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 GPNH1'2 : 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 8 CPN C' :...(NH2R) USER MOD NoAdj-H: A 9 CPNH1'1 : A 9 CPN N1' : A 8 CPN C' :...(NH2R) USER MOD NoAdj-H: B 2 GPNH1'2 : B 2 GPN N1' : B 2 GPN C2' :...(NH2R) USER MOD NoAdj-H: B 2 GPNH1'1 : B 2 GPN N1' : B 2 GPN C2' :...(NH2R) USER MOD NoAdj-H: B 3 GPNH1'2 : B 3 GPN N1' : B 3 GPN C2' :...(NH2R) USER MOD NoAdj-H: B 3 GPNH1'1 : B 3 GPN N1' : B 3 GPN C2' :...(NH2R) USER MOD NoAdj-H: B 4 CPNH1'2 : B 4 CPN N1' : B 4 CPN C2' :...(NH2R) USER MOD NoAdj-H: B 4 CPNH1'1 : B 4 CPN N1' : B 4 CPN C2' :...(NH2R) USER MOD NoAdj-H: B 5 APNH1'2 : 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 (180deg=0) USER MOD Single : A 3 GPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 CPN N1' :NH3+ 180:sc= -0.246 (180deg=-0.246) USER MOD Single : A 5 APN N1' :NH3+ 166:sc= 0 (180deg=-0.3) 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 (180deg=-0.0747) 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= -0.104 (180deg=-0.104) USER MOD Single : B 4 CPN N1' :NH3+ 180:sc= -0.466 (180deg=-0.466) USER MOD Single : B 5 APN N1' :NH3+ 176:sc= -0.014 (180deg=-0.0335) USER MOD Single : B 6 TPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 GPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 CPN N1' :NH3+ 173:sc= 0 (180deg=-0.0487) USER MOD Single : B 9 CPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 21.964 4.763 -5.072 1.00 0.00 C HETATM 2 O ACE A 1 22.957 4.500 -4.391 1.00 0.00 O HETATM 3 CH3 ACE A 1 22.152 5.500 -6.388 1.00 0.00 C HETATM 0 H1 ACE A 1 21.774 4.886 -7.206 1.00 0.00 H new HETATM 0 H2 ACE A 1 21.605 6.442 -6.359 1.00 0.00 H new HETATM 0 H3 ACE A 1 23.212 5.700 -6.545 1.00 0.00 H new HETATM 7 C8' GPN A 2 18.417 1.449 -5.486 1.00 0.00 C HETATM 8 C7' GPN A 2 17.441 2.329 -6.302 1.00 0.00 C HETATM 9 O7' GPN A 2 16.277 1.956 -6.496 1.00 0.00 O HETATM 10 C5' GPN A 2 17.034 4.315 -7.713 1.00 0.00 C HETATM 11 C' GPN A 2 16.073 5.294 -7.025 1.00 0.00 C HETATM 12 O1' GPN A 2 15.333 5.995 -7.724 1.00 0.00 O HETATM 13 N4' GPN A 2 17.882 3.507 -6.805 1.00 0.00 N HETATM 14 C3' GPN A 2 19.265 3.951 -6.648 1.00 0.00 C HETATM 15 C2' GPN A 2 19.432 4.703 -5.323 1.00 0.00 C HETATM 16 N1' GPN A 2 20.730 4.394 -4.685 1.00 0.00 N HETATM 17 N9 GPN A 2 17.755 0.284 -4.853 1.00 0.00 N HETATM 18 C8 GPN A 2 17.638 -0.987 -5.360 1.00 0.00 C HETATM 19 N7 GPN A 2 16.979 -1.809 -4.590 1.00 0.00 N HETATM 20 C5 GPN A 2 16.634 -1.024 -3.482 1.00 