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 2 GPN C' :...(NH2R) USER MOD NoAdj-H: A 3 GPNH1'1 : A 3 GPN N1' : A 2 GPN C' :...(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 9 CPN C2' :...(NH2R) USER MOD NoAdj-H: A 9 CPNH1'1 : A 9 CPN N1' : A 9 CPN C2' :...(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 2 GPN C' :...(NH2R) USER MOD NoAdj-H: B 3 GPNH1'1 : B 3 GPN N1' : B 2 GPN C' :...(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 TPNH1'2 : 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= -0.0256 (180deg=-0.0256) USER MOD Single : A 4 CPN N1' :NH3+ 180:sc= -0.0104 (180deg=-0.0104) 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+ 167:sc= -0.0264 (180deg=-0.253) 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 (180deg=0) USER MOD Single : B 4 CPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 APN N1' :NH3+ 163:sc= 0 (180deg=-0.359) USER MOD Single : B 6 TPN N1' :NH3+ 178:sc= 0 (180deg=-0.00399) USER MOD Single : B 7 GPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 CPN N1' :NH3+ 166:sc= -0.0911 (180deg=-0.236) USER MOD Single : B 9 CPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 23.254 8.281 -2.254 1.00 0.00 C HETATM 2 O ACE A 1 23.674 8.798 -1.217 1.00 0.00 O HETATM 3 CH3 ACE A 1 23.998 8.540 -3.554 1.00 0.00 C HETATM 0 H1 ACE A 1 24.348 7.594 -3.968 1.00 0.00 H new HETATM 0 H2 ACE A 1 23.329 9.022 -4.267 1.00 0.00 H new HETATM 0 H3 ACE A 1 24.852 9.190 -3.361 1.00 0.00 H new HETATM 7 C8' GPN A 2 20.572 3.733 -4.791 1.00 0.00 C HETATM 8 C7' GPN A 2 19.489 4.817 -4.968 1.00 0.00 C HETATM 9 O7' GPN A 2 18.723 4.722 -5.936 1.00 0.00 O HETATM 10 C5' GPN A 2 18.369 6.911 -4.324 1.00 0.00 C HETATM 11 C' GPN A 2 16.907 6.487 -4.105 1.00 0.00 C HETATM 12 O1' GPN A 2 16.013 7.273 -4.441 1.00 0.00 O HETATM 13 N4' GPN A 2 19.384 5.859 -4.106 1.00 0.00 N HETATM 14 C3' GPN A 2 20.254 6.084 -2.954 1.00 0.00 C HETATM 15 C2' GPN A 2 21.506 6.846 -3.403 1.00 0.00 C HETATM 16 N1' GPN A 2 22.158 7.503 -2.250 1.00 0.00 N HETATM 17 N9 GPN A 2 19.959 2.384 -4.749 1.00 0.00 N HETATM 18 C8 GPN A 2 20.133 1.346 -5.632 1.00 0.00 C HETATM 19 N7 GPN A 2 19.447 0.274 -5.337 1.00 0.00 N HETATM 20 C5 GPN A 2 18.763 0.625 -4.165 1.00 0.00 C HETATM 21 C6 GPN A 2 17.850 -0.121 -3.336 1.00 0.00 C HETATM 22 O6 GPN A 2 17.437 -1.279 -3.465 1.00 0.00 O HETATM 23 N1 GPN A 2 17.397 0.598 -2.240 1.00 0.00 N HETATM 24 C2 GPN A 2 17.768 1.886 -1.951 1.00 0.00 C HETATM 25 N2 GPN A 2 17.299 2.456 -0.862 1.00 0.00 N HETATM 26 N3 GPN A 2 18.600 2.611 -2.710 1.00 0.00 N HETATM 27 C4 GPN A 2 19.071 1.922 -3.801 1.00 0.00 C HETATM 0 HN22 GPN A 2 17.565 3.414 -0.632 1.00 0.00 H new HETATM 0 HN21 GPN A 2 16.669 1.940 -0.247 1.00 0.00 H new HETATM 0 H8'2 GPN A 2 21.287 3.788 -5.612 1.00 0.00 H new HETATM 0 H8'1 GPN A 2 21.128 3.914 -3.871 1.00 0.00 H new HETATM 0 H5'2 GPN A 2 18.471 7.282 -5.344 1.00 0.00 H new HETATM 0 H5'1 GPN A 2 18.589 7.745 -3.658 1.00 0.00 H new HETATM 0 H3'2 GPN A 2 19.724 6.652 -2.189 1.00 0.00 H new HETATM 0 H3'1 GPN A 2 20.536 5.131 -2.506 1.00 0.00 H new HETATM 0 H2'2 GPN A 2 22.205 6.159 -3.880 1.00 0.00 H new HETATM 0 H2'1 GPN A 2 21.235 7.593 -4.149 1.00 0.00 H new HETATM 0 H1'2 GPN A 2 22.988 8.004 -2.568 1.00 0.00 H new HETATM 0 HN1 GPN A 2 16.744 0.138 -1.606 1.00 0.00 H new HETATM 0 H8 GPN A 2 20.786 1.411 -6.502 1.00 0.00 H new HETATM 41 C8' GPN A 3 13.906 1.513 -2.897 1.00 0.00 C HETATM 42 C7' GPN A 3 13.085 2.299 -3.945 1.00 0.00 C HETATM 43 O7' GPN A 3 11.898 2.017 -4.140 1.00 0.00 O HETATM 44 C5' GPN A 3 12.930 4.014 -5.715 1.00 0.00 C HETATM 45 C' GPN A 3 12.195 5.286 -5.271 1.00 0.00 C HETATM 46 O1' GPN A 3 11.931 6.147 -6.119 1.00 0.00 O HETATM 47 N4' GPN A 3 13.668 3.302 -4.643 1.00 0.00 N HETATM 48 C3' GPN A 3 15.087 3.642 -4.538 1.00 0.00 C HETATM 49 C2' GPN A 3 15.305 4.679 -3.434 1.00 0.00 C HETATM 50 N1' GPN A 3 16.647 5.275 -3.573 1.00 0.00 N