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 2 GPN C2' :...(NH2R) USER MOD NoAdj-H: A 2 GPNH1'1 : A 2 GPN N1' : A 2 GPN C2' :...(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 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 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 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 CPNH1'2 : 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= -0.0418 (180deg=-0.0418) USER MOD Single : A 3 GPN N1' :NH3+ 180:sc= -0.0992 (180deg=-0.0992) USER MOD Single : A 4 CPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 APN N1' :NH3+ 172:sc= 0 (180deg=-0.0925) 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+ 172:sc=-0.00232 (180deg=-0.0862) 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+ 175:sc=-3.3e-06 (180deg=-0.0352) 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+ 165:sc= 0 (180deg=-0.24) USER MOD Single : B 9 CPN N1' :NH3+ 180:sc= -0.0396 (180deg=-0.0396) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 19.921 5.350 -0.976 1.00 0.00 C HETATM 2 O ACE A 1 20.460 4.454 -0.324 1.00 0.00 O HETATM 3 CH3 ACE A 1 18.913 6.262 -0.288 1.00 0.00 C HETATM 0 H1 ACE A 1 19.261 7.294 -0.340 1.00 0.00 H new HETATM 0 H2 ACE A 1 17.947 6.179 -0.787 1.00 0.00 H new HETATM 0 H3 ACE A 1 18.809 5.967 0.756 1.00 0.00 H new HETATM 7 C8' GPN A 2 20.215 3.549 -5.286 1.00 0.00 C HETATM 8 C7' GPN A 2 19.148 4.522 -5.824 1.00 0.00 C HETATM 9 O7' GPN A 2 18.348 4.117 -6.677 1.00 0.00 O HETATM 10 C5' GPN A 2 18.010 6.705 -5.836 1.00 0.00 C HETATM 11 C' GPN A 2 16.581 6.319 -5.422 1.00 0.00 C HETATM 12 O1' GPN A 2 15.637 6.948 -5.916 1.00 0.00 O HETATM 13 N4' GPN A 2 19.087 5.800 -5.376 1.00 0.00 N HETATM 14 C3' GPN A 2 20.137 6.459 -4.597 1.00 0.00 C HETATM 15 C2' GPN A 2 19.704 6.637 -3.136 1.00 0.00 C HETATM 16 N1' GPN A 2 20.200 5.542 -2.277 1.00 0.00 N HETATM 17 N9 GPN A 2 19.646 2.193 -5.104 1.00 0.00 N HETATM 18 C8 GPN A 2 19.858 1.070 -5.867 1.00 0.00 C HETATM 19 N7 GPN A 2 19.204 0.015 -5.460 1.00 0.00 N HETATM 20 C5 GPN A 2 18.499 0.472 -4.337 1.00 0.00 C HETATM 21 C6 GPN A 2 17.606 -0.206 -3.430 1.00 0.00 C HETATM 22 O6 GPN A 2 17.232 -1.383 -3.430 1.00 0.00 O HETATM 23 N1 GPN A 2 17.126 0.613 -2.421 1.00 0.00 N HETATM 24 C2 GPN A 2 17.443 1.939 -2.283 1.00 0.00 C HETATM 25 N2 GPN A 2 16.945 2.610 -1.266 1.00 0.00 N HETATM 26 N3 GPN A 2 18.251 2.605 -3.119 1.00 0.00 N HETATM 27 C4 GPN A 2 18.758 1.813 -4.121 1.00 0.00 C HETATM 0 HN22 GPN A 2 17.170 3.598 -1.147 1.00 0.00 H new HETATM 0 HN21 GPN A 2 16.334 2.142 -0.597 1.00 0.00 H new HETATM 0 H8'2 GPN A 2 21.056 3.506 -5.978 1.00 0.00 H new HETATM 0 H8'1 GPN A 2 20.603 3.916 -4.336 1.00 0.00 H new HETATM 0 H5'2 GPN A 2 18.049 6.760 -6.924 1.00 0.00 H new HETATM 0 H5'1 GPN A 2 18.218 7.706 -5.458 1.00 0.00 H new HETATM 0 H3'2 GPN A 2 21.052 5.869 -4.640 1.00 0.00 H new HETATM 0 H3'1 GPN A 2 20.364 7.431 -5.034 1.00 0.00 H new HETATM 0 H2'2 GPN A 2 20.076 7.590 -2.761 1.00 0.00 H new HETATM 0 H2'1 GPN A 2 18.616 6.676 -3.082 1.00 0.00 H new HETATM 0 H1'2 GPN A 2 19.892 5.696 -1.317 1.00 0.00 H new HETATM 0 HN1 GPN A 2 16.494 0.201 -1.734 1.00 0.00 H new HETATM 0 H8 GPN A 2 20.515 1.060 -6.737 1.00 0.00 H new HETATM 41 C8' GPN A 3 13.765 1.530 -3.215 1.00 0.00 C HETATM 42 C7' GPN A 3 12.841 2.271 -4.206 1.00 0.00 C HETATM 43 O7' GPN A 3 11.636 2.004 -4.250 1.00 0.00 O HETATM 44 C5' GPN A 3 12.502 3.871 -6.051 1.00 0.00 C HETATM 45 C' GPN A 3 11.720 5.111 -5.585 1.00 0.00 C HETATM 46 O1' GPN A 3 11.278 5.885 -6.441 1.00 0.00 O HETATM 47 N4' GPN A 3 13.351 3.219 -5.026 1.00 0.00 N HETATM 48 C3' GPN A 3 14.774 3.548 -5.102 1.00 0.00 C HETATM 49 C2' GPN A 3 15.088 4.733 -4.187 1.00 0.00 C HETATM 50 N1' GPN A 3 16.397 5.300 -4.556 1.00 0.00 N HETATM 51 N9 GPN A 3 13.069 0.441 -2.486 1.00 0.00 N HETATM 52 C8 GPN A 3 12.957 -0.878 -2.854 1.00 0.00 C HETATM 53 N7 GPN A 3 12.257 -1.608 -2.031 1.00 0.00 N HETATM 54 C5 GPN A 3 11.875 -0.707 -1.030 1.00 0.00 C HETATM 55 C6 GPN A 3 11.092 -0.891 0.165 1.00 0.00 C HETATM 56 O6 GPN A 3 10.564 -1.918 0.605 1.00 0.00 O HETATM 57 N1 GPN A 3 10.929 0.275 0.897 1.00 0.00 N HETATM 58 C2 GPN A 3 11.461 1.487 0.548 1.00 0.00 C HETATM 59 N2 GPN A 3 11.245 2.528 1.325 1.00 0.00 N HETATM 60 N3 GPN A 3 12.202 1.689 -0.545 1.00 0.00 N HETATM 61 C4 GPN A 3 12.373 0.555 -1.301 1.00 0.00 C HETATM 0 HN22 GPN A 3 11.635 3.438 1.079 1.00 0.00 H new HETATM 0 HN21 GPN A 3 10.688 2.424 2.173 1.00 0.00 H new HETATM 0 H8'2 GPN A 3 14.613 1.113 -3.758 1.00 0.00 H new HETATM 0 H8'1 GPN A 3 14.166 2.244 -2.496 1.00 0.00 H new HETATM 0 H5'2 GPN A 3 11.790 3.136 -6.426 1.00 0.00 H new HETATM 0 H5'1 GPN A 3 13.135 4.159 -6.890 1.00 0.00 H new HETATM 0 H3'2 GPN A 3 15.371 2.684 -4.810 1.00 0.00 H new HETATM 0 H3'1 GPN A 3 15.045 3.790 -6.130 1.00 0.00 H new HETATM 0 H2'2 GPN A 3 14.311 5.493 -4.277 1.00 0.00 H new HETATM 0 H2'1 GPN A 3 15.099 4.410 -3.146 1.00 0.00 H new HETATM 0 H1'3 GPN A 3 16.609 6.091 -3.948 1.00 0.00 H new HETATM 0 HN1 GPN A 3 10.376 0.227 1.753 1.00 0.00 H new HETATM 0 H8 GPN A 3 13.415 -1.280 -3.758 1.00 0.00 H new HETATM 75 C8' CPN A 4 9.389 3.519 -1.804 1.00 0.00 C HETATM 76 C7' CPN A 4 8.483 4.363 -2.728 1.00 0.00 C HETATM 77 O7' CPN A 4 7.454 3.852 -3.180 1.00 0.00 O HETATM 78 C5' CPN A 4 7.932 6.456 -3.912 1.00 0.00 C HETATM 79 C' CPN A 4 7.071 7.542 -3.247 1.00 0.00 C HETATM 80 O1' CPN A 4 6.468 8.339 -3.974 1.00 0.00 O HETATM 81 N4' CPN A 4 8.803 5.651 -3.015 1.00 0.00 N HETATM 82 C3' CPN A 4 10.023 6.320 -2.536 1.00 0.00 C HETATM 83 C2' CPN A 4 11.040 6.567 -3.658 1.00 0.00 C HETATM 84 N1' CPN A 4 11.576 5.330 -4.262 1.00 0.00 N HETATM 85 N1 CPN A 4 8.809 2.183 -1.468 1.00 0.00 N HETATM 86 C2 CPN A 4 8.032 2.049 -0.318 1.00 0.00 C HETATM 87 N3 CPN A 4 7.529 0.846 0.033 1.00 0.00 N HETATM 88 C4 CPN A 4 7.757 -0.194 -0.749 1.00 0.00 C HETATM 89 C5 CPN A 4 8.525 -0.114 -1.945 1.00 0.00 C HETATM 90 C6 CPN A 4 9.038 1.095 -2.276 1.00 0.00 C HETATM 91 O2 CPN A 4 7.772 3.007 0.413 1.00 0.00 O HETATM 92 N4 CPN A 4 7.215 -1.329 -0.385 1.00 0.00 N HETATM 0 HN42 CPN A 4 7.357 -2.166 -0.950 1.00 0.00 H new HETATM 0 HN41 CPN A 4 6.651 -1.376 0.464 1.00 0.00 H new HETATM 0 H8'2 CPN A 4 10.356 3.377 -2.286 1.00 0.00 H new HETATM 0 H8'1 CPN A 4 9.571 4.071 -0.882 1.00 0.00 H new HETATM 0 H5'2 CPN A 4 7.268 5.774 -4.444 1.00 0.00 H new HETATM 0 H5'1 CPN A 4 8.564 6.934 -4.661 1.00 0.00 H new HETATM 0 H3'2 CPN A 4 9.755 7.272 -2.078 1.00 0.00 H new HETATM 0 H3'1 CPN A 4 10.485 5.711 -1.759 1.00 0.00 H new HETATM 0 H2'2 CPN A 4 10.568 7.166 -4.437 1.00 0.00 H new HETATM 0 H2'1 CPN A 4 11.868 7.155 -3.262 1.00 0.00 H new HETATM 0 H1'3 CPN A 4 12.242 5.570 -4.996 1.00 0.00 H new HETATM 0 H6 CPN A 4 9.632 1.205 -3.183 1.00 0.00 H new HETATM 0 H5 CPN A 4 8.694 -0.991 -2.570 1.00 0.00 H new HETATM 106 C8' APN A 5 4.760 5.345 -0.343 1.00 0.00 C HETATM 107 C7' APN A 5 3.953 6.272 -1.282 1.00 0.00 C HETATM 108 O7' APN A 5 3.154 5.773 -2.081 1.00 0.00 O HETATM 109 C5' APN A 5 3.388 8.514 -2.139 1.00 0.00 C HETATM 110 C' APN A 5 2.146 9.224 -1.571 1.00 0.00 C HETATM 111 O1' APN A 5 1.407 9.829 -2.356 1.00 0.00 O HETATM 112 N4' APN A 5 4.128 7.616 -1.218 1.00 0.00 N HETATM 113 C3' APN A 5 5.124 8.264 -0.352 1.00 0.00 C HETATM 114 C2' APN A 5 6.377 8.694 -1.126 1.00 0.00 C HETATM 115 N1' APN A 5 7.019 7.608 -1.900 1.00 0.00 N HETATM 116 N9 APN A 5 4.329 3.928 -0.390 1.00 0.00 N HETATM 117 C8 APN A 5 4.852 2.896 -1.128 1.00 0.00 C HETATM 118 N7 APN A 5 4.319 1.731 -0.874 1.00 0.00 N HETATM 119 C5 APN A 5 3.334 2.026 0.077 1.00 0.00 C HETATM 120 C6 APN A 5 2.358 1.272 0.780 1.00 0.00 C HETATM 121 N6 APN A 5 2.180 -0.032 0.670 1.00 0.00 N HETATM 122 N1 APN A 5 1.490 1.872 1.601 1.00 0.00 N HETATM 123 C2 APN A 5 1.591 3.189 1.742 1.00 0.00 C HETATM 