0.00 C HETATM 21 C6 GPN A 2 15.902 -1.347 -2.285 1.00 0.00 C HETATM 22 O6 GPN A 2 15.406 -2.424 -1.947 1.00 0.00 O HETATM 23 N1 GPN A 2 15.761 -0.276 -1.418 1.00 0.00 N HETATM 24 C2 GPN A 2 16.282 0.972 -1.639 1.00 0.00 C HETATM 25 N2 GPN A 2 16.068 1.913 -0.738 1.00 0.00 N HETATM 26 N3 GPN A 2 16.990 1.301 -2.733 1.00 0.00 N HETATM 27 C4 GPN A 2 17.121 0.262 -3.626 1.00 0.00 C HETATM 0 HN22 GPN A 2 16.445 2.850 -0.880 1.00 0.00 H new HETATM 0 HN21 GPN A 2 15.525 1.703 0.100 1.00 0.00 H new HETATM 0 H8'2 GPN A 2 19.213 1.096 -6.141 1.00 0.00 H new HETATM 0 H8'1 GPN A 2 18.886 2.057 -4.713 1.00 0.00 H new HETATM 0 H5'2 GPN A 2 16.450 3.637 -8.335 1.00 0.00 H new HETATM 0 H5'1 GPN A 2 17.684 4.880 -8.381 1.00 0.00 H new HETATM 0 H3'2 GPN A 2 19.936 3.092 -6.674 1.00 0.00 H new HETATM 0 H3'1 GPN A 2 19.544 4.598 -7.480 1.00 0.00 H new HETATM 0 H2'2 GPN A 2 19.359 5.776 -5.501 1.00 0.00 H new HETATM 0 H2'1 GPN A 2 18.620 4.436 -4.647 1.00 0.00 H new HETATM 0 H1'3 GPN A 2 20.809 4.909 -3.808 1.00 0.00 H new HETATM 0 HN1 GPN A 2 15.234 -0.426 -0.558 1.00 0.00 H new HETATM 0 H8 GPN A 2 18.059 -1.283 -6.321 1.00 0.00 H new HETATM 41 C8' GPN A 3 13.902 2.515 -3.637 1.00 0.00 C HETATM 42 C7' GPN A 3 13.013 3.413 -4.525 1.00 0.00 C HETATM 43 O7' GPN A 3 12.074 2.883 -5.134 1.00 0.00 O HETATM 44 C5' GPN A 3 12.456 5.561 -5.602 1.00 0.00 C HETATM 45 C' GPN A 3 11.728 6.783 -5.023 1.00 0.00 C HETATM 46 O1' GPN A 3 11.421 7.710 -5.781 1.00 0.00 O HETATM 47 N4' GPN A 3 13.257 4.748 -4.644 1.00 0.00 N HETATM 48 C3' GPN A 3 14.337 5.450 -3.918 1.00 0.00 C HETATM 49 C2' GPN A 3 15.271 6.245 -4.833 1.00 0.00 C HETATM 50 N1' GPN A 3 16.086 5.358 -5.682 1.00 0.00 N HETATM 51 N9 GPN A 3 13.170 1.345 -3.099 1.00 0.00 N HETATM 52 C8 GPN A 3 12.995 0.106 -3.666 1.00 0.00 C HETATM 53 N7 GPN A 3 12.307 -0.725 -2.930 1.00 0.00 N HETATM 54 C5 GPN A 3 11.997 0.021 -1.784 1.00 0.00 C HETATM 55 C6 GPN A 3 11.246 -0.311 -0.600 1.00 0.00 C HETATM 56 O6 GPN A 3 10.692 -1.372 -0.300 1.00 0.00 O HETATM 57 N1 GPN A 3 11.148 0.741 0.298 1.00 0.00 N HETATM 58 C2 GPN A 3 11.713 1.974 0.107 1.00 0.00 C HETATM 59 N2 GPN A 3 11.522 2.919 1.004 1.00 0.00 N HETATM 60 N3 GPN A 3 12.429 2.309 -0.967 1.00 0.00 N HETATM 61 C4 GPN A 3 12.529 1.293 -1.883 1.00 0.00 C HETATM 0 HN22 GPN A 3 11.939 3.840 0.871 1.00 0.00 H new HETATM 0 HN21 GPN A 3 10.957 2.730 1.832 1.00 0.00 H new HETATM 0 H8'2 GPN A 3 14.757 2.169 -4.217 1.00 0.00 H new HETATM 0 H8'1 GPN A 3 14.296 3.105 -2.809 1.00 0.00 H new