 -0.295 6.399 2.191 1.00 0.00 H new HETATM 0 H5'2 TPN A 6 -2.225 9.704 -0.453 1.00 0.00 H new HETATM 0 H5'1 TPN A 6 -1.673 10.810 0.790 1.00 0.00 H new HETATM 0 H3'2 TPN A 6 -0.834 9.764 2.951 1.00 0.00 H new HETATM 0 H3'1 TPN A 6 0.159 8.346 2.678 1.00 0.00 H new HETATM 0 H2'2 TPN A 6 0.437 10.966 1.146 1.00 0.00 H new HETATM 0 H2'1 TPN A 6 1.414 10.524 2.532 1.00 0.00 H new HETATM 0 H1'3 TPN A 6 2.548 10.092 0.487 1.00 0.00 H new HETATM 0 HN3 TPN A 6 -1.801 2.251 1.134 1.00 0.00 H new HETATM 0 H6 TPN A 6 0.786 5.605 -1.224 1.00 0.00 H new HETATM 172 C8' GPN A 7 -4.708 5.458 1.435 1.00 0.00 C HETATM 173 C7' GPN A 7 -5.892 6.384 1.077 1.00 0.00 C HETATM 174 O7' GPN A 7 -6.463 6.235 -0.011 1.00 0.00 O HETATM 175 C5' GPN A 7 -7.514 8.150 1.646 1.00 0.00 C HETATM 176 C' GPN A 7 -8.804 7.736 2.372 1.00 0.00 C HETATM 177 O1' GPN A 7 -9.829 8.399 2.183 1.00 0.00 O HETATM 178 N4' GPN A 7 -6.310 7.334 1.951 1.00 0.00 N HETATM 179 C3' GPN A 7 -5.642 7.640 3.225 1.00 0.00 C HETATM 180 C2' GPN A 7 -4.907 8.985 3.194 1.00 0.00 C HETATM 181 N1' GPN A 7 -3.716 8.984 2.322 1.00 0.00 N HETATM 182 N9 GPN A 7 -4.653 4.259 0.560 1.00 0.00 N HETATM 183 C8 GPN A 7 -4.044 4.121 -0.666 1.00 0.00 C HETATM 184 N7 GPN A 7 -4.243 2.962 -1.234 1.00 0.00 N HETATM 185 C5 GPN A 7 -5.042 2.271 -0.315 1.00 0.00 C HETATM 186 C6 GPN A 7 -5.631 0.957 -0.365 1.00 0.00 C HETATM 187 O6 GPN A 7 -5.572 0.108 -1.259 1.00 0.00 O HETATM 188 N1 GPN A 7 -6.362 0.641 0.771 1.00 0.00 N HETATM 189 C2 GPN A 7 -6.528 1.479 1.840 1.00 0.00 C HETATM 190 N2 GPN A 7 -7.256 1.075 2.860 1.00 0.00 N HETATM 191 N3 GPN A 7 -6.021 2.714 1.905 1.00 0.00 N HETATM 192 C4 GPN A 7 -5.282 3.054 0.799 1.00 0.00 C HETATM 0 HN22 GPN A 7 -7.390 1.687 3.665 1.00 0.00 H new HETATM 0 HN21 GPN A 7 -7.686 0.150 2.845 1.00 0.00 H new HETATM 0 H8'2 GPN A 7 -3.774 6.014 1.347 1.00 0.00 H new HETATM 0 H8'1 GPN A 7 -4.796 5.144 2.475 1.00 0.00 H new HETATM 0 H5'2 GPN A 7 -7.695 8.109 0.572 1.00 0.00 H new HETATM 0 H5'1 GPN A 7 -7.298 9.189 1.894 1.00 0.00 H new HETATM 0 H3'2 GPN A 7 -6.382 7.652 4.026 1.00 0.00 H new HETATM 0 H3'1 GPN A 7 -4.932 6.847 3.459 1.00 0.00 H new HETATM 0 H2'2 GPN A 7 -5.596 9.759 2.855 1.00 0.00 H new HETATM 0 H2'1 GPN A 7 -4.605 9.249 4.208 1.00 0.00 H new HETATM 0 H1'3 GPN A 7 -3.276 9.904 2.346 1.00 0.00 H new HETATM 0 HN1 GPN A 7 -6.805 -0.277 0.812 1.00 0.00 H new HETATM 0 H8 GPN A 7 -3.447 4.910 -1.123 1.00 0.00 H new HETATM 206 C8' CPN A 8 -9.392 3.624 1.382 1.00 0.00 C HETATM 207 C7' CPN A 8 -10.708 4.430 1.365 1.00 0.00 C HETATM 208 O7' CPN A 8 -11.334 4.527 0.306 1.00 0.00 O HETATM 209 C5' CPN A 8 -12.458 5.748 2.488 1.00 