124 N3 APN A 5 2.462 4.022 1.181 1.00 0.00 N HETATM 125 C4 APN A 5 3.317 3.369 0.350 1.00 0.00 C HETATM 0 HN62 APN A 5 1.452 -0.495 1.214 1.00 0.00 H new HETATM 0 HN61 APN A 5 2.770 -0.576 0.041 1.00 0.00 H new HETATM 0 H8'2 APN A 5 5.816 5.403 -0.609 1.00 0.00 H new HETATM 0 H8'1 APN A 5 4.668 5.710 0.680 1.00 0.00 H new HETATM 0 H5'2 APN A 5 3.078 7.930 -3.006 1.00 0.00 H new HETATM 0 H5'1 APN A 5 4.080 9.276 -2.498 1.00 0.00 H new HETATM 0 H3'2 APN A 5 4.676 9.137 0.123 1.00 0.00 H new HETATM 0 H3'1 APN A 5 5.410 7.578 0.446 1.00 0.00 H new HETATM 0 H2'2 APN A 5 6.109 9.501 -1.808 1.00 0.00 H new HETATM 0 H2'1 APN A 5 7.103 9.100 -0.422 1.00 0.00 H new HETATM 0 H1'3 APN A 5 7.757 7.998 -2.486 1.00 0.00 H new HETATM 0 H8 APN A 5 5.644 3.037 -1.863 1.00 0.00 H new HETATM 0 H2 APN A 5 0.861 3.649 2.408 1.00 0.00 H new HETATM 139 C8' TPN A 6 -0.273 6.400 0.384 1.00 0.00 C HETATM 140 C7' TPN A 6 -1.187 7.400 -0.348 1.00 0.00 C HETATM 141 O7' TPN A 6 -1.985 6.988 -1.198 1.00 0.00 O HETATM 142 C5' TPN A 6 -1.990 9.686 -0.742 1.00 0.00 C HETATM 143 C' TPN A 6 -3.418 9.827 -0.189 1.00 0.00 C HETATM 144 O1' TPN A 6 -4.216 10.561 -0.784 1.00 0.00 O HETATM 145 N4' TPN A 6 -1.127 8.715 -0.031 1.00 0.00 N HETATM 146 C3' TPN A 6 -0.279 9.275 1.028 1.00 0.00 C HETATM 147 C2' TPN A 6 0.929 10.036 0.469 1.00 0.00 C HETATM 148 N1' TPN A 6 1.910 9.188 -0.244 1.00 0.00 N HETATM 149 N1 TPN A 6 -0.517 4.990 -0.027 1.00 0.00 N HETATM 150 C6 TPN A 6 0.175 4.461 -1.097 1.00 0.00 C HETATM 151 C2 TPN A 6 -1.355 4.197 0.767 1.00 0.00 C HETATM 152 O2 TPN A 6 -1.959 4.614 1.752 1.00 0.00 O HETATM 153 N3 TPN A 6 -1.452 2.870 0.423 1.00 0.00 N HETATM 154 C4 TPN A 6 -0.803 2.259 -0.625 1.00 0.00 C HETATM 155 O4 TPN A 6 -0.979 1.056 -0.814 1.00 0.00 O HETATM 156 C5 TPN A 6 0.070 3.141 -1.399 1.00 0.00 C HETATM 157 C5M TPN A 6 0.925 2.552 -2.496 1.00 0.00 C HETATM 0 HM53 TPN A 6 0.708 3.057 -3.437 1.00 0.00 H new HETATM 0 HM52 TPN A 6 1.978 2.684 -2.247 1.00 0.00 H new HETATM 0 HM51 TPN A 6 0.707 1.489 -2.596 1.00 0.00 H new HETATM 0 H8'2 TPN A 6 0.768 6.656 0.189 1.00 0.00 H new HETATM 0 H8'1 TPN A 6 -0.428 6.493 1.459 1.00 0.00 H new HETATM 0 H5'2 TPN A 6 -2.052 9.392 -1.790 1.00 0.00 H new HETATM 0 H5'1 TPN A 6 -1.509 10.664 -0.713 1.00 0.00 H new HETATM 0 H3'2 TPN A 6 -0.873 9.947 1.648 1.00 0.00 H new HETATM 0 H3'1 TPN A 6 0.070 8.470 1.674 1.00 0.00 H new HETATM 0 H2'2 TPN A 6 0.573 10.809 -0.212 1.00 0.00 H new HETATM 0 H2'1 TPN A 6 1.435 10.543 1.290 1.00 0.00 H new HETATM 0 H1'3 TPN A 6 2.678 9.767 -0.583 1.00 0.00 H new HETATM 0 HN3 TPN A 6 -2.060 2.285 0.996 1.00 0.00 H new HETATM 0 H6 TPN A 6 0.810 5.107 -1.704 1.00 0.00 H new HETATM 172 C8' GPN A 7 -4.817 5.584 0.561 1.00 0.00 C HETATM 173 C7' GPN A 7 -5.935 6.480 -0.019 1.00 0.00 C HETATM 174 O7' GPN A 7 -6.434 6.183 -1.111 1.00 0.00 O HETATM 175 C5' GPN A 7 -7.513 8.366 0.149 1.00 0.00 C HETATM 176 C' GPN A 7 -8.867 8.129 0.839 1.00 0.00 C HETATM 177 O1' GPN A 7 -9.843 8.791 0.470 1.00 0.00 O HETATM 178 N4' GPN A 7 -6.372 7.568 0.666 1.00 0.00 N HETATM 179 C3' GPN A 7 -5.774 8.053 1.919 1.00 0.00 C HETATM 180 C2' GPN A 7 -4.978 9.349 1.725 1.00 0.00 C HETATM 181 N1' GPN A 7 -3.740 9.167 0.942 1.00 0.00 N HETATM 182 N9 GPN A 7 -4.777 4.249 -0.089 1.00 0.00 N HETATM 183 C8 GPN A 7 -4.114 3.874 -1.235 1.00 0.00 C HETATM 184 N7 GPN A 7 -4.340 2.641 -1.603 1.00 0.00 N HETATM 185 C5 GPN A 7 -5.216 2.153 -0.624 1.00 0.00 C HETATM 186 C6 GPN A 7 -5.866 0.874 -0.476 1.00 0.00 C HETATM 187 O6 GPN A 7 -5.807 -0.122 -1.203 1.00 0.00 O HETATM 188 N1 GPN A 7 -6.665 0.795 0.655 1.00 0.00 N HETATM 189 C2 GPN A 7 -6.841 1.815 1.549 1.00 0.00 C HETATM 190 N2 GPN A 7 -7.634 1.631 2.584 1.00 0.00 N HETATM 191 N3 GPN A 7 -6.279 3.021 1.425 1.00 0.00 N HETATM 192 C4 GPN A 7 -5.472 3.131 0.321 1.00 0.00 C HETATM 0 HN22 GPN A 7 -7.775 2.383 3.259 1.00 0.00 H new HETATM 0 HN21 GPN