HETATM 51 N9 GPN A 3 13.136 0.409 -2.271 1.00 0.00 N HETATM 52 C8 GPN A 3 13.031 -0.890 -2.707 1.00 0.00 C HETATM 53 N7 GPN A 3 12.291 -1.653 -1.947 1.00 0.00 N HETATM 54 C5 GPN A 3 11.870 -0.794 -0.925 1.00 0.00 C HETATM 55 C6 GPN A 3 11.033 -1.027 0.226 1.00 0.00 C HETATM 56 O6 GPN A 3 10.485 -2.070 0.596 1.00 0.00 O HETATM 57 N1 GPN A 3 10.839 0.107 0.999 1.00 0.00 N HETATM 58 C2 GPN A 3 11.374 1.334 0.718 1.00 0.00 C HETATM 59 N2 GPN A 3 11.094 2.348 1.512 1.00 0.00 N HETATM 60 N3 GPN A 3 12.168 1.581 -0.329 1.00 0.00 N HETATM 61 C4 GPN A 3 12.379 0.477 -1.120 1.00 0.00 C HETATM 0 HN22 GPN A 3 11.484 3.270 1.318 1.00 0.00 H new HETATM 0 HN21 GPN A 3 10.487 2.210 2.320 1.00 0.00 H new HETATM 0 H8'2 GPN A 3 14.797 1.104 -3.373 1.00 0.00 H new HETATM 0 H8'1 GPN A 3 14.246 2.198 -2.120 1.00 0.00 H new HETATM 0 H5'2 GPN A 3 12.204 3.328 -6.151 1.00 0.00 H new HETATM 0 H5'1 GPN A 3 13.634 4.278 -6.505 1.00 0.00 H new HETATM 0 H3'2 GPN A 3 15.668 2.745 -4.323 1.00 0.00 H new HETATM 0 H3'1 GPN A 3 15.445 4.034 -5.490 1.00 0.00 H new HETATM 0 H2'2 GPN A 3 14.543 5.456 -3.495 1.00 0.00 H new HETATM 0 H2'1 GPN A 3 15.204 4.210 -2.455 1.00 0.00 H new HETATM 0 H1'3 GPN A 3 16.791 5.966 -2.837 1.00 0.00 H new HETATM 0 HN1 GPN A 3 10.258 0.021 1.833 1.00 0.00 H new HETATM 0 H8 GPN A 3 13.523 -1.253 -3.610 1.00 0.00 H new HETATM 75 C8' CPN A 4 9.537 3.585 -1.707 1.00 0.00 C HETATM 76 C7' CPN A 4 8.705 4.489 -2.643 1.00 0.00 C HETATM 77 O7' CPN A 4 7.680 4.030 -3.155 1.00 0.00 O HETATM 78 C5' CPN A 4 8.291 6.636 -3.788 1.00 0.00 C HETATM 79 C' CPN A 4 7.467 7.746 -3.119 1.00 0.00 C HETATM 80 O1' CPN A 4 7.027 8.662 -3.821 1.00 0.00 O HETATM 81 N4' CPN A 4 9.082 5.772 -2.871 1.00 0.00 N HETATM 82 C3' CPN A 4 10.284 6.394 -2.290 1.00 0.00 C HETATM 83 C2' CPN A 4 11.367 6.660 -3.343 1.00 0.00 C HETATM 84 N1' CPN A 4 11.894 5.430 -3.965 1.00 0.00 N HETATM 85 N1 CPN A 4 8.903 2.254 -1.449 1.00 0.00 N HETATM 86 C2 CPN A 4 8.074 2.101 -0.339 1.00 0.00 C HETATM 87 N3 CPN A 4 7.541 0.897 -0.042 1.00 0.00 N HETATM 88 C4 CPN A 4 7.790 -0.125 -0.843 1.00 0.00 C HETATM 89 C5 CPN A 4 8.608 -0.022 -2.003 1.00 0.00 C HETATM 90 C6 CPN A 4 9.152 1.187 -2.276 1.00 0.00 C HETATM 91 O2 CPN A 4 7.799 3.042 0.409 1.00 0.00 O HETATM 92 N4 CPN A 4 7.232 -1.265 -0.525 1.00 0.00 N HETATM 0 HN42 CPN A 4 7.388 -2.089 -1.106 1.00 0.00 H new HETATM 0 HN41 CPN A 4 6.641 -1.330 0.304 1.00 0.00 H new HETATM 0 H8'2 CPN A 4 10.523 3.431 -2.145 1.00 0.00 H new HETATM 0 H8'1 CPN A 4 9.687 4.098 -0.757 1.00 0.00 H new HETATM 0 H5'2 CPN A 4 7.614 6.002 -4.360 1.00 0.00 H new HETATM 0 H5'1 CPN A 4 8.974 7.097 -4.501 1.00 0.00 H new HETATM 0 H3'2 CPN A 4 10.009 7.333 -1.810 1.00 0.00 H new HETATM 0 H3'1 CPN A 4 10.687 5.745 -1.513 1.00 0.00 H new HETATM 0 H2'2 CPN A 4 10.957 7.305 -4.120 1.00 0.00 H new HETATM 0 H2'1 CPN A 4 12.189 7.204 -2.878 1.00 0.00 H new HETATM 0 H1'3 CPN A 4 12.607 5.675 -4.652 1.00 0.00 H new HETATM 0 H6 CPN A 4 9.788 1.313 -3.152 1.00 0.00 H new HETATM 0 H5 CPN A 4 8.789 -0.883 -2.646 1.00 0.00 H new HETATM 106 C8' APN A 5 5.028 5.351 -0.444 1.00 0.00 C HETATM 107 C7' APN A 5 4.170 6.414 -1.161 1.00 0.00 C HETATM 108 O7' APN A 5 3.283 6.052 -1.942 1.00 0.00 O HETATM 109 C5' APN A 5 3.470 8.757 -1.451 1.00 0.00 C HETATM 110 C' APN A 5 2.396 9.193 -0.441 1.00 0.00 C HETATM 111 O1' APN A 5 2.553 9.012 0.773 1.00 0.00 O HETATM 112 N4' APN A 5 4.393 7.729 -0.922 1.00 0.00 N HETATM 113 C3' APN A 5 5.494 8.241 -0.097 1.00 0.00 C HETATM 114 C2' APN A 5 6.646 8.752 -0.968 1.00 0.00 C HETATM 115 N1' APN A 5 7.278 7.695 -1.784 1.00 0.00 N HETATM 116 N9 APN A 5 4.498 3.974 -0.568 1.00 0.00 N HETATM 117 C8 APN A 5 4.956 2.953 -1.361 1.00 0.00 C HETATM 118 N7 APN A 5 4.386 1.799 -1.131 1.00 0.00 N HETATM 119 C5 APN A 5 3.431 2.103 -0.150 1.00 0.00 C HETATM 120 C6 APN A 5 2.441 1.363 0.548 1.00 0.00 C HETATM 121 N6 APN A 5 2.227 0.067 0.417 1.00 0.00 