0.00 C HETATM 210 C' CPN A 8 -13.703 4.957 2.922 1.00 0.00 C HETATM 211 O1' CPN A 8 -14.810 5.498 2.832 1.00 0.00 O HETATM 212 N4' CPN A 8 -11.179 4.995 2.503 1.00 0.00 N HETATM 213 C3' CPN A 8 -10.491 4.951 3.799 1.00 0.00 C HETATM 214 C2' CPN A 8 -9.835 6.290 4.149 1.00 0.00 C HETATM 215 N1' CPN A 8 -8.765 6.682 3.212 1.00 0.00 N HETATM 216 N1 CPN A 8 -9.166 2.840 0.133 1.00 0.00 N HETATM 217 C2 CPN A 8 -9.772 1.589 0.003 1.00 0.00 C HETATM 218 N3 CPN A 8 -9.572 0.848 -1.108 1.00 0.00 N HETATM 219 C4 CPN A 8 -8.802 1.329 -2.067 1.00 0.00 C HETATM 220 C5 CPN A 8 -8.168 2.600 -1.993 1.00 0.00 C HETATM 221 C6 CPN A 8 -8.372 3.334 -0.873 1.00 0.00 C HETATM 222 O2 CPN A 8 -10.494 1.114 0.881 1.00 0.00 O HETATM 223 N4 CPN A 8 -8.656 0.570 -3.123 1.00 0.00 N HETATM 0 HN42 CPN A 8 -8.074 0.883 -3.900 1.00 0.00 H new HETATM 0 HN41 CPN A 8 -9.124 -0.335 -3.169 1.00 0.00 H new HETATM 0 H8'2 CPN A 8 -8.556 4.308 1.530 1.00 0.00 H new HETATM 0 H8'1 CPN A 8 -9.401 2.944 2.234 1.00 0.00 H new HETATM 0 H5'2 CPN A 8 -12.624 6.126 1.479 1.00 0.00 H new HETATM 0 H5'1 CPN A 8 -12.355 6.615 3.140 1.00 0.00 H new HETATM 0 H3'2 CPN A 8 -11.204 4.682 4.578 1.00 0.00 H new HETATM 0 H3'1 CPN A 8 -9.731 4.170 3.779 1.00 0.00 H new HETATM 0 H2'2 CPN A 8 -10.599 7.068 4.162 1.00 0.00 H new HETATM 0 H2'1 CPN A 8 -9.422 6.231 5.156 1.00 0.00 H new HETATM 0 H1'3 CPN A 8 -8.474 7.640 3.408 1.00 0.00 H new HETATM 0 H6 CPN A 8 -7.907 4.315 -0.770 1.00 0.00 H new HETATM 0 H5 CPN A 8 -7.542 2.969 -2.806 1.00 0.00 H new HETATM 237 C8' CPN A 9 -13.729 1.744 0.412 1.00 0.00 C HETATM 238 C7' CPN A 9 -15.154 2.295 0.638 1.00 0.00 C HETATM 239 O7' CPN A 9 -15.770 2.761 -0.329 1.00 0.00 O HETATM 240 C5' CPN A 9 -17.108 2.700 2.065 1.00 0.00 C HETATM 241 C' CPN A 9 -18.133 1.631 1.658 1.00 0.00 C HETATM 242 O1' CPN A 9 -17.789 0.474 1.398 1.00 0.00 O HETATM 243 N4' CPN A 9 -15.709 2.269 1.874 1.00 0.00 N HETATM 244 C3' CPN A 9 -15.070 1.741 3.082 1.00 0.00 C HETATM 245 C2' CPN A 9 -14.598 2.871 4.003 1.00 0.00 C HETATM 246 N1' CPN A 9 -13.541 3.707 3.401 1.00 0.00 N HETATM 247 N1 CPN A 9 -13.456 1.366 -1.004 1.00 0.00 N HETATM 248 C2 CPN A 9 -13.968 0.157 -1.481 1.00 0.00 C HETATM 249 N3 CPN A 9 -13.674 -0.264 -2.731 1.00 0.00 N HETATM 250 C4 CPN A 9 -12.912 0.496 -3.493 1.00 0.00 C HETATM 251 C5 CPN A 9 -12.393 1.754 -3.076 1.00 0.00 C HETATM 252 C6 CPN A 9 -12.689 2.164 -1.818 1.00 0.00 C HETATM 253 O2 CPN A 9 -14.669 -0.578 -0.785 1.00 0.00 O HETATM 254 N4 CPN A 9 -12.664 0.028 -4.688 1.00 0.00 N HETATM 0 HN42 CPN A 9 -12.082 0.561 -5.334 1.00 0.00 H new HETATM 0 HN41 CPN A 9 -13.053 -0.870 -4.975 1.00 0.00 H new HETATM 