HETATM 0 H5'2 GPN A 3 11.714 4.910 -6.065 1.00 0.00 H new HETATM 0 H5'1 GPN A 3 13.119 5.904 -6.396 1.00 0.00 H new HETATM 0 H3'2 GPN A 3 13.893 6.127 -3.188 1.00 0.00 H new HETATM 0 H3'1 GPN A 3 14.923 4.720 -3.360 1.00 0.00 H new HETATM 0 H2'2 GPN A 3 14.683 6.912 -5.463 1.00 0.00 H new HETATM 0 H2'1 GPN A 3 15.926 6.873 -4.228 1.00 0.00 H new HETATM 0 H1'3 GPN A 3 16.694 5.921 -6.277 1.00 0.00 H new HETATM 0 HN1 GPN A 3 10.621 0.586 1.157 1.00 0.00 H new HETATM 0 H8 GPN A 3 13.395 -0.160 -4.644 1.00 0.00 H new HETATM 75 C8' CPN A 4 9.527 4.598 -1.710 1.00 0.00 C HETATM 76 C7' CPN A 4 8.521 5.558 -2.389 1.00 0.00 C HETATM 77 O7' CPN A 4 7.509 5.081 -2.909 1.00 0.00 O HETATM 78 C5' CPN A 4 7.790 7.811 -3.079 1.00 0.00 C HETATM 79 C' CPN A 4 6.956 8.730 -2.172 1.00 0.00 C HETATM 80 O1' CPN A 4 6.297 9.635 -2.694 1.00 0.00 O HETATM 81 N4' CPN A 4 8.743 6.897 -2.396 1.00 0.00 N HETATM 82 C3' CPN A 4 9.947 7.535 -1.847 1.00 0.00 C HETATM 83 C2' CPN A 4 10.918 7.950 -2.958 1.00 0.00 C HETATM 84 N1' CPN A 4 11.465 6.801 -3.703 1.00 0.00 N HETATM 85 N1 CPN A 4 9.016 3.198 -1.603 1.00 0.00 N HETATM 86 C2 CPN A 4 8.256 2.844 -0.489 1.00 0.00 C HETATM 87 N3 CPN A 4 7.775 1.591 -0.358 1.00 0.00 N HETATM 88 C4 CPN A 4 8.006 0.716 -1.320 1.00 0.00 C HETATM 89 C5 CPN A 4 8.768 1.022 -2.484 1.00 0.00 C HETATM 90 C6 CPN A 4 9.266 2.278 -2.593 1.00 0.00 C HETATM 91 O2 CPN A 4 7.998 3.648 0.408 1.00 0.00 O HETATM 92 N4 CPN A 4 7.486 -0.474 -1.155 1.00 0.00 N HETATM 0 HN42 CPN A 4 7.628 -1.195 -1.862 1.00 0.00 H new HETATM 0 HN41 CPN A 4 6.939 -0.680 -0.319 1.00 0.00 H new HETATM 0 H8'2 CPN A 4 10.458 4.597 -2.276 1.00 0.00 H new HETATM 0 H8'1 CPN A 4 9.761 4.971 -0.713 1.00 0.00 H new HETATM 0 H5'2 CPN A 4 7.106 7.208 -3.676 1.00 0.00 H new HETATM 0 H5'1 CPN A 4 8.353 8.435 -3.773 1.00 0.00 H new HETATM 0 H3'2 CPN A 4 9.662 8.411 -1.265 1.00 0.00 H new HETATM 0 H3'1 CPN A 4 10.446 6.847 -1.164 1.00 0.00 H new HETATM 0 H2'2 CPN A 4 10.404 8.615 -3.652 1.00 0.00 H new HETATM 0 H2'1 CPN A 4 11.740 8.518 -2.522 1.00 0.00 H new HETATM 0 H1'3 CPN A 4 12.102 7.136 -4.426 1.00 0.00 H new HETATM 0 H6 CPN A 4 9.862 2.557 -3.462 1.00 0.00 H new HETATM 0 H5 CPN A 4 8.944 0.275 -3.258 1.00 0.00 H new HETATM 106 C8' APN A 5 4.911 5.943 0.250 1.00 0.00 C HETATM 107 C7' APN A 5 4.013 7.024 -0.395 1.00 0.00 C HETATM 108 O7' APN A 5 3.183 6.689 -1.246 1.00 0.00 O HETATM 109 C5' APN A 5 3.363 9.372 -0.727 1.00 0.00 C HETATM 110 C' APN A 5 2.012 9.759 -0.101 1.00 0.00 C HETATM 