N HETATM 122 N1 APN A 5 1.597 1.975 1.386 1.00 0.00 N HETATM 123 C2 APN A 5 1.737 3.286 1.555 1.00 0.00 C HETATM 124 N3 APN A 5 2.639 4.099 1.012 1.00 0.00 N HETATM 125 C4 APN A 5 3.465 3.437 0.160 1.00 0.00 C HETATM 0 HN62 APN A 5 1.492 -0.386 0.960 1.00 0.00 H new HETATM 0 HN61 APN A 5 2.797 -0.482 -0.227 1.00 0.00 H new HETATM 0 H8'2 APN A 5 6.039 5.379 -0.850 1.00 0.00 H new HETATM 0 H8'1 APN A 5 5.101 5.609 0.613 1.00 0.00 H new HETATM 0 H5'2 APN A 5 2.981 8.370 -2.345 1.00 0.00 H new HETATM 0 H5'1 APN A 5 4.047 9.630 -1.756 1.00 0.00 H new HETATM 0 H3'2 APN A 5 5.130 9.047 0.540 1.00 0.00 H new HETATM 0 H3'1 APN A 5 5.855 7.452 0.563 1.00 0.00 H new HETATM 0 H2'2 APN A 5 6.273 9.536 -1.627 1.00 0.00 H new HETATM 0 H2'1 APN A 5 7.402 9.207 -0.328 1.00 0.00 H new HETATM 0 H1'3 APN A 5 8.033 8.098 -2.338 1.00 0.00 H new HETATM 0 H8 APN A 5 5.728 3.092 -2.118 1.00 0.00 H new HETATM 0 H2 APN A 5 1.019 3.756 2.226 1.00 0.00 H new HETATM 139 C8' TPN A 6 -0.323 6.702 0.085 1.00 0.00 C HETATM 140 C7' TPN A 6 -1.430 7.520 -0.616 1.00 0.00 C HETATM 141 O7' TPN A 6 -2.213 6.942 -1.379 1.00 0.00 O HETATM 142 C5' TPN A 6 -2.624 9.625 -1.045 1.00 0.00 C HETATM 143 C' TPN A 6 -3.964 9.678 -0.296 1.00 0.00 C HETATM 144 O1' TPN A 6 -4.940 10.193 -0.853 1.00 0.00 O HETATM 145 N4' TPN A 6 -1.554 8.848 -0.376 1.00 0.00 N HETATM 146 C3' TPN A 6 -0.715 9.604 0.561 1.00 0.00 C HETATM 147 C2' TPN A 6 0.287 10.516 -0.158 1.00 0.00 C HETATM 148 N1' TPN A 6 1.298 9.785 -0.947 1.00 0.00 N HETATM 149 N1 TPN A 6 -0.426 5.244 -0.206 1.00 0.00 N HETATM 150 C6 TPN A 6 0.286 4.692 -1.253 1.00 0.00 C HETATM 151 C2 TPN A 6 -1.253 4.458 0.607 1.00 0.00 C HETATM 152 O2 TPN A 6 -1.859 4.890 1.585 1.00 0.00 O HETATM 153 N3 TPN A 6 -1.352 3.125 0.279 1.00 0.00 N HETATM 154 C4 TPN A 6 -0.719 2.504 -0.772 1.00 0.00 C HETATM 155 O4 TPN A 6 -0.924 1.305 -0.964 1.00 0.00 O HETATM 156 C5 TPN A 6 0.169 3.369 -1.547 1.00 0.00 C HETATM 157 C5M TPN A 6 0.999 2.767 -2.655 1.00 0.00 C HETATM 0 HM53 TPN A 6 0.768 3.267 -3.595 1.00 0.00 H new HETATM 0 HM52 TPN A 6 2.057 2.894 -2.427 1.00 0.00 H new HETATM 0 HM51 TPN A 6 0.772 1.705 -2.744 1.00 0.00 H new HETATM 0 H8'2 TPN A 6 0.653 7.066 -0.236 1.00 0.00 H new HETATM 0 H8'1 TPN A 6 -0.384 6.860 1.162 1.00 0.00 H new HETATM 0 H5'2 TPN A 6 -2.796 9.199 -2.033 1.00 0.00 H new HETATM 0 H5'1 TPN A 6 -2.270 10.645 -1.195 1.00 0.00 H new HETATM 0 H3'2 TPN A 6 -1.351 10.207 1.209 1.00 0.00 H new HETATM 0 H3'1 TPN A 6 -0.174 8.909 1.203 1.00 0.00 H new HETATM 0 H2'2 TPN A 6 -0.258 11.190 -0.819 1.00 0.00 H new HETATM 0 H2'1 TPN A 6 0.795 11.136 0.581 1.00 0.00 H new HETATM 0 H1'2 TPN A 6 1.927 10.451 -1.395 1.00 0.00 H new HETATM 0 HN3 TPN A 6 -1.949 2.545 0.869 1.00 0.00 H new HETATM 0 H6 TPN A 6 0.947 5.322 -1.849 1.00 0.00 H new HETATM 172 C8' GPN A 7 -4.863 5.604 0.589 1.00 0.00 C HETATM 173 C7' GPN A 7 -6.046 6.463 0.085 1.00 0.00 C HETATM 174 O7' GPN A 7 -6.549 6.197 -1.014 1.00 0.00 O HETATM 175 C5' GPN A 7 -7.716 8.259 0.380 1.00 0.00 C HETATM 176 C' GPN A 7 -9.021 8.014 1.153 1.00 0.00 C HETATM 177 O1' GPN A 7 -10.011 8.699 0.876 1.00 0.00 O HETATM 178 N4' GPN A 7 -6.530 7.486 0.836 1.00 0.00 N HETATM 179 C3' GPN A 7 -5.908 7.963 2.079 1.00 0.00 C HETATM 180 C2' GPN A 7 -5.161 9.287 1.882 1.00 0.00 C HETATM 181 N1' GPN A 7 -4.020 9.172 0.953 1.00 0.00 N HETATM 182 N9 GPN A 7 -4.835 4.271 -0.064 1.00 0.00 N HETATM 183 C8 GPN A 7 -4.169 3.880 -1.203 1.00 0.00 C HETATM 184 N7 GPN A 7 -4.442 2.660 -1.586 1.00 0.00 N HETATM 185 C5 GPN A 7 -5.342 2.194 -0.617 1.00 0.00 C HETATM 186 C6 GPN A 7 -6.029 0.932 -0.469 1.00 0.00 C HETATM 187 O6 GPN A 7 -6.012 -0.064 -1.201 1.00 0.00 O HETATM 188 N1 GPN A 7 -6.806 0.864 0.678 1.00 0.00 N HETATM 189 C2 GPN A 7 -6.944 1.885 1.578 1.00 0.00 C HETATM 190 N2 GPN A 7 -7.706 1.713 2.639 1.00 0.00 N HETATM 191 N3 GPN A 7 -6.361 3.079 1.449 1.00 0.00 N HETATM 192 C4 GPN A 7 -5.562 