0 H8'2 CPN A 9 -13.004 2.495 0.726 1.00 0.00 H new HETATM 0 H8'1 CPN A 9 -13.580 0.871 1.048 1.00 0.00 H new HETATM 0 H5'2 CPN A 9 -17.285 3.604 1.483 1.00 0.00 H new HETATM 0 H5'1 CPN A 9 -17.261 2.960 3.112 1.00 0.00 H new HETATM 0 H3'2 CPN A 9 -15.772 1.102 3.618 1.00 0.00 H new HETATM 0 H3'1 CPN A 9 -14.220 1.117 2.803 1.00 0.00 H new HETATM 0 H2'2 CPN A 9 -15.449 3.502 4.260 1.00 0.00 H new HETATM 0 H2'1 CPN A 9 -14.227 2.442 4.934 1.00 0.00 H new HETATM 0 H1'3 CPN A 9 -13.293 4.458 4.045 1.00 0.00 H new HETATM 0 H6 CPN A 9 -12.320 3.123 -1.454 1.00 0.00 H new HETATM 0 H5 CPN A 9 -11.782 2.364 -3.742 1.00 0.00 H new TER 268 CPN A 9 HETATM 269 C ACE B 1 -18.643 -11.716 -4.824 1.00 0.00 C HETATM 270 O ACE B 1 -19.268 -11.268 -5.787 1.00 0.00 O HETATM 271 CH3 ACE B 1 -18.468 -13.222 -4.689 1.00 0.00 C HETATM 0 H1 ACE B 1 -17.406 -13.467 -4.691 1.00 0.00 H new HETATM 0 H2 ACE B 1 -18.916 -13.558 -3.754 1.00 0.00 H new HETATM 0 H3 ACE B 1 -18.957 -13.722 -5.525 1.00 0.00 H new HETATM 275 C8' GPN B 2 -16.162 -7.916 -3.539 1.00 0.00 C HETATM 276 C7' GPN B 2 -15.139 -8.790 -2.779 1.00 0.00 C HETATM 277 O7' GPN B 2 -13.930 -8.558 -2.895 1.00 0.00 O HETATM 278 C5' GPN B 2 -14.598 -10.679 -1.288 1.00 0.00 C HETATM 279 C' GPN B 2 -14.316 -10.308 0.176 1.00 0.00 C HETATM 280 O1' GPN B 2 -13.476 -10.963 0.803 1.00 0.00 O HETATM 281 N4' GPN B 2 -15.570 -9.807 -1.992 1.00 0.00 N HETATM 282 C3' GPN B 2 -16.976 -10.162 -1.788 1.00 0.00 C HETATM 283 C2' GPN B 2 -17.378 -11.341 -2.681 1.00 0.00 C HETATM 284 N1' GPN B 2 -18.119 -10.912 -3.883 1.00 0.00 N HETATM 285 N9 GPN B 2 -15.519 -6.782 -4.254 1.00 0.00 N HETATM 286 C8 GPN B 2 -14.947 -6.793 -5.503 1.00 0.00 C HETATM 287 N7 GPN B 2 -14.397 -5.660 -5.851 1.00 0.00 N HETATM 288 C5 GPN B 2 -14.617 -4.828 -4.745 1.00 0.00 C HETATM 289 C6 GPN B 2 -14.245 -3.457 -4.498 1.00 0.00 C HETATM 290 O6 GPN B 2 -13.639 -2.667 -5.229 1.00 0.00 O HETATM 291 N1 GPN B 2 -14.644 -2.996 -3.254 1.00 0.00 N HETATM 292 C2 GPN B 2 -15.342 -3.742 -2.339 1.00 0.00 C HETATM 293 N2 GPN B 2 -15.653 -3.194 -1.183 1.00 0.00 N HETATM 294 N3 GPN B 2 -15.732 -5.010 -2.550 1.00 0.00 N HETATM 295 C4 GPN B 2 -15.326 -5.504 -3.767 1.00 0.00 C HETATM 0 HN22 GPN B 2 -16.172 -3.730 -0.488 1.00 0.00 H new HETATM 0 HN21 GPN B 2 -15.375 -2.233 -0.983 1.00 0.00 H new HETATM 0 H8'2 GPN B 2 -16.702 -8.534 -4.256 1.00 0.00 H new HETATM 0 H8'1 GPN B 2 -16.898 -7.528 -2.835 1.00 0.00 H new HETATM 0 H5'2 GPN B 2 -13.656 -10.661 -1.837 1.00 0.00 H new HETATM 0 H5'1 GPN B 2 -14.966 -11.704 -1.320 1.00 0.00 H new HETATM 0 H3'2 GPN B 2 -17.142 -10.420 -0.742 1.00 0.00 H new HETATM 0 H3'1 GPN B 2 -17.608 -9.302 -2.008 1.00 0.00 H new HETATM 0 H2'2 GPN B 2 -16.483 -11.885 -2.984 1.00 0.00 H new HETATM 0 H2'1 GPN B 2 -17.993 -12.034 -2.107 1.00 0.00 H new HETATM 0 H1'2 GPN B 2 -18.363 -11.729 -4.442 1.00 0.00 H new HETATM 0 HN1 GPN B 2 -14.402 -2.038 -3.002 1.00 0.00 H new HETATM 0 H8 GPN B 2 -14.952 -7.671 -6.148 1.00 0.00 H new HETATM 309 C8' GPN B 3 -13.330 -6.194 -0.077 1.00 0.00 C HETATM 310 C7' GPN B 3 -12.387 -7.047 0.802 1.00 0.00 C HETATM 311 O7' GPN B 3 -11.209 -7.195 0.456 1.00 0.00 O HETATM 312 C5' GPN B 3 -11.943 -8.416 2.809 1.00 0.00 C HETATM 313 C' GPN B 3 -11.530 -7.752 4.132 1.00 0.00 C HETATM 314 O1' GPN B 3 -10.932 -8.430 4.976 1.00 0.00 O HETATM 315 N4' GPN B 3 -12.849 -7.618 1.944 1.00 0.00 N HETATM 316 C3' GPN B 3 -14.250 -7.567 2.382 1.00 0.00 C HETATM 317 C2' GPN B 3 -14.975 -8.896 2.149 1.00 0.00 C HETATM 318 N1' GPN B 3 -15.011 -9.293 0.729 1.00 0.00 N HETATM 319 N9 GPN B 3 -12.584 -5.359 -1.051 1.00 0.00 N HETATM 320 C8 GPN B 3 -12.139 -5.704 -2.305 1.00 0.00 C HETATM 321 N7 GPN B 3 -11.468 -4.764 -2.913 1.00 0.00 N HETATM 322 C5 GPN B 3 -11.467 -3.709 -1.994 1.00 0.00 C HETATM 323 C6 GPN B 3 -10.876 -2.397 -2.055 1.00 0.00 C HETATM 324 O6 GPN B 3 -10.225 -1.877 -2.967 1.00 0.00 O HETATM 325 N1 GPN B 3 -11.076 -1.653 -0.903 1.00 0.00 N HETATM 326 C2 GPN B 3 -11.779 -2.091 0.187 1.00 0.00 C HETATM 327 N2 GPN B 3 -11.870 -1.314 1.245 1.00 0.00 N HETATM 328 N3 GPN B 3 -12.354 -3.294 0.270 1.00 0.00 N HETATM 329 C4 GPN B 3 -12.156 -4.064 -0.849 1.00 0.00 C HETATM 0 HN22 GPN B 3 -12.391 -1.627 2.064 1.00 0.00 H new HETATM 0 HN21 GPN B 3 -11.420 -0.399 1.246 1.00 0.00 H new HETATM 0 H8'2 GPN B 3 -14.016 -6.849 -0.613 1.00 0.00 H new HETATM 0 H8'1 GPN B 3 -13.936 -5.551 0.561 1.00 0.00 H new HETATM 0 H5'2 GPN B 3 -11.041 -8.648 2.243 1.00 0.00 H new HETATM 0 H5'1 GPN B 3 -12.429 -9.365 3.036 1.00 0.00 H new HETATM 0 H3'2 GPN B 3 -14.289 -7.314 3.442 1.00 0.00 H new HETATM 0 H3'1 GPN B 3 -14.769 -6.773 1.845 1.00 0.00 H new HETATM 0 H2'2 GPN B 3 -14.482 -9.678 2.727 1.00 0.00 H new HETATM 0 H2'1 GPN B 3 -15.995 -8.817 2.524 1.00 0.00 H new HETATM 0 H1'3 GPN B 3 -15.489 -10.189 0.638 1.00 0.00 H new HETATM 0 HN1 GPN B 3 -10.673 -0.717 -0.865 1.00 0.00 H new HETATM 0 H8 GPN B 3 -12.330 -6.679 -2.753 1.00 0.00 H new HETATM 343 C8' CPN B 4 -9.794 -3.853 2.815 1.00 0.00 C HETATM 344 C7' CPN B 4 -8.937 -4.562 3.887 1.00 0.00 C HETATM 345 O7' CPN B 4 -7.773 -4.863 3.615 1.00 0.00 O HETATM 346 C5' CPN B 4 -8.657 -5.554 6.131 1.00 0.00 C HETATM 347 C' CPN B 4 -8.162 -4.715 7.319 1.00 0.00 C HETATM 348 O1' CPN B 4 -7.830 -5.297 8.358 1.00 0.00 O HETATM 349 N4' CPN B 