A 7 -8.108 0.737 2.711 1.00 0.00 H new HETATM 0 H8'2 GPN A 7 -3.854 6.078 0.433 1.00 0.00 H new HETATM 0 H8'1 GPN A 7 -4.972 5.460 1.633 1.00 0.00 H new HETATM 0 H5'2 GPN A 7 -7.627 8.154 -0.914 1.00 0.00 H new HETATM 0 H5'1 GPN A 7 -7.262 9.423 0.238 1.00 0.00 H new HETATM 0 H3'2 GPN A 7 -6.562 8.221 2.653 1.00 0.00 H new HETATM 0 H3'1 GPN A 7 -5.117 7.284 2.326 1.00 0.00 H new HETATM 0 H2'2 GPN A 7 -5.610 10.083 1.225 1.00 0.00 H new HETATM 0 H2'1 GPN A 7 -4.724 9.760 2.702 1.00 0.00 H new HETATM 0 H1'3 GPN A 7 -3.260 10.063 0.850 1.00 0.00 H new HETATM 0 HN1 GPN A 7 -7.154 -0.082 0.832 1.00 0.00 H new HETATM 0 H8 GPN A 7 -3.458 4.547 -1.787 1.00 0.00 H new HETATM 206 C8' CPN A 8 -9.478 3.992 0.415 1.00 0.00 C HETATM 207 C7' CPN A 8 -10.718 4.865 0.132 1.00 0.00 C HETATM 208 O7' CPN A 8 -11.152 4.919 -1.023 1.00 0.00 O HETATM 209 C5' CPN A 8 -12.583 6.287 0.891 1.00 0.00 C HETATM 210 C' CPN A 8 -13.886 5.542 1.225 1.00 0.00 C HETATM 211 O1' CPN A 8 -14.962 6.073 0.928 1.00 0.00 O HETATM 212 N4' CPN A 8 -11.328 5.537 1.140 1.00 0.00 N HETATM 213 C3' CPN A 8 -10.792 5.656 2.500 1.00 0.00 C HETATM 214 C2' CPN A 8 -10.105 7.008 2.719 1.00 0.00 C HETATM 215 N1' CPN A 8 -8.940 7.224 1.837 1.00 0.00 N HETATM 216 N1 CPN A 8 -9.240 2.970 -0.645 1.00 0.00 N HETATM 217 C2 CPN A 8 -9.944 1.768 -0.590 1.00 0.00 C HETATM 218 N3 CPN A 8 -9.738 0.814 -1.520 1.00 0.00 N HETATM 219 C4 CPN A 8 -8.869 1.043 -2.488 1.00 0.00 C HETATM 220 C5 CPN A 8 -8.137 2.258 -2.606 1.00 0.00 C HETATM 221 C6 CPN A 8 -8.347 3.206 -1.661 1.00 0.00 C HETATM 222 O2 CPN A 8 -10.767 1.530 0.297 1.00 0.00 O HETATM 223 N4 CPN A 8 -8.719 0.083 -3.362 1.00 0.00 N HETATM 0 HN42 CPN A 8 -8.063 0.195 -4.135 1.00 0.00 H new HETATM 0 HN41 CPN A 8 -9.258 -0.778 -3.271 1.00 0.00 H new HETATM 0 H8'2 CPN A 8 -8.600 4.632 0.501 1.00 0.00 H new HETATM 0 H8'1 CPN A 8 -9.602 3.491 1.375 1.00 0.00 H new HETATM 0 H5'2 CPN A 8 -12.610 6.574 -0.160 1.00 0.00 H new HETATM 0 H5'1 CPN A 8 -12.555 7.209 1.472 1.00 0.00 H new HETATM 0 H3'2 CPN A 8 -11.600 5.537 3.222 1.00 0.00 H new HETATM 0 H3'1 CPN A 8 -10.080 4.851 2.683 1.00 0.00 H new HETATM 0 H2'2 CPN A 8 -10.829 7.806 2.554 1.00 0.00 H new HETATM 0 H2'1 CPN A 8 -9.783 7.079 3.758 1.00 0.00 H new HETATM 0 H1'3 CPN A 8 -8.611 8.184 1.936 1.00 0.00 H new HETATM 0 H6 CPN A 8 -7.809 4.153 -1.707 1.00 0.00 H new HETATM 0 H5 CPN A 8 -7.435 2.419 -3.424 1.00 0.00 H new HETATM 237 C8' CPN A 9 -13.679 2.542 -0.987 1.00 0.00 C HETATM 238 C7' CPN A 9 -15.173 2.928 -0.962 1.00 0.00 C HETATM 239 O7' CPN A 9 -15.695 3.301 -2.019 1.00 0.00 O HETATM 240 C5' CPN A 9 -17.307 3.299 0.202 1.00 0.00 C HETATM 241 C' CPN A 9 -18.316 2.265 -0.320 1.00 0.00 C HETATM 242 O1' CPN A 9 -19.518 2.539 -0.305 1.00 0.00 O HETATM 243 N4' CPN A 9 -15.892 2.866 0.186 1.00 0.00 N HETATM 244 C3' CPN A 9 -15.396 2.401 1.482 1.00 0.00 C HETATM 245 C2' CPN A 9 -14.964 3.577 2.368 1.00 0.00 C HETATM 246 N1' CPN A 9 -13.815 4.340 1.834 1.00 0.00 N HETATM 247 N1 CPN A 9 -13.303 1.753 -2.192 1.00 0.00 N HETATM 248 C2 CPN A 9 -13.852 0.480 -2.353 1.00 0.00 C HETATM 249 N3 CPN A 9 -13.503 -0.285 -3.410 1.00 0.00 N HETATM 250 C4 CPN A 9 -12.636 0.197 -4.281 1.00 0.00 C HETATM 251 C5 CPN A 9 -12.049 1.492 -4.172 1.00 0.00 C HETATM 252 C6 CPN A 9 -12.408 2.249 -3.108 1.00 0.00 C HETATM 253 O2 CPN A 9 -14.643 0.005 -1.535 1.00 0.00 O HETATM 254 N4 CPN A 9 -12.346 -0.586 -5.288 1.00 0.00 N HETATM 0 HN42 CPN A 9 -11.683 -0.278 -5.999 1.00 0.00 H new HETATM 0 HN41 CPN A 9 -12.783 -1.505 -5.362 1.00 0.00 H new HETATM 0 H8'2 CPN A 9 -13.074 3.448 -0.950 1.00 0.00 H new HETATM 0 H8'1 CPN A 9 -13.443 1.964 -0.093 1.00 0.00 H new HETATM 0 H5'2 CPN A 9 -17.399 4.206 -0.396 1.00 0.00 H new HETATM 0 H5'1 CPN A 9 -17.578 3.562 1.225 1.00 0.00 H new HETATM 0 H3'2 CPN A 9 -16.174 1.829 1.987 1.00 0.00 H new HETATM 0 H3'1 CPN A 9 -14.552 1.728 1.331 1.00 0.00 H