3.171 0.337 1.00 0.00 C HETATM 0 HN22 GPN A 7 -7.815 2.468 3.316 1.00 0.00 H new HETATM 0 HN21 GPN A 7 -8.186 0.825 2.783 1.00 0.00 H new HETATM 0 H8'2 GPN A 7 -3.926 6.125 0.393 1.00 0.00 H new HETATM 0 H8'1 GPN A 7 -4.938 5.479 1.669 1.00 0.00 H new HETATM 0 H5'2 GPN A 7 -7.892 8.029 -0.671 1.00 0.00 H new HETATM 0 H5'1 GPN A 7 -7.477 9.321 0.439 1.00 0.00 H new HETATM 0 H3'2 GPN A 7 -6.676 8.091 2.842 1.00 0.00 H new HETATM 0 H3'1 GPN A 7 -5.214 7.208 2.449 1.00 0.00 H new HETATM 0 H2'2 GPN A 7 -5.856 10.037 1.504 1.00 0.00 H new HETATM 0 H2'1 GPN A 7 -4.802 9.643 2.848 1.00 0.00 H new HETATM 0 H1'3 GPN A 7 -3.563 10.079 0.861 1.00 0.00 H new HETATM 0 HN1 GPN A 7 -7.308 -0.005 0.863 1.00 0.00 H new HETATM 0 H8 GPN A 7 -3.476 4.529 -1.738 1.00 0.00 H new HETATM 206 C8' CPN A 8 -9.720 3.906 0.662 1.00 0.00 C HETATM 207 C7' CPN A 8 -11.014 4.733 0.511 1.00 0.00 C HETATM 208 O7' CPN A 8 -11.603 4.728 -0.575 1.00 0.00 O HETATM 209 C5' CPN A 8 -12.752 6.220 1.426 1.00 0.00 C HETATM 210 C' CPN A 8 -14.043 5.514 1.869 1.00 0.00 C HETATM 211 O1' CPN A 8 -15.125 6.078 1.671 1.00 0.00 O HETATM 212 N4' CPN A 8 -11.503 5.431 1.565 1.00 0.00 N HETATM 213 C3' CPN A 8 -10.854 5.513 2.880 1.00 0.00 C HETATM 214 C2' CPN A 8 -10.133 6.849 3.083 1.00 0.00 C HETATM 215 N1' CPN A 8 -9.035 7.077 2.124 1.00 0.00 N HETATM 216 N1 CPN A 8 -9.473 2.973 -0.476 1.00 0.00 N HETATM 217 C2 CPN A 8 -10.095 1.724 -0.468 1.00 0.00 C HETATM 218 N3 CPN A 8 -9.864 0.840 -1.462 1.00 0.00 N HETATM 219 C4 CPN A 8 -9.047 1.181 -2.441 1.00 0.00 C HETATM 220 C5 CPN A 8 -8.390 2.444 -2.506 1.00 0.00 C HETATM 221 C6 CPN A 8 -8.628 3.321 -1.501 1.00 0.00 C HETATM 222 O2 CPN A 8 -10.858 1.379 0.436 1.00 0.00 O HETATM 223 N4 CPN A 8 -8.871 0.286 -3.380 1.00 0.00 N HETATM 0 HN42 CPN A 8 -8.252 0.486 -4.166 1.00 0.00 H new HETATM 0 HN41 CPN A 8 -9.353 -0.611 -3.326 1.00 0.00 H new HETATM 0 H8'2 CPN A 8 -8.873 4.586 0.755 1.00 0.00 H new HETATM 0 H8'1 CPN A 8 -9.771 3.332 1.587 1.00 0.00 H new HETATM 0 H5'2 CPN A 8 -12.860 6.512 0.381 1.00 0.00 H new HETATM 0 H5'1 CPN A 8 -12.646 7.138 2.004 1.00 0.00 H new HETATM 0 H3'2 CPN A 8 -11.602 5.383 3.662 1.00 0.00 H new HETATM 0 H3'1 CPN A 8 -10.139 4.696 2.983 1.00 0.00 H new HETATM 0 H2'2 CPN A 8 -10.856 7.660 2.995 1.00 0.00 H new HETATM 0 H2'1 CPN A 8 -9.733 6.887 4.096 1.00 0.00 H new HETATM 0 H1'3 CPN A 8 -8.743 8.053 2.167 1.00 0.00 H new HETATM 0 H6 CPN A 8 -8.150 4.301 -1.506 1.00 0.00 H new HETATM 0 H5 CPN A 8 -7.723 2.694 -3.331 1.00 0.00 H new HETATM 237 C8' CPN A 9 -14.020 2.041 -0.287 1.00 0.00 C HETATM 238 C7' CPN A 9 -15.458 2.599 -0.192 1.00 0.00 C HETATM 239 O7' CPN A 9 -16.028 2.947 -1.234 1.00 0.00 O HETATM 240 C5' CPN A 9 -17.486 3.135 1.080 1.00 0.00 C HETATM 241 C' CPN A 9 -18.481 2.023 0.718 1.00 0.00 C HETATM 242 O1' CPN A 9 -18.123 0.846 0.607 1.00 0.00 O HETATM 243 N4' CPN A 9 -16.074 2.705 1.011 1.00 0.00 N HETATM 244 C3' CPN A 9 -15.492 2.335 2.303 1.00 0.00 C HETATM 245 C2' CPN A 9 -15.067 3.573 3.099 1.00 0.00 C HETATM 246 N1' CPN A 9 -13.951 4.311 2.473 1.00 0.00 N HETATM 247 N1 CPN A 9 -13.700 1.459 -1.622 1.00 0.00 N HETATM 248 C2 CPN A 9 -14.230 0.207 -1.942 1.00 0.00 C HETATM 249 N3 CPN A 9 -13.897 -0.401 -3.102 1.00 0.00 N HETATM 250 C4 CPN A 9 -13.082 0.221 -3.931 1.00 0.00 C HETATM 251 C5 CPN A 9 -12.545 1.517 -3.680 1.00 0.00 C HETATM 252 C6 CPN A 9 -12.879 2.112 -2.509 1.00 0.00 C HETATM 253 O2 CPN A 9 -14.987 -0.395 -1.181 1.00 0.00 O HETATM 254 N4 CPN A 9 -12.800 -0.429 -5.032 1.00 0.00 N HETATM 0 HN42 CPN A 9 -12.176 -0.014 -5.724 1.00 0.00 H new HETATM 0 HN41 CPN A 9 -13.204 -1.351 -5.198 1.00 0.00 H new HETATM 0 H8'2 CPN A 9 -13.312 2.841 -0.068 1.00 0.00 H new HETATM 0 H8'1 CPN A 9 -13.883 1.276 0.477 1.00 0.00 H new HETATM 0 H5'2 CPN A 9 -17.634 3.979 0.406 1.00 0.00 H new HETATM 0 H5'1 CPN A 9 -17.701 3.491 2.088 1.00 0.00 H new HETATM 0 H3'2 CPN A 9 -16.217 