4 -9.456 -4.826 5.113 1.00 0.00 N HETATM 350 C3' CPN B 4 -10.828 -4.490 5.515 1.00 0.00 C HETATM 351 C2' CPN B 4 -11.724 -5.729 5.613 1.00 0.00 C HETATM 352 N1' CPN B 4 -11.864 -6.461 4.338 1.00 0.00 N HETATM 353 N1 CPN B 4 -9.031 -3.512 1.576 1.00 0.00 N HETATM 354 C2 CPN B 4 -8.384 -2.277 1.493 1.00 0.00 C HETATM 355 N3 CPN B 4 -7.732 -1.923 0.365 1.00 0.00 N HETATM 356 C4 CPN B 4 -7.687 -2.777 -0.641 1.00 0.00 C HETATM 357 C5 CPN B 4 -8.311 -4.057 -0.606 1.00 0.00 C HETATM 358 C6 CPN B 4 -8.980 -4.392 0.523 1.00 0.00 C HETATM 359 O2 CPN B 4 -8.386 -1.470 2.424 1.00 0.00 O HETATM 360 N4 CPN B 4 -7.025 -2.392 -1.703 1.00 0.00 N HETATM 0 HN42 CPN B 4 -6.955 -3.009 -2.512 1.00 0.00 H new HETATM 0 HN41 CPN B 4 -6.579 -1.475 -1.721 1.00 0.00 H new HETATM 0 H8'2 CPN B 4 -10.635 -4.494 2.550 1.00 0.00 H new HETATM 0 H8'1 CPN B 4 -10.211 -2.940 3.239 1.00 0.00 H new HETATM 0 H5'2 CPN B 4 -7.792 -5.996 5.638 1.00 0.00 H new HETATM 0 H5'1 CPN B 4 -9.259 -6.377 6.517 1.00 0.00 H new HETATM 0 H3'2 CPN B 4 -10.808 -3.982 6.479 1.00 0.00 H new HETATM 0 H3'1 CPN B 4 -11.255 -3.792 4.795 1.00 0.00 H new HETATM 0 H2'2 CPN B 4 -11.316 -6.403 6.366 1.00 0.00 H new HETATM 0 H2'1 CPN B 4 -12.712 -5.426 5.958 1.00 0.00 H new HETATM 0 H1'3 CPN B 4 -12.401 -7.314 4.492 1.00 0.00 H new HETATM 0 H6 CPN B 4 -9.477 -5.359 0.596 1.00 0.00 H new HETATM 0 H5 CPN B 4 -8.252 -4.740 -1.454 1.00 0.00 H new HETATM 374 C8' APN B 5 -5.896 -1.714 5.051 1.00 0.00 C HETATM 375 C7' APN B 5 -5.052 -2.113 6.281 1.00 0.00 C HETATM 376 O7' APN B 5 -3.963 -2.671 6.112 1.00 0.00 O HETATM 377 C5' APN B 5 -4.624 -2.011 8.703 1.00 0.00 C HETATM 378 C' APN B 5 -3.894 -0.721 9.118 1.00 0.00 C HETATM 379 O1' APN B 5 -4.318 0.387 8.769 1.00 0.00 O HETATM 380 N4' APN B 5 -5.507 -1.838 7.527 1.00 0.00 N HETATM 381 C3' APN B 5 -6.842 -1.305 7.820 1.00 0.00 C HETATM 382 C2' APN B 5 -7.790 -2.422 8.273 1.00 0.00 C HETATM 383 N1' APN B 5 -8.130 -3.373 7.194 1.00 0.00 N HETATM 384 N9 APN B 5 -5.156 -1.798 3.768 1.00 0.00 N HETATM 385 C8 APN B 5 -5.273 -2.737 2.775 1.00 0.00 C HETATM 386 N7 APN B 5 -4.598 -2.460 1.692 1.00 0.00 N HETATM 387 C5 APN B 5 -3.934 -1.271 2.023 1.00 0.00 C HETATM 388 C6 APN B 5 -3.011 -0.423 1.358 1.00 0.00 C HETATM 389 N6 APN B 5 -2.576 -0.594 0.125 1.00 0.00 N HETATM 390 N1 APN B 5 -2.466 0.622 1.991 1.00 0.00 N HETATM 391 C2 APN B 5 -2.839 0.840 3.248 1.00 0.00 C HETATM 392 N3 APN B 5 -3.717 0.165 3.983 1.00 0.00 N HETATM 393 C4 APN B 5 -4.236 -0.892 3.304 1.00 0.00 C HETATM 0 HN62 APN B 5 -1.910 0.066 -0.277 1.00 0.00 H new HETATM 0 HN61 APN B 5 -2.905 -1.386 -0.427 1.00 0.00 H new HETATM 0 H8'2 APN B 5 -6.772 -2.360 4.998 1.00 0.00 H new HETATM 0 H8'1 APN B 5 -6.259 -0.695 5.185 1.00 0.00 H new HETATM 0 H5'2 APN B 5 -3.886 -2.782 8.483 1.00 0.00 H new HETATM 0 H5'1 APN B 5 -5.218 -2.369 9.544 1.00 0.00 H new HETATM 0 H3'2 APN B 5 -6.772 -0.545 8.598 1.00 0.00 H new HETATM 0 H3'1 APN B 5 -7.246 -0.817 6.933 1.00 0.00 H new HETATM 0 H2'2 APN B 5 -7.330 -2.967 9.097 1.00 0.00 H new HETATM 0 H2'1 APN B 5 -8.707 -1.977 8.658 1.00 0.00 H new HETATM 0 H1'3 APN B 5 -8.760 -4.088 7.557 1.00 0.00 H new HETATM 0 H8 APN B 5 -5.878 -3.638 2.881 1.00 0.00 H new HETATM 0 H2 APN B 5 -2.361 1.686 3.742 1.00 0.00 H new HETATM 407 C8' TPN B 6 -1.045 0.132 6.915 1.00 0.00 C HETATM 408 C7' TPN B 6 0.067 -0.154 7.944 1.00 0.00 C HETATM 409 O7' TPN B 6 1.069 -0.785 7.589 1.00 0.00 O HETATM 410 C5' TPN B 6 1.052 0.087 10.183 1.00 0.00 C HETATM 411 C' TPN B 6 2.135 1.180 10.210 1.00 0.00 C HETATM 412 O1' TPN B 6 3.133 1.013 10.918 1.00 0.00 O HETATM 413 N4' TPN B 6 -0.046 0.308 9.212 1.00 0.00 N HETATM 414 C3' TPN B 6 -1.189 1.074 9.719 1.00 0.00 C HETATM 415 C2' TPN B 6 -2.107 0.221 10.607 1.00 0.00 C HETATM 416 N1' TPN B 6 -2.796 -0.867 9.882 1.00 0.00 N HETATM 417 N1 TPN B 6 -0.654 -0.270 5.535 1.00 0.00 N HETATM 418 C6 TPN B 6 -1.036 -1.497 5.033 1.00 0.00 C HETATM 419 C2 TPN B 6 0.073 0.641 4.759 1.00 0.00 C HETATM 420 O2 TPN B 6 0.377 1.769 5.137 1.00 0.00 O HETATM 421 N3 TPN B 6 0.425 0.227 3.495 1.00 0.00 N HETATM 422 C4 TPN B 6 0.119 -0.987 2.928 1.00 0.00 C HETATM 423 O4 TPN B 6 0.513 -1.227 1.786 1.00 0.00 O HETATM 424 C5 TPN B 6 -0.689 -1.865 3.772 1.00 0.00 C HETATM 425 C5M TPN B 6 -1.194 -3.169 3.204 1.00 0.00 C HETATM 0 HM53 TPN B 6 -0.848 -3.995 3.825 1.00 0.00 H new HETATM 0 HM52 TPN B 6 -2.284 -3.160 3.187 1.00 0.00 H new HETATM 0 HM51 TPN B 6 -0.816 -3.295 2.189 1.00 0.00 H new HETATM 0 H8'2 TPN B 6 -1.950 -0.402 7.204 1.00 0.00 H new HETATM 0 H8'1 TPN B 6 -1.284 1.195 6.927 1.00 0.00 H new HETATM 0 H5'2 TPN B 6 1.528 -0.867 9.958 1.00 0.00 H new HETATM 0 H5'1 TPN B 6 0.621 0.001 11.180 1.00 0.00 H new HETATM 0 H3'2 TPN B 6 -0.827 1.930 10.289 1.00 0.00 H new HETATM 0 H3'1 TPN B 6 -1.762 1.469 8.880 1.00 0.00 H new HETATM 0 H2'2 TPN B 6 -1.516 -0.211 11.415 1.00 0.00 H new HETATM 0 H2'1 TPN B 6 -2.854 0.867 11.068 1.00 0.00 H new HETATM 0 H1'2 TPN B 6 -3.385 -1.389 10.531 1.00 0.00 H new HETATM 0 HN3 TPN B 6 0.963 0.881 2.926 1.00 0.00 H new HETATM 0 H6 TPN B 6 -1.621 -2.177 5.653 1.00 0.00 H new HETATM 440 C8' GPN B 7 3.327 1.602 6.204 1.00 0.00 C HETATM 441 C7' GPN B 7 4.529 1.784 7.157 1.00 0.00 C HETATM 442 O7' GPN B 7 5.433 0.938 7.155 1.00 0.00 O HETATM 443 C5' GPN B 7 5.837 3.171 8.712 