new HETATM 0 H2'2 CPN A 9 -15.809 4.253 2.494 1.00 0.00 H new HETATM 0 H2'1 CPN A 9 -14.708 3.199 3.358 1.00 0.00 H new HETATM 0 H1'3 CPN A 9 -13.586 5.102 2.472 1.00 0.00 H new HETATM 0 H6 CPN A 9 -11.989 3.247 -2.979 1.00 0.00 H new HETATM 0 H5 CPN A 9 -11.340 1.858 -4.915 1.00 0.00 H new TER 268 CPN A 9 HETATM 269 C ACE B 1 -20.740 -11.675 -2.101 1.00 0.00 C HETATM 270 O ACE B 1 -21.967 -11.746 -1.997 1.00 0.00 O HETATM 271 CH3 ACE B 1 -20.001 -12.733 -2.907 1.00 0.00 C HETATM 0 H1 ACE B 1 -19.469 -12.257 -3.731 1.00 0.00 H new HETATM 0 H2 ACE B 1 -19.287 -13.248 -2.264 1.00 0.00 H new HETATM 0 H3 ACE B 1 -20.716 -13.453 -3.305 1.00 0.00 H new HETATM 275 C8' GPN B 2 -16.894 -7.581 -2.693 1.00 0.00 C HETATM 276 C7' GPN B 2 -16.057 -8.378 -1.666 1.00 0.00 C HETATM 277 O7' GPN B 2 -14.823 -8.291 -1.672 1.00 0.00 O HETATM 278 C5' GPN B 2 -15.897 -10.069 0.120 1.00 0.00 C HETATM 279 C' GPN B 2 -15.531 -9.485 1.493 1.00 0.00 C HETATM 280 O1' GPN B 2 -14.754 -10.117 2.217 1.00 0.00 O HETATM 281 N4' GPN B 2 -16.681 -9.186 -0.775 1.00 0.00 N HETATM 282 C3' GPN B 2 -18.133 -9.336 -0.695 1.00 0.00 C HETATM 283 C2' GPN B 2 -18.575 -10.491 -1.595 1.00 0.00 C HETATM 284 N1' GPN B 2 -20.036 -10.689 -1.520 1.00 0.00 N HETATM 285 N9 GPN B 2 -16.055 -6.748 -3.592 1.00 0.00 N HETATM 286 C8 GPN B 2 -15.445 -7.122 -4.766 1.00 0.00 C HETATM 287 N7 GPN B 2 -14.731 -6.181 -5.324 1.00 0.00 N HETATM 288 C5 GPN B 2 -14.872 -5.093 -4.452 1.00 0.00 C HETATM 289 C6 GPN B 2 -14.325 -3.759 -4.496 1.00 0.00 C HETATM 290 O6 GPN B 2 -13.590 -3.239 -5.343 1.00 0.00 O HETATM 291 N1 GPN B 2 -14.706 -2.974 -3.419 1.00 0.00 N HETATM 292 C2 GPN B 2 -15.521 -3.400 -2.402 1.00 0.00 C HETATM 293 N2 GPN B 2 -15.776 -2.577 -1.406 1.00 0.00 N HETATM 294 N3 GPN B 2 -16.071 -4.623 -2.346 1.00 0.00 N HETATM 295 C4 GPN B 2 -15.699 -5.430 -3.393 1.00 0.00 C HETATM 0 HN22 GPN B 2 -16.380 -2.875 -0.640 1.00 0.00 H new HETATM 0 HN21 GPN B 2 -15.370 -1.641 -1.401 1.00 0.00 H new HETATM 0 H8'2 GPN B 2 -17.483 -8.275 -3.292 1.00 0.00 H new HETATM 0 H8'1 GPN B 2 -17.598 -6.940 -2.163 1.00 0.00 H new HETATM 0 H5'2 GPN B 2 -14.975 -10.346 -0.392 1.00 0.00 H new HETATM 0 H5'1 GPN B 2 -16.462 -10.988 0.277 1.00 0.00 H new HETATM 0 H3'2 GPN B 2 -18.434 -9.528 0.335 1.00 0.00 H new HETATM 0 H3'1 GPN B 2 -18.623 -8.412 -1.003 1.00 0.00 H new HETATM 0 H2'2 GPN B 2 -18.284 -10.286 -2.625 1.00 0.00 H new HETATM 0 H2'1 GPN B 2 -18.064 -11.406 -1.296 1.00 0.00 H new HETATM 0 H1'2 GPN B 2 -20.306 -11.463 -2.127 1.00 0.00 H new HETATM 0 HN1 GPN B 2 -14.357 -2.016 -3.380 1.00 0.00 H new HETATM 0 H8 GPN B 2 -15.548 -8.119 -5.195 1.00 0.00 H new HETATM 309 C8' GPN B 3 -14.014 -5.646 0.647 1.00 0.00 C HETATM 310 C7' GPN B 3 -13.181 -6.412 1.700 1.00 0.00 C HETATM 311 O7' GPN B 3 -12.013 -6.725 1.435 1.00 0.00 O HETATM 312 C5' GPN B 3 -12.922 -7.439 3.931 1.00 0.00 C HETATM 313 C' GPN B 3 -12.460 -6.597 5.133 1.00 0.00 C HETATM 314 O1' GPN B 3 -11.907 -7.171 6.078 1.00 0.00 O HETATM 315 N4' GPN B 3 -13.724 -6.725 2.904 1.00 0.00 N HETATM 316 C3' GPN B 3 -15.122 -6.456 3.269 1.00 0.00 C HETATM 317 C2' GPN B 3 -15.991 -7.718 3.217 1.00 0.00 C HETATM 318 N1' GPN B 3 -16.087 -8.316 1.870 1.00 0.00 N HETATM 319 N9 GPN B 3 -13.166 -5.069 -0.426 1.00 0.00 N HETATM 320 C8 GPN B 3 -12.678 -5.685 -1.553 1.00 0.00 C HETATM 321 N7 GPN B 3 -11.906 -4.930 -2.288 1.00 0.00 N HETATM 322 C5 GPN B 3 -11.882 -3.713 -1.596 1.00 0.00 C HETATM 323 C6 GPN B 3 -11.198 -2.476 -1.876 1.00 0.00 C HETATM 324 O6 GPN B 3 -10.460 -2.191 -2.823 1.00 0.00 O HETATM 325 N1 GPN B 3 -11.414 -1.502 -0.911 1.00 0.00 N HETATM 326 C2 GPN B 3 -12.212 -1.667 0.188 1.00 0.00 C HETATM 327 N2 GPN B 3 -12.324 -0.684 1.056 1.00 0.00 N HETATM 328 N3 GPN B 3 -12.874 -2.793 0.466 1.00 0.00 N HETATM 329 C4 GPN B 3 -12.661 -3.787 -0.457 1.00 0.00 C HETATM 0 HN22 GPN B 3 -12.916 -0.795 1.879 1.00 0.00 H new HETATM 