1.761 2.880 1.00 0.00 H new HETATM 0 H3'1 CPN A 9 -14.629 1.689 2.143 1.00 0.00 H new HETATM 0 H2'2 CPN A 9 -15.922 4.241 3.204 1.00 0.00 H new HETATM 0 H2'1 CPN A 9 -14.775 3.268 4.104 1.00 0.00 H new HETATM 0 H1'3 CPN A 9 -13.714 5.121 3.046 1.00 0.00 H new HETATM 0 H6 CPN A 9 -12.498 3.105 -2.272 1.00 0.00 H new HETATM 0 H5 CPN A 9 -11.892 2.010 -4.401 1.00 0.00 H new TER 268 CPN A 9 HETATM 269 C ACE B 1 -18.670 -11.261 -3.972 1.00 0.00 C HETATM 270 O ACE B 1 -18.315 -11.299 -5.151 1.00 0.00 O HETATM 271 CH3 ACE B 1 -20.148 -11.085 -3.653 1.00 0.00 C HETATM 0 H1 ACE B 1 -20.501 -11.941 -3.078 1.00 0.00 H new HETATM 0 H2 ACE B 1 -20.289 -10.174 -3.071 1.00 0.00 H new HETATM 0 H3 ACE B 1 -20.715 -11.013 -4.581 1.00 0.00 H new HETATM 275 C8' GPN B 2 -16.762 -7.971 -2.824 1.00 0.00 C HETATM 276 C7' GPN B 2 -15.821 -8.761 -1.884 1.00 0.00 C HETATM 277 O7' GPN B 2 -14.599 -8.587 -1.955 1.00 0.00 O HETATM 278 C5' GPN B 2 -15.447 -10.334 -0.025 1.00 0.00 C HETATM 279 C' GPN B 2 -15.216 -9.607 1.310 1.00 0.00 C HETATM 280 O1' GPN B 2 -14.345 -10.032 2.078 1.00 0.00 O HETATM 281 N4' GPN B 2 -16.338 -9.634 -0.982 1.00 0.00 N HETATM 282 C3' GPN B 2 -17.761 -9.974 -0.886 1.00 0.00 C HETATM 283 C2' GPN B 2 -18.047 -11.344 -1.514 1.00 0.00 C HETATM 284 N1' GPN B 2 -17.783 -11.369 -2.968 1.00 0.00 N HETATM 285 N9 GPN B 2 -16.031 -6.997 -3.677 1.00 0.00 N HETATM 286 C8 GPN B 2 -15.395 -7.237 -4.872 1.00 0.00 C HETATM 287 N7 GPN B 2 -14.767 -6.202 -5.363 1.00 0.00 N HETATM 288 C5 GPN B 2 -15.002 -5.189 -4.422 1.00 0.00 C HETATM 289 C6 GPN B 2 -14.567 -3.813 -4.375 1.00 0.00 C HETATM 290 O6 GPN B 2 -13.878 -3.180 -5.182 1.00 0.00 O HETATM 291 N1 GPN B 2 -15.008 -3.139 -3.248 1.00 0.00 N HETATM 292 C2 GPN B 2 -15.801 -3.692 -2.276 1.00 0.00 C HETATM 293 N2 GPN B 2 -16.145 -2.949 -1.244 1.00 0.00 N HETATM 294 N3 GPN B 2 -16.250 -4.958 -2.306 1.00 0.00 N HETATM 295 C4 GPN B 2 -15.800 -5.663 -3.395 1.00 0.00 C HETATM 0 HN22 GPN B 2 -16.734 -3.339 -0.509 1.00 0.00 H new HETATM 0 HN21 GPN B 2 -15.822 -1.984 -1.180 1.00 0.00 H new HETATM 0 H8'2 GPN B 2 -17.305 -8.670 -3.460 1.00 0.00 H new HETATM 0 H8'1 GPN B 2 -17.504 -7.441 -2.227 1.00 0.00 H new HETATM 0 H5'2 GPN B 2 -14.481 -10.495 -0.504 1.00 0.00 H new HETATM 0 H5'1 GPN B 2 -15.867 -11.318 0.184 1.00 0.00 H new HETATM 0 H3'2 GPN B 2 -18.067 -9.980 0.160 1.00 0.00 H new HETATM 0 H3'1 GPN B 2 -18.355 -9.210 -1.387 1.00 0.00 H new HETATM 0 H2'2 GPN B 2 -17.433 -12.100 -1.024 1.00 0.00 H new HETATM 0 H2'1 GPN B 2 -19.088 -11.613 -1.333 1.00 0.00 H new HETATM 0 H1'2 GPN B 2 -17.988 -12.298 -3.335 1.00 0.00 H new HETATM 0 HN1 GPN B 2 -14.724 -2.166 -3.134 1.00 0.00 H new HETATM 0 H8 GPN B 2 -15.413 -8.208 -5.367 1.00 0.00 H new HETATM 309 C8' GPN B 3 -14.073 -5.807 0.264 1.00 0.00 C HETATM 310 C7' GPN B 3 -13.317 -6.282 1.523 1.00 0.00 C HETATM 311 O7' GPN B 3 -12.099 -6.496 1.452 1.00 0.00 O HETATM 312 C5' GPN B 3 -13.241 -6.685 3.945 1.00 0.00 C HETATM 313 C' GPN B 3 -13.052 -5.418 4.796 1.00 0.00 C HETATM 314 O1' GPN B 3 -13.815 -4.450 4.687 1.00 0.00 O HETATM 315 N4' GPN B 3 -13.985 -6.458 2.688 1.00 0.00 N HETATM 316 C3' GPN B 3 -15.444 -6.418 2.823 1.00 0.00 C HETATM 317 C2' GPN B 3 -16.035 -7.831 2.895 1.00 0.00 C HETATM 318 N1' GPN B 3 -15.988 -8.542 1.603 1.00 0.00 N HETATM 319 N9 GPN B 3 -13.162 -5.194 -0.733 1.00 0.00 N HETATM 320 C8 GPN B 3 -12.650 -5.747 -1.882 1.00 0.00 C HETATM 321 N7 GPN B 3 -11.867 -4.948 -2.557 1.00 0.00 N HETATM 322 C5 GPN B 3 -11.855 -3.771 -1.796 1.00 0.00 C HETATM 323 C6 GPN B 3 -11.182 -2.512 -1.995 1.00 0.00 C HETATM 324 O6 GPN B 3 -10.446 -2.157 -2.921 1.00 0.00 O HETATM 325 N1 GPN B 3 -11.413 -1.602 -0.974 1.00 0.00 N HETATM 326 C2 GPN B 3 -12.196 -1.851 0.120 1.00 0.00 C HETATM 327 N2 GPN B 3 -12.292 -0.939 1.065 1.00 0.00 N HETATM 328 N3 GPN B 3 -12.861 -2.994 0.319 1.00 0.00 N HETATM 329 C4 GPN B 3 -12.644 -3.920 -0.670 1.00 0.00 C