1.00 0.00 C HETATM 444 C' GPN B 7 6.691 4.257 8.037 1.00 0.00 C HETATM 445 O1' GPN B 7 6.203 5.039 7.212 1.00 0.00 O HETATM 446 N4' GPN B 7 4.587 2.856 7.984 1.00 0.00 N HETATM 447 C3' GPN B 7 3.487 3.801 8.200 1.00 0.00 C HETATM 448 C2' GPN B 7 2.762 3.519 9.520 1.00 0.00 C HETATM 449 N1' GPN B 7 1.940 2.295 9.476 1.00 0.00 N HETATM 450 N9 GPN B 7 3.677 0.771 5.027 1.00 0.00 N HETATM 451 C8 GPN B 7 3.323 -0.529 4.745 1.00 0.00 C HETATM 452 N7 GPN B 7 3.856 -0.997 3.648 1.00 0.00 N HETATM 453 C5 GPN B 7 4.616 0.074 3.158 1.00 0.00 C HETATM 454 C6 GPN B 7 5.453 0.200 1.991 1.00 0.00 C HETATM 455 O6 GPN B 7 5.715 -0.639 1.124 1.00 0.00 O HETATM 456 N1 GPN B 7 6.025 1.458 1.860 1.00 0.00 N HETATM 457 C2 GPN B 7 5.837 2.488 2.742 1.00 0.00 C HETATM 458 N2 GPN B 7 6.435 3.642 2.522 1.00 0.00 N HETATM 459 N3 GPN B 7 5.079 2.401 3.837 1.00 0.00 N HETATM 460 C4 GPN B 7 4.492 1.169 3.991 1.00 0.00 C HETATM 0 HN22 GPN B 7 6.303 4.417 3.172 1.00 0.00 H new HETATM 0 HN21 GPN B 7 7.030 3.760 1.702 1.00 0.00 H new HETATM 0 H8'2 GPN B 7 2.502 1.137 6.744 1.00 0.00 H new HETATM 0 H8'1 GPN B 7 2.978 2.579 5.868 1.00 0.00 H new HETATM 0 H5'2 GPN B 7 6.431 2.262 8.806 1.00 0.00 H new HETATM 0 H5'1 GPN B 7 5.586 3.495 9.722 1.00 0.00 H new HETATM 0 H3'2 GPN B 7 3.876 4.819 8.206 1.00 0.00 H new HETATM 0 H3'1 GPN B 7 2.780 3.735 7.373 1.00 0.00 H new HETATM 0 H2'2 GPN B 7 3.497 3.428 10.320 1.00 0.00 H new HETATM 0 H2'1 GPN B 7 2.126 4.369 9.767 1.00 0.00 H new HETATM 0 H1'3 GPN B 7 1.483 2.159 10.378 1.00 0.00 H new HETATM 0 HN1 GPN B 7 6.625 1.626 1.053 1.00 0.00 H new HETATM 0 H8 GPN B 7 2.658 -1.115 5.380 1.00 0.00 H new HETATM 474 C8' CPN B 8 8.800 2.842 5.276 1.00 0.00 C HETATM 475 C7' CPN B 8 10.092 2.938 6.117 1.00 0.00 C HETATM 476 O7' CPN B 8 10.806 1.936 6.226 1.00 0.00 O HETATM 477 C5' CPN B 8 11.738 4.236 7.413 1.00 0.00 C HETATM 478 C' CPN B 8 12.909 4.783 6.580 1.00 0.00 C HETATM 479 O1' CPN B 8 14.034 4.807 7.090 1.00 0.00 O HETATM 480 N4' CPN B 8 10.444 4.109 6.699 1.00 0.00 N HETATM 481 C3' CPN B 8 9.588 5.299 6.746 1.00 0.00 C HETATM 482 C2' CPN B 8 8.901 5.433 8.109 1.00 0.00 C HETATM 483 N1' CPN B 8 7.981 4.318 8.412 1.00 0.00 N HETATM 484 N1 CPN B 8 8.777 1.630 4.410 1.00 0.00 N HETATM 485 C2 CPN B 8 9.511 1.641 3.224 1.00 0.00 C HETATM 486 N3 CPN B 8 9.549 0.547 2.435 1.00 0.00 N HETATM 487 C4 CPN B 8 8.889 -0.533 2.813 1.00 0.00 C HETATM 488 C5 CPN B 8 8.133 -0.606 4.018 1.00 0.00 C HETATM 489 C6 CPN B 8 8.098 0.501 4.799 1.00 0.00 C HETATM 490 O2 CPN B 8 10.138 2.633 2.852 1.00 0.00 O HETATM 491 N4 CPN B 8 8.983 -1.565 2.013 1.00 0.00 N HETATM 0 HN42 CPN B 8 8.499 -2.433 2.242 