111 O1' APN A 5 1.123 10.195 -0.839 1.00 0.00 O HETATM 112 N4' APN A 5 4.153 8.325 -0.036 1.00 0.00 N HETATM 113 C3' APN A 5 5.178 8.802 0.902 1.00 0.00 C HETATM 114 C2' APN A 5 6.378 9.421 0.174 1.00 0.00 C HETATM 115 N1' APN A 5 6.990 8.532 -0.837 1.00 0.00 N HETATM 116 N9 APN A 5 4.499 4.555 -0.070 1.00 0.00 N HETATM 117 C8 APN A 5 5.010 3.699 -1.012 1.00 0.00 C HETATM 118 N7 APN A 5 4.508 2.492 -0.969 1.00 0.00 N HETATM 119 C5 APN A 5 3.558 2.575 0.058 1.00 0.00 C HETATM 120 C6 APN A 5 2.627 1.676 0.640 1.00 0.00 C HETATM 121 N6 APN A 5 2.470 0.411 0.298 1.00 0.00 N HETATM 122 N1 APN A 5 1.782 2.090 1.590 1.00 0.00 N HETATM 123 C2 APN A 5 1.863 3.358 1.975 1.00 0.00 C HETATM 124 N3 APN A 5 2.696 4.303 1.552 1.00 0.00 N HETATM 125 C4 APN A 5 3.528 3.840 0.583 1.00 0.00 C HETATM 0 HN62 APN A 5 1.773 -0.163 0.773 1.00 0.00 H new HETATM 0 HN61 APN A 5 3.046 0.007 -0.441 1.00 0.00 H new HETATM 0 H8'2 APN A 5 5.939 6.093 -0.081 1.00 0.00 H new HETATM 0 H8'1 APN A 5 4.902 6.075 1.332 1.00 0.00 H new HETATM 0 H5'2 APN A 5 3.179 9.038 -1.748 1.00 0.00 H new HETATM 0 H5'1 APN A 5 3.976 10.271 -0.791 1.00 0.00 H new HETATM 0 H3'2 APN A 5 4.740 9.541 1.573 1.00 0.00 H new HETATM 0 H3'1 APN A 5 5.518 7.972 1.521 1.00 0.00 H new HETATM 0 H2'2 APN A 5 6.059 10.343 -0.313 1.00 0.00 H new HETATM 0 H2'1 APN A 5 7.135 9.694 0.909 1.00 0.00 H new HETATM 0 H1'3 APN A 5 7.615 9.074 -1.433 1.00 0.00 H new HETATM 0 H8 APN A 5 5.769 3.999 -1.734 1.00 0.00 H new HETATM 0 H2 APN A 5 1.151 3.665 2.741 1.00 0.00 H new HETATM 139 C8' TPN A 6 -0.160 6.706 1.278 1.00 0.00 C HETATM 140 C7' TPN A 6 -1.193 7.745 0.805 1.00 0.00 C HETATM 141 O7' TPN A 6 -1.999 7.442 -0.082 1.00 0.00 O HETATM 142 C5' TPN A 6 -2.207 9.974 0.923 1.00 0.00 C HETATM 143 C' TPN A 6 -3.607 9.873 1.550 1.00 0.00 C HETATM 144 O1' TPN A 6 -4.512 10.583 1.099 1.00 0.00 O HETATM 145 N4' TPN A 6 -1.224 8.967 1.384 1.00 0.00 N HETATM 146 C3' TPN A 6 -0.348 9.385 2.484 1.00 0.00 C HETATM 147 C2' TPN A 6 0.781 10.308 2.013 1.00 0.00 C HETATM 148 N1' TPN A 6 1.847 9.638 1.232 1.00 0.00 N HETATM 149 N1 TPN A 6 -0.351 5.382 0.630 1.00 0.00 N HETATM 150 C6 TPN A 6 0.315 5.089 -0.541 1.00 0.00 C HETATM 151 C2 TPN A 6 -1.132 4.422 1.288 1.00 0.00 C HETATM 152 O2 TPN A 6 -1.710 4.625 2.353 1.00 0.00 O HETATM 153 N3 TPN A 6 -1.199 3.182 0.702 1.00 0.00 N HETATM 154 C4 TPN A 6 -0.570 2.801 -0.461 1.00 0.00 C HETATM 155 O4 TPN A 6 -0.716 1.647 -0.865 1.00 0.00 O HETATM 156 C5 TPN A 6 0.244 3.845 -1.081 1.00 0.00 C