HETATM 0 HN22 GPN B 3 -12.873 -1.114 1.885 1.00 0.00 H new HETATM 0 HN21 GPN B 3 -11.786 -0.058 0.977 1.00 0.00 H new HETATM 0 H8'2 GPN B 3 -14.590 -6.653 -0.189 1.00 0.00 H new HETATM 0 H8'1 GPN B 3 -14.836 -5.084 0.551 1.00 0.00 H new HETATM 0 H5'2 GPN B 3 -12.262 -7.099 3.706 1.00 0.00 H new HETATM 0 H5'1 GPN B 3 -13.768 -7.433 4.537 1.00 0.00 H new HETATM 0 H3'2 GPN B 3 -15.713 -5.863 3.721 1.00 0.00 H new HETATM 0 H3'1 GPN B 3 -15.875 -5.884 1.977 1.00 0.00 H new HETATM 0 H2'2 GPN B 3 -15.490 -8.409 3.642 1.00 0.00 H new HETATM 0 H2'1 GPN B 3 -17.070 -7.769 3.232 1.00 0.00 H new HETATM 0 H1'3 GPN B 3 -16.393 -9.472 1.711 1.00 0.00 H new HETATM 0 HN1 GPN B 3 -10.970 -0.686 -1.043 1.00 0.00 H new HETATM 0 H8 GPN B 3 -12.877 -6.764 -2.202 1.00 0.00 H new HETATM 343 C8' CPN B 4 -10.270 -3.044 3.645 1.00 0.00 C HETATM 344 C7' CPN B 4 -9.316 -3.573 4.739 1.00 0.00 C HETATM 345 O7' CPN B 4 -8.185 -3.945 4.417 1.00 0.00 O HETATM 346 C5' CPN B 4 -8.786 -4.049 7.106 1.00 0.00 C HETATM 347 C' CPN B 4 -8.279 -2.951 8.053 1.00 0.00 C HETATM 348 O1' CPN B 4 -7.719 -3.284 9.102 1.00 0.00 O HETATM 349 N4' CPN B 4 -9.712 -3.597 6.035 1.00 0.00 N HETATM 350 C3' CPN B 4 -11.071 -3.261 6.476 1.00 0.00 C HETATM 351 C2' CPN B 4 -11.878 -4.516 6.819 1.00 0.00 C HETATM 352 N1' CPN B 4 -12.042 -5.447 5.684 1.00 0.00 N HETATM 353 N1 CPN B 4 -9.617 -2.956 2.306 1.00 0.00 N HETATM 354 C2 CPN B 4 -8.955 -1.781 1.950 1.00 0.00 C HETATM 355 N3 CPN B 4 -8.318 -1.686 0.764 1.00 0.00 N HETATM 356 C4 CPN B 4 -8.305 -2.737 -0.037 1.00 0.00 C HETATM 357 C5 CPN B 4 -8.960 -3.964 0.276 1.00 0.00 C HETATM 358 C6 CPN B 4 -9.611 -4.039 1.463 1.00 0.00 C HETATM 359 O2 CPN B 4 -8.919 -0.800 2.694 1.00 0.00 O HETATM 360 N4 CPN B 4 -7.636 -2.598 -1.154 1.00 0.00 N HETATM 0 HN42 CPN B 4 -7.585 -3.371 -1.818 1.00 0.00 H new HETATM 0 HN41 CPN B 4 -7.165 -1.717 -1.360 1.00 0.00 H new HETATM 0 H8'2 CPN B 4 -11.139 -3.699 3.579 1.00 0.00 H new HETATM 0 H8'1 CPN B 4 -10.635 -2.058 3.932 1.00 0.00 H new HETATM 0 H5'2 CPN B 4 -7.925 -4.527 6.639 1.00 0.00 H new HETATM 0 H5'1 CPN B 4 -9.291 -4.811 7.700 1.00 0.00 H new HETATM 0 H3'2 CPN B 4 -11.021 -2.610 7.349 1.00 0.00 H new HETATM 0 H3'1 CPN B 4 -11.581 -2.703 5.691 1.00 0.00 H new HETATM 0 H2'2 CPN B 4 -11.387 -5.040 7.639 1.00 0.00 H new HETATM 0 H2'1 CPN B 4 -12.863 -4.217 7.177 1.00 0.00 H new HETATM 0 H1'2 CPN B 4 -12.587 -6.256 5.983 1.00 0.00 H new HETATM 0 H6 CPN B 4 -10.128 -4.956 1.747 1.00 0.00 H new HETATM 0 H5 CPN B 4 -8.938 -4.809 -0.412 1.00 0.00 H new HETATM 374 C8' APN B 5 -6.224 -0.465 5.323 1.00 0.00 C HETATM 375 C7' APN B 5 -5.443 -0.932 6.574 1.00 0.00 C HETATM 376 O7' APN B 5 -4.497 -1.712 6.435 1.00 0.00 O HETATM 377 C5' APN B 5 -5.091 -0.954 9.020 1.00 0.00 C HETATM 378 C' APN B 5 -4.126 0.041 9.687 1.00 0.00 C HETATM 379 O1' APN B 5 -3.433 -0.358 10.630 1.00 0.00 O HETATM 380 N4' APN B 5 -5.805 -0.484 7.804 1.00 0.00 N HETATM 381 C3' APN B 5 -6.996 0.343 8.048 1.00 0.00 C HETATM 382 C2' APN B 5 -8.175 -0.491 8.561 1.00 0.00 C HETATM 383 N1' APN B 5 -8.486 -1.662 7.713 1.00 0.00 N HETATM 384 N9 APN B 5 -5.552 -0.796 4.044 1.00 0.00 N HETATM 385 C8 APN B 5 -5.811 -1.826 3.174 1.00 0.00 C HETATM 386 N7 APN B 5 -5.126 -1.774 2.063 1.00 0.00 N HETATM 387 C5 APN B 5 -4.316 -0.644 2.233 1.00 0.00 C HETATM 388 C6 APN B 5 -3.321 0.006 1.457 1.00 0.00 C HETATM 389 N6 APN B 5 -2.927 -0.365 0.253 1.00 0.00 N HETATM 390 N1 APN B 5 -2.661 1.065 1.942 1.00 0.00 N HETATM 391 C2 APN B 5 -2.989 1.487 3.158 1.00 0.00 C HETATM 392 N3 APN B 5 -3.914 1.009 3.984 1.00 0.00 N HETATM 393 C4 APN B 5 -4.551 -0.067 3.454 1.00 0.00 C HETATM 0 HN62 APN B 5 -2.203 0.164 -0.232 1.00 0.00 H new HETATM 0 HN61 APN B 5 -3.347 -1.181 -0.192 1.00 0.00 H new HETATM 0 H8'2 APN B 5 -7.214 -0.921 5.332 1.00 0.00 H new HETATM 0 H8'1 APN B 5 -6.370 0.614 5.378 1.00 0.00 H new HETATM 0 H5'2 APN B 5 -4.528 -1.850 8.758 1.00 