1.00 0.00 H new HETATM 0 HN41 CPN B 8 9.540 -1.501 1.161 1.00 0.00 H new HETATM 0 H8'2 CPN B 8 7.937 2.827 5.941 1.00 0.00 H new HETATM 0 H8'1 CPN B 8 8.707 3.732 4.654 1.00 0.00 H new HETATM 0 H5'2 CPN B 8 12.017 3.255 7.798 1.00 0.00 H new HETATM 0 H5'1 CPN B 8 11.594 4.888 8.275 1.00 0.00 H new HETATM 0 H3'2 CPN B 8 10.186 6.189 6.548 1.00 0.00 H new HETATM 0 H3'1 CPN B 8 8.835 5.240 5.960 1.00 0.00 H new HETATM 0 H2'2 CPN B 8 9.662 5.489 8.888 1.00 0.00 H new HETATM 0 H2'1 CPN B 8 8.346 6.371 8.138 1.00 0.00 H new HETATM 0 H1'2 CPN B 8 7.558 4.465 9.328 1.00 0.00 H new HETATM 0 H6 CPN B 8 7.534 0.496 5.732 1.00 0.00 H new HETATM 0 H5 CPN B 8 7.604 -1.516 4.301 1.00 0.00 H new HETATM 505 C8' CPN B 9 13.332 2.253 3.883 1.00 0.00 C HETATM 506 C7' CPN B 9 14.750 2.741 4.247 1.00 0.00 C HETATM 507 O7' CPN B 9 15.530 1.924 4.753 1.00 0.00 O HETATM 508 C5' CPN B 9 16.482 4.475 4.407 1.00 0.00 C HETATM 509 C' CPN B 9 17.600 4.105 3.422 1.00 0.00 C HETATM 510 O1' CPN B 9 18.756 4.463 3.665 1.00 0.00 O HETATM 511 N4' CPN B 9 15.130 4.021 4.019 1.00 0.00 N HETATM 512 C3' CPN B 9 14.304 5.063 3.406 1.00 0.00 C HETATM 513 C2' CPN B 9 13.640 5.944 4.472 1.00 0.00 C HETATM 514 N1' CPN B 9 12.671 5.225 5.328 1.00 0.00 N HETATM 515 N1 CPN B 9 13.329 0.931 3.200 1.00 0.00 N HETATM 516 C2 CPN B 9 14.016 0.790 1.991 1.00 0.00 C HETATM 517 N3 CPN B 9 14.036 -0.404 1.359 1.00 0.00 N HETATM 518 C4 CPN B 9 13.381 -1.418 1.896 1.00 0.00 C HETATM 519 C5 CPN B 9 12.646 -1.324 3.110 1.00 0.00 C HETATM 520 C6 CPN B 9 12.642 -0.127 3.743 1.00 0.00 C HETATM 521 O2 CPN B 9 14.594 1.736 1.449 1.00 0.00 O HETATM 522 N4 CPN B 9 13.453 -2.551 1.248 1.00 0.00 N HETATM 0 HN42 CPN B 9 12.971 -3.375 1.607 1.00 0.00 H new HETATM 0 HN41 CPN B 9 13.991 -2.611 0.384 1.00 0.00 H new HETATM 0 H8'2 CPN B 9 12.732 2.188 4.791 1.00 0.00 H new HETATM 0 H8'1 CPN B 9 12.855 2.990 3.237 1.00 0.00 H new HETATM 0 H5'2 CPN B 9 16.724 4.053 5.383 1.00 0.00 H new HETATM 0 H5'1 CPN B 9 16.465 5.559 4.523 1.00 0.00 H new HETATM 0 H3'2 CPN B 9 14.919 5.681 2.752 1.00 0.00 H new HETATM 0 H3'1 CPN B 9 13.538 4.603 2.782 1.00 0.00 H new HETATM 0 H2'2 CPN B 9 14.415 6.379 5.104 1.00 0.00 H new HETATM 0 H2'1 CPN B 9 13.130 6.771 3.979 1.00 0.00 H new HETATM 0 H1'3 CPN B 9 12.273 5.872 6.009 1.00 0.00 H new HETATM 0 H6 CPN B 9 12.096 -0.004 4.679 1.00 0.00 H new HETATM 0 H5 CPN B 9 12.108 -2.181 3.515 1.00 0.00 H new TER 536 CPN B 9 HETATM 537 N NME A 10 -19.412 2.023 1.620 1.00 0.00 N HETATM 538 C NME A 10 -20.533 1.157 1.252 1.00 0.00 C HETATM 543 N NME B 10 17.290 3.409 2.317 1.00 0.00 N HETATM 544 C NME B 10 18.250 2.999 1.290 1.00 0.00 C