HETATM 157 C5M TPN A 6 1.079 3.506 -2.292 1.00 0.00 C HETATM 0 HM53 TPN A 6 0.812 4.169 -3.115 1.00 0.00 H new HETATM 0 HM52 TPN A 6 2.135 3.632 -2.053 1.00 0.00 H new HETATM 0 HM51 TPN A 6 0.894 2.472 -2.584 1.00 0.00 H new HETATM 0 H8'2 TPN A 6 0.844 7.072 1.062 1.00 0.00 H new HETATM 0 H8'1 TPN A 6 -0.232 6.592 2.360 1.00 0.00 H new HETATM 0 H5'2 TPN A 6 -2.306 9.889 -0.159 1.00 0.00 H new HETATM 0 H5'1 TPN A 6 -1.807 10.967 1.130 1.00 0.00 H new HETATM 0 H3'2 TPN A 6 -0.940 9.898 3.242 1.00 0.00 H new HETATM 0 H3'1 TPN A 6 0.082 8.503 2.958 1.00 0.00 H new HETATM 0 H2'2 TPN A 6 0.351 11.104 1.405 1.00 0.00 H new HETATM 0 H2'1 TPN A 6 1.232 10.781 2.885 1.00 0.00 H new HETATM 0 H1'3 TPN A 6 2.552 10.323 0.961 1.00 0.00 H new HETATM 0 HN3 TPN A 6 -1.768 2.478 1.172 1.00 0.00 H new HETATM 0 H6 TPN A 6 0.903 5.861 -1.037 1.00 0.00 H new HETATM 172 C8' GPN A 7 -4.657 5.631 1.488 1.00 0.00 C HETATM 173 C7' GPN A 7 -5.888 6.514 1.185 1.00 0.00 C HETATM 174 O7' GPN A 7 -6.441 6.414 0.083 1.00 0.00 O HETATM 175 C5' GPN A 7 -7.583 8.179 1.844 1.00 0.00 C HETATM 176 C' GPN A 7 -8.881 7.683 2.504 1.00 0.00 C HETATM 177 O1' GPN A 7 -9.910 8.348 2.349 1.00 0.00 O HETATM 178 N4' GPN A 7 -6.362 7.380 2.117 1.00 0.00 N HETATM 179 C3' GPN A 7 -5.721 7.632 3.415 1.00 0.00 C HETATM 180 C2' GPN A 7 -4.990 8.981 3.451 1.00 0.00 C HETATM 181 N1' GPN A 7 -3.792 9.032 2.590 1.00 0.00 N HETATM 182 N9 GPN A 7 -4.589 4.452 0.587 1.00 0.00 N HETATM 183 C8 GPN A 7 -3.958 4.328 -0.628 1.00 0.00 C HETATM 184 N7 GPN A 7 -4.156 3.180 -1.218 1.00 0.00 N HETATM 185 C5 GPN A 7 -4.980 2.482 -0.325 1.00 0.00 C HETATM 186 C6 GPN A 7 -5.581 1.172 -0.400 1.00 0.00 C HETATM 187 O6 GPN A 7 -5.516 0.332 -1.303 1.00 0.00 O HETATM 188 N1 GPN A 7 -6.336 0.853 0.719 1.00 0.00 N HETATM 189 C2 GPN A 7 -6.513 1.680 1.794 1.00 0.00 C HETATM 190 N2 GPN A 7 -7.255 1.278 2.804 1.00 0.00 N HETATM 191 N3 GPN A 7 -5.996 2.908 1.881 1.00 0.00 N HETATM 192 C4 GPN A 7 -5.233 3.252 0.795 1.00 0.00 C HETATM 0 HN22 GPN A 7 -7.393 1.888 3.610 1.00 0.00 H new HETATM 0 HN21 GPN A 7 -7.692 0.357 2.781 1.00 0.00 H new HETATM 0 H8'2 GPN A 7 -3.749 6.224 1.380 1.00 0.00 H new HETATM 0 H8'1 GPN A 7 -4.697 5.295 2.524 1.00 0.00 H new HETATM 0 H5'2 GPN A 7 -7.738 8.211 0.765 1.00 0.00 H new HETATM 0 H5'1 GPN A 7 -7.402 9.203 2.170 1.00 0.00 H new HETATM 0 H3'2 GPN A 7 -6.476 7.609 4.201 1.00 0.00 H new HETATM 0 H3'1 GPN A 7 -5.013 6.832 3.630 1.00 0.00 H new HETATM 0 H2'2 GPN A 7 -5.681 9.766 3.144 1.00 0.00 H