0 HN21 GPN B 3 -11.819 0.189 0.906 1.00 0.00 H new HETATM 0 H8'2 GPN B 3 -14.747 -6.321 0.205 1.00 0.00 H new HETATM 0 H8'1 GPN B 3 -14.571 -4.847 1.137 1.00 0.00 H new HETATM 0 H5'2 GPN B 3 -12.040 -7.859 3.447 1.00 0.00 H new HETATM 0 H5'1 GPN B 3 -13.510 -8.277 4.305 1.00 0.00 H new HETATM 0 H3'2 GPN B 3 -15.158 -6.034 4.273 1.00 0.00 H new HETATM 0 H3'1 GPN B 3 -15.534 -5.706 2.593 1.00 0.00 H new HETATM 0 H2'2 GPN B 3 -15.583 -8.458 3.906 1.00 0.00 H new HETATM 0 H2'1 GPN B 3 -16.993 -7.473 3.569 1.00 0.00 H new HETATM 0 H1'3 GPN B 3 -16.677 -9.147 1.908 1.00 0.00 H new HETATM 0 HN1 GPN B 3 -10.947 -0.603 -1.029 1.00 0.00 H new HETATM 0 H8 GPN B 3 -12.915 -6.717 -1.812 1.00 0.00 H new HETATM 343 C8' CPN B 4 -10.422 -3.087 3.277 1.00 0.00 C HETATM 344 C7' CPN B 4 -9.631 -3.681 4.464 1.00 0.00 C HETATM 345 O7' CPN B 4 -8.489 -4.105 4.267 1.00 0.00 O HETATM 346 C5' CPN B 4 -9.444 -4.327 6.840 1.00 0.00 C HETATM 347 C' CPN B 4 -8.890 -3.351 7.890 1.00 0.00 C HETATM 348 O1' CPN B 4 -8.524 -3.803 8.981 1.00 0.00 O HETATM 349 N4' CPN B 4 -10.180 -3.714 5.704 1.00 0.00 N HETATM 350 C3' CPN B 4 -11.529 -3.222 6.017 1.00 0.00 C HETATM 351 C2' CPN B 4 -12.519 -4.362 6.280 1.00 0.00 C HETATM 352 N1' CPN B 4 -12.701 -5.270 5.129 1.00 0.00 N HETATM 353 N1 CPN B 4 -9.620 -3.002 2.020 1.00 0.00 N HETATM 354 C2 CPN B 4 -8.888 -1.843 1.758 1.00 0.00 C HETATM 355 N3 CPN B 4 -8.173 -1.730 0.618 1.00 0.00 N HETATM 356 C4 CPN B 4 -8.148 -2.748 -0.223 1.00 0.00 C HETATM 357 C5 CPN B 4 -8.858 -3.962 0.001 1.00 0.00 C HETATM 358 C6 CPN B 4 -9.591 -4.054 1.136 1.00 0.00 C HETATM 359 O2 CPN B 4 -8.867 -0.889 2.538 1.00 0.00 O HETATM 360 N4 CPN B 4 -7.417 -2.593 -1.297 1.00 0.00 N HETATM 0 HN42 CPN B 4 -7.357 -3.343 -1.985 1.00 0.00 H new HETATM 0 HN41 CPN B 4 -6.908 -1.722 -1.446 1.00 0.00 H new HETATM 0 H8'2 CPN B 4 -11.306 -3.698 3.096 1.00 0.00 H new HETATM 0 H8'1 CPN B 4 -10.773 -2.090 3.545 1.00 0.00 H new HETATM 0 H5'2 CPN B 4 -8.613 -4.907 6.438 1.00 0.00 H new HETATM 0 H5'1 CPN B 4 -10.110 -5.029 7.342 1.00 0.00 H new HETATM 0 H3'2 CPN B 4 -11.483 -2.575 6.893 1.00 0.00 H new HETATM 0 H3'1 CPN B 4 -11.892 -2.613 5.189 1.00 0.00 H new HETATM 0 H2'2 CPN B 4 -12.173 -4.941 7.137 1.00 0.00 H new HETATM 0 H2'1 CPN B 4 -13.485 -3.937 6.552 1.00 0.00 H new HETATM 0 H1'3 CPN B 4 -13.304 -6.047 5.400 1.00 0.00 H new HETATM 0 H6 CPN B 4 -10.157 -4.961 1.348 1.00 0.00 H new HETATM 0 H5 CPN B 4 -8.813 -4.785 -0.713 1.00 0.00 H new HETATM 374 C8' APN B 5 -6.447 -0.793 5.336 1.00 0.00 C HETATM 375 C7' APN B 5 -5.674 -1.105 6.636 1.00 0.00 C HETATM 376 O7' APN B 5 -4.627 -1.759 6.577 1.00 0.00 O HETATM 377 C5' APN B 5 -5.321 -0.756 9.047 1.00 0.00 C HETATM 378 C' APN B 5 -4.499 0.512 9.340 1.00 0.00 C HETATM 379 O1' APN B 5 -4.822 1.603 8.857 1.00 0.00 O HETATM 380 N4' APN B 5 -6.147 -0.653 7.822 1.00 0.00 N HETATM 381 C3' APN B 5 -7.442 0.014 7.992 1.00 0.00 C HETATM 382 C2' APN B 5 -8.492 -0.957 8.540 1.00 0.00 C HETATM 383 N1' APN B 5 -8.847 -2.036 7.594 1.00 0.00 N HETATM 384 N9 APN B 5 -5.686 -1.111 4.104 1.00 0.00 N HETATM 385 C8 APN B 5 -5.849 -2.174 3.253 1.00 0.00 C HETATM 386 N7 APN B 5 -5.125 -2.107 2.167 1.00 0.00 N HETATM 387 C5 APN B 5 -4.382 -0.933 2.348 1.00 0.00 C HETATM 388 C6 APN B 5 -3.382 -0.257 1.602 1.00 0.00 C HETATM 389 N6 APN B 5 -2.927 -0.636 0.422 1.00 0.00 N HETATM 390 N1 APN B 5 -2.779 0.829 2.096 1.00 0.00 N HETATM 391 C2 APN B 5 -3.164 1.255 3.294 1.00 0.00 C HETATM 392 N3 APN B 5 -4.110 0.758 4.087 1.00 0.00 N HETATM 393 C4 APN B 5 -4.687 -0.348 3.549 1.00 0.00 C HETATM 0 HN62 APN B 5 -2.204 -0.089 -0.046 1.00 0.00 H new HETATM 0 HN61 APN B 5 -3.298 -1.476 -0.022 1.00 0.00 H new HETATM 0 H8'2 APN B 5 -7.380 -1.357 5.333 1.00 0.00 H new HETATM 0 H8'1 APN B 5 -6.714 0.264 5.326 1.00 0.00 H new HETATM 0 H5'2 APN B 5 -4.644 -1.604 8.949 1.00 0.00 H new HETATM 0 H5'1 APN B 5 -5.970 -0.963 