0.00 H new HETATM 0 H5'1 APN B 5 -5.836 -1.251 9.758 1.00 0.00 H new HETATM 0 H3'2 APN B 5 -6.757 1.119 8.775 1.00 0.00 H new HETATM 0 H3'1 APN B 5 -7.283 0.848 7.126 1.00 0.00 H new HETATM 0 H2'2 APN B 5 -7.954 -0.834 9.572 1.00 0.00 H new HETATM 0 H2'1 APN B 5 -9.058 0.145 8.626 1.00 0.00 H new HETATM 0 H1'3 APN B 5 -9.068 -2.316 8.236 1.00 0.00 H new HETATM 0 H8 APN B 5 -6.527 -2.619 3.392 1.00 0.00 H new HETATM 0 H2 APN B 5 -2.423 2.341 3.529 1.00 0.00 H new HETATM 407 C8' TPN B 6 -1.641 1.212 6.768 1.00 0.00 C HETATM 408 C7' TPN B 6 -0.789 1.111 8.049 1.00 0.00 C HETATM 409 O7' TPN B 6 0.144 0.301 8.092 1.00 0.00 O HETATM 410 C5' TPN B 6 -0.260 1.821 10.346 1.00 0.00 C HETATM 411 C' TPN B 6 0.988 2.717 10.409 1.00 0.00 C HETATM 412 O1' TPN B 6 1.614 2.778 11.473 1.00 0.00 O HETATM 413 N4' TPN B 6 -1.059 1.918 9.103 1.00 0.00 N HETATM 414 C3' TPN B 6 -2.129 2.922 9.134 1.00 0.00 C HETATM 415 C2' TPN B 6 -3.360 2.425 9.903 1.00 0.00 C HETATM 416 N1' TPN B 6 -4.074 1.312 9.241 1.00 0.00 N HETATM 417 N1 TPN B 6 -1.038 0.503 5.606 1.00 0.00 N HETATM 418 C6 TPN B 6 -1.478 -0.761 5.270 1.00 0.00 C HETATM 419 C2 TPN B 6 -0.186 1.225 4.760 1.00 0.00 C HETATM 420 O2 TPN B 6 0.179 2.375 4.987 1.00 0.00 O HETATM 421 N3 TPN B 6 0.199 0.604 3.596 1.00 0.00 N HETATM 422 C4 TPN B 6 -0.202 -0.644 3.177 1.00 0.00 C HETATM 423 O4 TPN B 6 0.201 -1.066 2.093 1.00 0.00 O HETATM 424 C5 TPN B 6 -1.114 -1.329 4.091 1.00 0.00 C HETATM 425 C5M TPN B 6 -1.735 -2.640 3.668 1.00 0.00 C HETATM 0 HM53 TPN B 6 -1.512 -3.405 4.412 1.00 0.00 H new HETATM 0 HM52 TPN B 6 -2.815 -2.520 3.583 1.00 0.00 H new HETATM 0 HM51 TPN B 6 -1.327 -2.942 2.703 1.00 0.00 H new HETATM 0 H8'2 TPN B 6 -2.631 0.799 6.964 1.00 0.00 H new HETATM 0 H8'1 TPN B 6 -1.779 2.263 6.513 1.00 0.00 H new HETATM 0 H5'2 TPN B 6 0.053 0.785 10.475 1.00 0.00 H new HETATM 0 H5'1 TPN B 6 -0.904 2.067 11.190 1.00 0.00 H new HETATM 0 H3'2 TPN B 6 -1.756 3.835 9.598 1.00 0.00 H new HETATM 0 H3'1 TPN B 6 -2.417 3.177 8.114 1.00 0.00 H new HETATM 0 H2'2 TPN B 6 -3.049 2.103 10.897 1.00 0.00 H new HETATM 0 H2'1 TPN B 6 -4.051 3.257 10.039 1.00 0.00 H new HETATM 0 H1'3 TPN B 6 -4.857 1.015 9.824 1.00 0.00 H new HETATM 0 HN3 TPN B 6 0.840 1.114 2.988 1.00 0.00 H new HETATM 0 H6 TPN B 6 -2.123 -1.309 5.957 1.00 0.00 H new HETATM 440 C8' GPN B 7 2.895 1.896 6.429 1.00 0.00 C HETATM 441 C7' GPN B 7 4.005 2.034 7.491 1.00 0.00 C HETATM 442 O7' GPN B 7 4.720 1.053 7.733 1.00 0.00 O HETATM 443 C5' GPN B 7 5.365 3.399 9.036 1.00 0.00 C HETATM 444 C' GPN B 7 6.526 4.215 8.444 1.00 0.00 C HETATM 445 O1' GPN B 7 7.393 4.648 9.210 1.00 0.00 O HETATM 446 N4' GPN B 7 4.200 3.213 8.136 1.00 0.00 N HETATM 447 C3' GPN B 7 3.304 4.374 8.051 1.00 0.00 C HETATM 448 C2' GPN B 7 2.389 4.470 9.279 1.00 0.00 C HETATM 449 N1' GPN B 7 1.340 3.429 9.317 1.00 0.00 N HETATM 450 N9 GPN B 7 3.259 0.916 5.379 1.00 0.00 N HETATM 451 C8 GPN B 7 2.861 -0.393 5.236 1.00 0.00 C HETATM 452 N7 GPN B 7 3.376 -0.994 4.197 1.00 0.00 N HETATM 453 C5 GPN B 7 4.179 -0.010 3.601 1.00 0.00 C HETATM 454 C6 GPN B 7 5.026 -0.038 2.435 1.00 0.00 C HETATM 455 O6 GPN B 7 5.257 -0.970 1.657 1.00 0.00 O HETATM 456 N1 GPN B 7 5.654 1.173 2.187 1.00 0.00 N HETATM 457 C2 GPN B 7 5.500 2.295 2.955 1.00 0.00 C HETATM 458 N2 GPN B 7 6.138 3.396 2.627 1.00 0.00 N HETATM 459 N3 GPN B 7 4.744 2.349 4.053 1.00 0.00 N HETATM 460 C4 GPN B 7 4.103 1.166 4.322 1.00 0.00 C HETATM 0 HN22 GPN B 7 6.029 4.237 3.194 1.00 0.00 H new HETATM 0 HN21 GPN B 7 6.742 3.410 1.805 1.00 0.00 H new HETATM 0 H8'2 GPN B 7 1.968 1.586 6.910 1.00 0.00 H new HETATM 0 H8'1 GPN B 7 2.707 2.867 5.971 1.00 0.00 H new HETATM 0 H5'2 GPN B 7 5.742 2.418 9.324 1.00 0.00 H new HETATM 0 H5'1 GPN B 7 5.025 3.890 9.948 1.00 0.00 H new HETATM 0 H3'2 GPN B 7 3.895 5.286 7.965 1.00 0.00 H new HETATM 0 H3'1 GPN B 7 2.697 4.301 7.149 1.00 0.00 H new HETATM 0 H2'2 GPN B 7 2.996 4.395 