new HETATM 0 H2'1 GPN A 7 -4.697 9.198 4.478 1.00 0.00 H new HETATM 0 H1'3 GPN A 7 -3.359 9.953 2.663 1.00 0.00 H new HETATM 0 HN1 GPN A 7 -6.790 -0.060 0.742 1.00 0.00 H new HETATM 0 H8 GPN A 7 -3.346 5.119 -1.061 1.00 0.00 H new HETATM 206 C8' CPN A 8 -9.295 3.813 1.116 1.00 0.00 C HETATM 207 C7' CPN A 8 -10.665 4.524 1.113 1.00 0.00 C HETATM 208 O7' CPN A 8 -11.257 4.679 0.040 1.00 0.00 O HETATM 209 C5' CPN A 8 -12.503 5.683 2.255 1.00 0.00 C HETATM 210 C' CPN A 8 -13.770 4.814 2.297 1.00 0.00 C HETATM 211 O1' CPN A 8 -14.868 5.367 2.171 1.00 0.00 O HETATM 212 N4' CPN A 8 -11.213 4.954 2.275 1.00 0.00 N HETATM 213 C3' CPN A 8 -10.610 4.784 3.602 1.00 0.00 C HETATM 214 C2' CPN A 8 -9.950 6.073 4.107 1.00 0.00 C HETATM 215 N1' CPN A 8 -8.850 6.559 3.248 1.00 0.00 N HETATM 216 N1 CPN A 8 -9.044 3.041 -0.133 1.00 0.00 N HETATM 217 C2 CPN A 8 -9.703 1.825 -0.302 1.00 0.00 C HETATM 218 N3 CPN A 8 -9.499 1.090 -1.414 1.00 0.00 N HETATM 219 C4 CPN A 8 -8.668 1.542 -2.334 1.00 0.00 C HETATM 220 C5 CPN A 8 -7.974 2.782 -2.219 1.00 0.00 C HETATM 221 C6 CPN A 8 -8.187 3.511 -1.097 1.00 0.00 C HETATM 222 O2 CPN A 8 -10.475 1.374 0.546 1.00 0.00 O HETATM 223 N4 CPN A 8 -8.519 0.781 -3.387 1.00 0.00 N HETATM 0 HN42 CPN A 8 -7.892 1.068 -4.139 1.00 0.00 H new HETATM 0 HN41 CPN A 8 -9.030 -0.099 -3.457 1.00 0.00 H new HETATM 0 H8'2 CPN A 8 -8.506 4.554 1.245 1.00 0.00 H new HETATM 0 H8'1 CPN A 8 -9.242 3.139 1.971 1.00 0.00 H new HETATM 0 H5'2 CPN A 8 -12.537 6.296 1.354 1.00 0.00 H new HETATM 0 H5'1 CPN A 8 -12.526 6.364 3.106 1.00 0.00 H new HETATM 0 H3'2 CPN A 8 -11.376 4.469 4.310 1.00 0.00 H new HETATM 0 H3'1 CPN A 8 -9.866 3.988 3.562 1.00 0.00 H new HETATM 0 H2'2 CPN A 8 -10.709 6.852 4.184 1.00 0.00 H new HETATM 0 H2'1 CPN A 8 -9.565 5.903 5.112 1.00 0.00 H new HETATM 0 H1'3 CPN A 8 -8.550 7.480 3.568 1.00 0.00 H new HETATM 0 H6 CPN A 8 -7.680 4.466 -0.960 1.00 0.00 H new HETATM 0 H5 CPN A 8 -7.300 3.129 -3.002 1.00 0.00 H new HETATM 237 C8' CPN A 9 -13.545 1.951 -0.760 1.00 0.00 C HETATM 238 C7' CPN A 9 -14.985 2.494 -0.608 1.00 0.00 C HETATM 239 O7' CPN A 9 -15.495 3.036 -1.594 1.00 0.00 O HETATM 240 C5' CPN A 9 -17.004 3.012 0.708 1.00 0.00 C HETATM 241 C' CPN A 9 -18.201 2.087 0.449 1.00 0.00 C HETATM 242 O1' CPN A 9 -19.307 2.394 0.901 1.00 0.00 O HETATM 243 N4' CPN A 9 -15.672 2.380 0.556 1.00 0.00 N HETATM 244 C3' CPN A 9 -15.226 1.645 1.743 1.00 0.00 C HETATM 245 C2' CPN A 9 -14.756 2.578 2.870 1.00 0.00 C HETATM 246 N1' CPN A 9 -13.646 