9.898 1.00 0.00 H new HETATM 0 H3'2 APN B 5 -7.333 0.859 8.672 1.00 0.00 H new HETATM 0 H3'1 APN B 5 -7.777 0.415 7.035 1.00 0.00 H new HETATM 0 H2'2 APN B 5 -8.118 -1.402 9.462 1.00 0.00 H new HETATM 0 H2'1 APN B 5 -9.392 -0.399 8.797 1.00 0.00 H new HETATM 0 H1'3 APN B 5 -9.547 -2.644 8.019 1.00 0.00 H new HETATM 0 H8 APN B 5 -6.524 -3.003 3.464 1.00 0.00 H new HETATM 0 H2 APN B 5 -2.635 2.127 3.678 1.00 0.00 H new HETATM 407 C8' TPN B 6 -1.513 0.940 7.153 1.00 0.00 C HETATM 408 C7' TPN B 6 -0.467 0.660 8.252 1.00 0.00 C HETATM 409 O7' TPN B 6 0.486 -0.086 8.001 1.00 0.00 O HETATM 410 C5' TPN B 6 0.451 1.013 10.505 1.00 0.00 C HETATM 411 C' TPN B 6 1.643 1.985 10.482 1.00 0.00 C HETATM 412 O1' TPN B 6 2.611 1.755 11.215 1.00 0.00 O HETATM 413 N4' TPN B 6 -0.582 1.246 9.467 1.00 0.00 N HETATM 414 C3' TPN B 6 -1.673 2.151 9.852 1.00 0.00 C HETATM 415 C2' TPN B 6 -2.686 1.473 10.784 1.00 0.00 C HETATM 416 N1' TPN B 6 -3.435 0.367 10.153 1.00 0.00 N HETATM 417 N1 TPN B 6 -1.125 0.351 5.840 1.00 0.00 N HETATM 418 C6 TPN B 6 -1.581 -0.900 5.477 1.00 0.00 C HETATM 419 C2 TPN B 6 -0.303 1.103 4.990 1.00 0.00 C HETATM 420 O2 TPN B 6 0.080 2.242 5.244 1.00 0.00 O HETATM 421 N3 TPN B 6 0.055 0.513 3.800 1.00 0.00 N HETATM 422 C4 TPN B 6 -0.316 -0.743 3.379 1.00 0.00 C HETATM 423 O4 TPN B 6 0.103 -1.156 2.296 1.00 0.00 O HETATM 424 C5 TPN B 6 -1.213 -1.452 4.291 1.00 0.00 C HETATM 425 C5M TPN B 6 -1.775 -2.790 3.876 1.00 0.00 C HETATM 0 HM53 TPN B 6 -1.501 -3.544 4.614 1.00 0.00 H new HETATM 0 HM52 TPN B 6 -2.861 -2.724 3.810 1.00 0.00 H new HETATM 0 HM51 TPN B 6 -1.369 -3.069 2.904 1.00 0.00 H new HETATM 0 H8'2 TPN B 6 -2.477 0.534 7.460 1.00 0.00 H new HETATM 0 H8'1 TPN B 6 -1.641 2.017 7.042 1.00 0.00 H new HETATM 0 H5'2 TPN B 6 0.831 -0.003 10.394 1.00 0.00 H new HETATM 0 H5'1 TPN B 6 -0.024 1.070 11.485 1.00 0.00 H new HETATM 0 H3'2 TPN B 6 -1.257 3.029 10.347 1.00 0.00 H new HETATM 0 H3'1 TPN B 6 -2.185 2.503 8.956 1.00 0.00 H new HETATM 0 H2'2 TPN B 6 -2.160 1.090 11.658 1.00 0.00 H new HETATM 0 H2'1 TPN B 6 -3.394 2.221 11.140 1.00 0.00 H new HETATM 0 H1'2 TPN B 6 -4.086 -0.033 10.829 1.00 0.00 H new HETATM 0 HN3 TPN B 6 0.649 1.056 3.173 1.00 0.00 H new HETATM 0 H6 TPN B 6 -2.242 -1.450 6.147 1.00 0.00 H new HETATM 440 C8' GPN B 7 2.995 1.955 6.558 1.00 0.00 C HETATM 441 C7' GPN B 7 4.148 1.990 7.588 1.00 0.00 C HETATM 442 O7' GPN B 7 4.898 1.009 7.680 1.00 0.00 O HETATM 443 C5' GPN B 7 5.493 3.153 9.302 1.00 0.00 C HETATM 444 C' GPN B 7 6.641 4.081 8.871 1.00 0.00 C HETATM 445 O1' GPN B 7 7.540 4.325 9.682 1.00 0.00 O HETATM 446 N4' GPN B 7 4.340 3.081 8.371 1.00 0.00 N HETATM 447 C3' GPN B 7 3.428 4.231 8.426 1.00 0.00 C HETATM 448 C2' GPN B 7 2.533 4.194 9.670 1.00 0.00 C HETATM 449 N1' GPN B 7 1.581 3.064 9.676 1.00 0.00 N HETATM 450 N9 GPN B 7 3.266 0.992 5.464 1.00 0.00 N HETATM 451 C8 GPN B 7 2.835 -0.307 5.324 1.00 0.00 C HETATM 452 N7 GPN B 7 3.344 -0.927 4.292 1.00 0.00 N HETATM 453 C5 GPN B 7 4.164 0.038 3.691 1.00 0.00 C HETATM 454 C6 GPN B 7 5.018 -0.020 2.531 1.00 0.00 C HETATM 455 O6 GPN B 7 5.253 -0.971 1.779 1.00 0.00 O HETATM 456 N1 GPN B 7 5.646 1.187 2.255 1.00 0.00 N HETATM 457 C2 GPN B 7 5.488 2.327 2.993 1.00 0.00 C HETATM 458 N2 GPN B 7 6.113 3.425 2.625 1.00 0.00 N HETATM 459 N3 GPN B 7 4.739 2.403 4.095 1.00 0.00 N HETATM 460 C4 GPN B 7 4.095 1.227 4.391 1.00 0.00 C HETATM 0 HN22 GPN B 7 6.002 4.281 3.168 1.00 0.00 H new HETATM 0 HN21 GPN B 7 6.708 3.420 1.797 1.00 0.00 H new HETATM 0 H8'2 GPN B 7 2.067 1.683 7.060 1.00 0.00 H new HETATM 0 H8'1 GPN B 7 2.851 2.951 6.139 1.00 0.00 H new HETATM 0 H5'2 GPN B 7 5.893 2.148 9.434 1.00 0.00 H new HETATM 0 H5'1 GPN B 7 5.130 3.482 10.276 1.00 0.00 H new HETATM 0 H3'2 GPN B 7 4.008 5.154 8.424 1.00 0.00 H new HETATM 0 H3'1 GPN B 7 2.805 4.243 7.531 1.00 0.00 H new HETATM 0 H2'2 GPN B 7 3.161 4.134 10.559 1.00 0.00 H new