10.181 1.00 0.00 H new HETATM 0 H2'1 GPN B 7 1.916 5.452 9.294 1.00 0.00 H new HETATM 0 H1'3 GPN B 7 0.770 3.550 10.154 1.00 0.00 H new HETATM 0 HN1 GPN B 7 6.272 1.231 1.378 1.00 0.00 H new HETATM 0 H8 GPN B 7 2.177 -0.885 5.928 1.00 0.00 H new HETATM 474 C8' CPN B 8 7.668 1.761 5.896 1.00 0.00 C HETATM 475 C7' CPN B 8 8.965 2.311 6.522 1.00 0.00 C HETATM 476 O7' CPN B 8 9.683 1.533 7.157 1.00 0.00 O HETATM 477 C5' CPN B 8 10.467 4.175 7.104 1.00 0.00 C HETATM 478 C' CPN B 8 11.842 3.823 6.514 1.00 0.00 C HETATM 479 O1' CPN B 8 12.854 4.241 7.089 1.00 0.00 O HETATM 480 N4' CPN B 8 9.299 3.618 6.387 1.00 0.00 N HETATM 481 C3' CPN B 8 8.560 4.588 5.580 1.00 0.00 C HETATM 482 C2' CPN B 8 7.509 5.333 6.417 1.00 0.00 C HETATM 483 N1' CPN B 8 6.544 4.451 7.115 1.00 0.00 N HETATM 484 N1 CPN B 8 7.867 0.565 5.040 1.00 0.00 N HETATM 485 C2 CPN B 8 8.756 0.617 3.964 1.00 0.00 C HETATM 486 N3 CPN B 8 8.912 -0.459 3.161 1.00 0.00 N HETATM 487 C4 CPN B 8 8.190 -1.542 3.398 1.00 0.00 C HETATM 488 C5 CPN B 8 7.244 -1.633 4.459 1.00 0.00 C HETATM 489 C6 CPN B 8 7.104 -0.552 5.262 1.00 0.00 C HETATM 490 O2 CPN B 8 9.409 1.631 3.697 1.00 0.00 O HETATM 491 N4 CPN B 8 8.384 -2.559 2.597 1.00 0.00 N HETATM 0 HN42 CPN B 8 7.856 -3.421 2.731 1.00 0.00 H new HETATM 0 HN41 CPN B 8 9.063 -2.489 1.839 1.00 0.00 H new HETATM 0 H8'2 CPN B 8 6.970 1.511 6.695 1.00 0.00 H new HETATM 0 H8'1 CPN B 8 7.203 2.547 5.301 1.00 0.00 H new HETATM 0 H5'2 CPN B 8 10.436 3.828 8.137 1.00 0.00 H new HETATM 0 H5'1 CPN B 8 10.370 5.260 7.130 1.00 0.00 H new HETATM 0 H3'2 CPN B 8 9.255 5.306 5.145 1.00 0.00 H new HETATM 0 H3'1 CPN B 8 8.071 4.076 4.752 1.00 0.00 H new HETATM 0 H2'2 CPN B 8 8.021 5.948 7.157 1.00 0.00 H new HETATM 0 H2'1 CPN B 8 6.957 6.011 5.766 1.00 0.00 H new HETATM 0 H1'3 CPN B 8 6.038 4.989 7.819 1.00 0.00 H new HETATM 0 H6 CPN B 8 6.387 -0.570 6.083 1.00 0.00 H new HETATM 0 H5 CPN B 8 6.656 -2.537 4.618 1.00 0.00 H new HETATM 505 C8' CPN B 9 14.063 -0.169 2.725 1.00 0.00 C HETATM 506 C7' CPN B 9 15.193 0.204 3.713 1.00 0.00 C HETATM 507 O7' CPN B 9 16.358 -0.137 3.474 1.00 0.00 O HETATM 508 C5' CPN B 9 15.952 1.414 5.731 1.00 0.00 C HETATM 509 C' CPN B 9 16.534 0.409 6.737 1.00 0.00 C HETATM 510 O1' CPN B 9 17.200 0.827 7.688 1.00 0.00 O HETATM 511 N4' CPN B 9 14.892 0.894 4.838 1.00 0.00 N HETATM 512 C3' CPN B 9 13.533 1.220 5.264 1.00 0.00 C HETATM 513 C2' CPN B 9 13.148 2.609 4.749 1.00 0.00 C HETATM 514 N1' CPN B 9 11.904 3.068 5.398 1.00 0.00 N HETATM 515 N1 CPN B 9 14.520 -0.983 1.563 1.00 0.00 N HETATM 516 C2 CPN B 9 15.304 -0.371 0.581 1.00 0.00 C HETATM 517 N3 CPN B 9 15.753 -1.086 -0.477 1.00 0.00 N HETATM 518 C4 CPN B 9 15.421 -2.359 -0.569 1.00 0.00 C HETATM 519 C5 CPN B 9 14.620 -3.033 0.398 1.00 0.00 C HETATM 520 C6 CPN B 9 14.181 -2.311 1.456 1.00 0.00 C HETATM 521 O2 CPN B 9 15.628 0.816 0.638 1.00 0.00 O HETATM 522 N4 CPN B 9 15.897 -2.991 -1.612 1.00 0.00 N HETATM 0 HN42 CPN B 9 15.683 -3.979 -1.751 1.00 0.00 H new HETATM 0 HN41 CPN B 9 16.482 -2.496 -2.285 1.00 0.00 H new HETATM 0 H8'2 CPN B 9 13.292 -0.721 3.262 1.00 0.00 H new HETATM 0 H8'1 CPN B 9 13.600 0.746 2.355 1.00 0.00 H new HETATM 0 H5'2 CPN B 9 15.550 2.262 6.285 1.00 0.00 H new HETATM 0 H5'1 CPN B 9 16.766 1.794 5.114 1.00 0.00 H new HETATM 0 H3'2 CPN B 9 12.834 0.475 4.884 1.00 0.00 H new HETATM 0 H3'1 CPN B 9 13.467 1.194 6.352 1.00 0.00 H new HETATM 0 H2'2 CPN B 9 13.953 3.315 4.950 1.00 0.00 H new HETATM 0 H2'1 CPN B 9 13.013 2.579 3.668 1.00 0.00 H new HETATM 0 H1'3 CPN B 9 11.658 3.994 5.047 1.00 0.00 H new HETATM 0 H6 CPN B 9 13.561 -2.781 2.220 1.00 0.00 H new HETATM 0 H5 CPN B 9 14.370 -4.089 0.290 1.00 0.00 H new TER 536 CPN B 9 HETATM 537 N NME A 10 -19.755 2.402 0.551 1.00 0.00 N HETATM 538 C NME A 10 -20.852 1.497 0.205 1.00 0.00 C HETATM 543 N NME B 10 16.288 -0.897 6.566 1.00 0.00 N HETATM 544 C NME B 10 16.791 -1.965 7.432 1.00 0.00 C