3.485 2.503 1.00 0.00 N HETATM 247 N1 CPN A 9 -13.365 1.144 -2.000 1.00 0.00 N HETATM 248 C2 CPN A 9 -14.029 -0.079 -2.115 1.00 0.00 C HETATM 249 N3 CPN A 9 -13.862 -0.843 -3.219 1.00 0.00 N HETATM 250 C4 CPN A 9 -13.072 -0.405 -4.183 1.00 0.00 C HETATM 251 C5 CPN A 9 -12.381 0.839 -4.123 1.00 0.00 C HETATM 252 C6 CPN A 9 -12.549 1.592 -3.010 1.00 0.00 C HETATM 253 O2 CPN A 9 -14.763 -0.510 -1.224 1.00 0.00 O HETATM 254 N4 CPN A 9 -12.954 -1.186 -5.225 1.00 0.00 N HETATM 0 HN42 CPN A 9 -12.359 -0.908 -6.006 1.00 0.00 H new HETATM 0 HN41 CPN A 9 -13.457 -2.073 -5.257 1.00 0.00 H new HETATM 0 H8'2 CPN A 9 -12.845 2.786 -0.770 1.00 0.00 H new HETATM 0 H8'1 CPN A 9 -13.298 1.338 0.107 1.00 0.00 H new HETATM 0 H5'2 CPN A 9 -17.066 3.859 0.025 1.00 0.00 H new HETATM 0 H5'1 CPN A 9 -17.086 3.411 1.719 1.00 0.00 H new HETATM 0 H3'2 CPN A 9 -16.042 1.022 2.108 1.00 0.00 H new HETATM 0 H3'1 CPN A 9 -14.412 0.975 1.467 1.00 0.00 H new HETATM 0 H2'2 CPN A 9 -15.603 3.179 3.202 1.00 0.00 H new HETATM 0 H2'1 CPN A 9 -14.444 1.970 3.719 1.00 0.00 H new HETATM 0 H1'3 CPN A 9 -13.400 4.064 3.306 1.00 0.00 H new HETATM 0 H6 CPN A 9 -12.038 2.550 -2.916 1.00 0.00 H new HETATM 0 H5 CPN A 9 -11.742 1.172 -4.941 1.00 0.00 H new TER 268 CPN A 9 HETATM 269 C ACE B 1 -21.215 -7.924 -1.444 1.00 0.00 C HETATM 270 O ACE B 1 -21.985 -6.968 -1.320 1.00 0.00 O HETATM 271 CH3 ACE B 1 -21.037 -8.530 -2.827 1.00 0.00 C HETATM 0 H1 ACE B 1 -19.991 -8.455 -3.125 1.00 0.00 H new HETATM 0 H2 ACE B 1 -21.334 -9.578 -2.806 1.00 0.00 H new HETATM 0 H3 ACE B 1 -21.658 -7.991 -3.543 1.00 0.00 H new HETATM 275 C8' GPN B 2 -17.384 -8.035 -2.275 1.00 0.00 C HETATM 276 C7' GPN B 2 -16.517 -8.937 -1.367 1.00 0.00 C HETATM 277 O7' GPN B 2 -15.369 -9.236 -1.721 1.00 0.00 O HETATM 278 C5' GPN B 2 -16.283 -10.377 0.632 1.00 0.00 C HETATM 279 C' GPN B 2 -15.550 -9.745 1.827 1.00 0.00 C HETATM 280 O1' GPN B 2 -14.940 -10.468 2.620 1.00 0.00 O HETATM 281 N4' GPN B 2 -17.034 -9.418 -0.210 1.00 0.00 N HETATM 282 C3' GPN B 2 -18.279 -8.912 0.375 1.00 0.00 C HETATM 283 C2' GPN B 2 -19.513 -9.469 -0.334 1.00 0.00 C HETATM 284 N1' GPN B 2 -20.558 -8.426 -0.384 1.00 0.00 N HETATM 285 N9 GPN B 2 -16.587 -7.224 -3.223 1.00 0.00 N HETATM 286 C8 GPN B 2 -16.177 -7.571 -4.488 1.00 0.00 C HETATM 287 N7 GPN B 2 -15.512 -6.633 -5.108 1.00 0.00 N HETATM 288 C5 GPN B 2 -15.480 -5.580 -4.185 1.00 0.00 C HETATM 289 C6 GPN B 2 -14.906 -4.261 -4.268 1.00 0.00 C HETATM 290 O6 GPN B 2 -14.300 -3.733 -5.205 1.00 0.00 O