HETATM 0 H2'1 GPN B 7 1.976 5.129 9.735 1.00 0.00 H new HETATM 0 H1'3 GPN B 7 1.018 3.097 10.526 1.00 0.00 H new HETATM 0 HN1 GPN B 7 6.267 1.226 1.447 1.00 0.00 H new HETATM 0 H8 GPN B 7 2.132 -0.777 6.012 1.00 0.00 H new HETATM 474 C8' CPN B 8 7.841 2.228 5.624 1.00 0.00 C HETATM 475 C7' CPN B 8 9.050 2.684 6.468 1.00 0.00 C HETATM 476 O7' CPN B 8 9.752 1.823 7.007 1.00 0.00 O HETATM 477 C5' CPN B 8 10.493 4.442 7.420 1.00 0.00 C HETATM 478 C' CPN B 8 11.881 4.085 6.862 1.00 0.00 C HETATM 479 O1' CPN B 8 12.870 4.248 7.587 1.00 0.00 O HETATM 480 N4' CPN B 8 9.337 4.003 6.606 1.00 0.00 N HETATM 481 C3' CPN B 8 8.531 5.101 6.066 1.00 0.00 C HETATM 482 C2' CPN B 8 7.554 5.636 7.118 1.00 0.00 C HETATM 483 N1' CPN B 8 6.616 4.614 7.631 1.00 0.00 N HETATM 484 N1 CPN B 8 8.060 0.931 4.932 1.00 0.00 N HETATM 485 C2 CPN B 8 8.985 0.879 3.888 1.00 0.00 C HETATM 486 N3 CPN B 8 9.146 -0.258 3.179 1.00 0.00 N HETATM 487 C4 CPN B 8 8.409 -1.311 3.489 1.00 0.00 C HETATM 488 C5 CPN B 8 7.451 -1.313 4.544 1.00 0.00 C HETATM 489 C6 CPN B 8 7.300 -0.166 5.249 1.00 0.00 C HETATM 490 O2 CPN B 8 9.657 1.860 3.560 1.00 0.00 O HETATM 491 N4 CPN B 8 8.602 -2.377 2.757 1.00 0.00 N HETATM 0 HN42 CPN B 8 8.067 -3.226 2.941 1.00 0.00 H new HETATM 0 HN41 CPN B 8 9.288 -2.360 2.002 1.00 0.00 H new HETATM 0 H8'2 CPN B 8 6.967 2.144 6.270 1.00 0.00 H new HETATM 0 H8'1 CPN B 8 7.616 2.994 4.882 1.00 0.00 H new HETATM 0 H5'2 CPN B 8 10.399 4.006 8.414 1.00 0.00 H new HETATM 0 H5'1 CPN B 8 10.438 5.524 7.540 1.00 0.00 H new HETATM 0 H3'2 CPN B 8 9.185 5.906 5.730 1.00 0.00 H new HETATM 0 H3'1 CPN B 8 7.977 4.755 5.193 1.00 0.00 H new HETATM 0 H2'2 CPN B 8 8.122 6.047 7.953 1.00 0.00 H new HETATM 0 H2'1 CPN B 8 6.982 6.457 6.686 1.00 0.00 H new HETATM 0 H1'3 CPN B 8 6.173 4.956 8.484 1.00 0.00 H new HETATM 0 H6 CPN B 8 6.578 -0.115 6.064 1.00 0.00 H new HETATM 0 H5 CPN B 8 6.863 -2.202 4.774 1.00 0.00 H new HETATM 505 C8' CPN B 9 13.936 0.284 2.748 1.00 0.00 C HETATM 506 C7' CPN B 9 15.010 0.475 3.841 1.00 0.00 C HETATM 507 O7' CPN B 9 16.159 0.059 3.645 1.00 0.00 O HETATM 508 C5' CPN B 9 15.667 1.231 6.086 1.00 0.00 C HETATM 509 C' CPN B 9 15.812 -0.038 6.939 1.00 0.00 C HETATM 510 O1' CPN B 9 15.075 -1.015 6.774 1.00 0.00 O HETATM 511 N4' CPN B 9 14.679 1.092 4.998 1.00 0.00 N HETATM 512 C3' CPN B 9 13.337 1.560 5.339 1.00 0.00 C HETATM 513 C2' CPN B 9 13.201 3.046 5.001 1.00 0.00 C HETATM 514 N1' CPN B 9 11.972 3.579 5.615 1.00 0.00 N HETATM 515 N1 CPN B 9 14.377 -0.609 1.639 1.00 0.00 N HETATM 516 C2 CPN B 9 15.186 -0.081 0.629 1.00 0.00 C HETATM 517 N3 CPN B 9 15.626 -0.874 -0.377 1.00 0.00 N HETATM 518 C4 CPN B 9 15.278 -2.147 -0.378 1.00 0.00 C HETATM 519 C5 CPN B 9 14.468 -2.741 0.632 1.00 0.00 C HETATM 520 C6 CPN B 9 14.030 -1.938 1.631 1.00 0.00 C HETATM 521 O2 CPN B 9 15.538 1.101 0.614 1.00 0.00 O HETATM 522 N4 CPN B 9 15.751 -2.862 -1.368 1.00 0.00 N HETATM 0 HN42 CPN B 9 15.524 -3.854 -1.434 1.00 0.00 H new HETATM 0 HN41 CPN B 9 16.346 -2.427 -2.073 1.00 0.00 H new HETATM 0 H8'2 CPN B 9 13.035 -0.129 3.202 1.00 0.00 H new HETATM 0 H8'1 CPN B 9 13.668 1.257 2.337 1.00 0.00 H new HETATM 0 H5'2 CPN B 9 15.375 2.061 6.729 1.00 0.00 H new HETATM 0 H5'1 CPN B 9 16.636 1.485 5.657 1.00 0.00 H new HETATM 0 H3'2 CPN B 9 12.592 0.984 4.791 1.00 0.00 H new HETATM 0 H3'1 CPN B 9 13.146 1.401 6.400 1.00 0.00 H new HETATM 0 H2'2 CPN B 9 14.070 3.594 5.366 1.00 0.00 H new HETATM 0 H2'1 CPN B 9 13.169 3.183 3.920 1.00 0.00 H new HETATM 0 H1'3 CPN B 9 11.881 4.570 5.390 1.00 0.00 H new HETATM 0 H6 CPN B 9 13.405 -2.345 2.426 1.00 0.00 H new HETATM 0 H5 CPN B 9 14.211 -3.800 0.602 1.00 0.00 H new TER 536 CPN B 9 HETATM 537 N NME A 10 -17.861 1.085 -0.772 1.00 0.00 N HETATM 538 C NME A 10 -18.706 0.011 -1.298 1.00 0.00 C HETATM 543 N NME B 10 16.774 -0.018 7.871 1.00 0.00 N HETATM 544 C NME B 10 17.080 -1.129 8.771 1.00 0.00 C