HETATM 291 N1 GPN B 2 -15.085 -3.511 -3.117 1.00 0.00 N HETATM 292 C2 GPN B 2 -15.757 -3.945 -2.005 1.00 0.00 C HETATM 293 N2 GPN B 2 -15.849 -3.140 -0.966 1.00 0.00 N HETATM 294 N3 GPN B 2 -16.326 -5.157 -1.905 1.00 0.00 N HETATM 295 C4 GPN B 2 -16.145 -5.934 -3.024 1.00 0.00 C HETATM 0 HN22 GPN B 2 -16.345 -3.444 -0.128 1.00 0.00 H new HETATM 0 HN21 GPN B 2 -15.424 -2.213 -1.000 1.00 0.00 H new HETATM 0 H8'2 GPN B 2 -18.081 -8.658 -2.836 1.00 0.00 H new HETATM 0 H8'1 GPN B 2 -17.982 -7.370 -1.651 1.00 0.00 H new HETATM 0 H5'2 GPN B 2 -15.554 -10.894 0.008 1.00 0.00 H new HETATM 0 H5'1 GPN B 2 -16.975 -11.132 1.005 1.00 0.00 H new HETATM 0 H3'2 GPN B 2 -18.317 -9.178 1.431 1.00 0.00 H new HETATM 0 H3'1 GPN B 2 -18.289 -7.823 0.319 1.00 0.00 H new HETATM 0 H2'2 GPN B 2 -19.254 -9.789 -1.343 1.00 0.00 H new HETATM 0 H2'1 GPN B 2 -19.884 -10.348 0.194 1.00 0.00 H new HETATM 0 H1'3 GPN B 2 -21.384 -8.794 -0.857 1.00 0.00 H new HETATM 0 HN1 GPN B 2 -14.689 -2.571 -3.096 1.00 0.00 H new HETATM 0 H8 GPN B 2 -16.388 -8.543 -4.934 1.00 0.00 H new HETATM 309 C8' GPN B 3 -13.397 -5.854 -0.317 1.00 0.00 C HETATM 310 C7' GPN B 3 -12.539 -6.717 0.633 1.00 0.00 C HETATM 311 O7' GPN B 3 -11.471 -7.170 0.201 1.00 0.00 O HETATM 312 C5' GPN B 3 -12.160 -7.934 2.746 1.00 0.00 C HETATM 313 C' GPN B 3 -11.840 -7.449 4.165 1.00 0.00 C HETATM 314 O1' GPN B 3 -11.733 -8.269 5.083 1.00 0.00 O HETATM 315 N4' GPN B 3 -12.948 -6.988 1.903 1.00 0.00 N HETATM 316 C3' GPN B 3 -14.201 -6.472 2.491 1.00 0.00 C HETATM 317 C2' GPN B 3 -15.088 -7.585 3.052 1.00 0.00 C HETATM 318 N1' GPN B 3 -15.626 -8.408 1.961 1.00 0.00 N HETATM 319 N9 GPN B 3 -12.574 -5.085 -1.278 1.00 0.00 N HETATM 320 C8 GPN B 3 -12.115 -5.466 -2.515 1.00 0.00 C HETATM 321 N7 GPN B 3 -11.406 -4.553 -3.126 1.00 0.00 N HETATM 322 C5 GPN B 3 -11.395 -3.481 -2.223 1.00 0.00 C HETATM 323 C6 GPN B 3 -10.774 -2.183 -2.291 1.00 0.00 C HETATM 324 O6 GPN B 3 -10.089 -1.689 -3.193 1.00 0.00 O HETATM 325 N1 GPN B 3 -10.990 -1.413 -1.157 1.00 0.00 N HETATM 326 C2 GPN B 3 -11.727 -1.820 -0.077 1.00 0.00 C HETATM 327 N2 GPN B 3 -11.848 -1.023 0.963 1.00 0.00 N HETATM 328 N3 GPN B 3 -12.326 -3.010 0.012 1.00 0.00 N HETATM 329 C4 GPN B 3 -12.117 -3.800 -1.089 1.00 0.00 C HETATM 0 HN22 GPN B 3 -12.395 -1.319 1.771 1.00 0.00 H new HETATM 0 HN21 GPN B 3 -11.395 -0.109 0.961 1.00 0.00 H new HETATM 0 H8'2 GPN B 3 -14.086 -6.497 -0.865 1.00 0.00 H new HETATM 0 H8'1 GPN B 3 -14.004 -5.165 0.271 1.00 0.00 H new HETATM 0 H5'2 GPN B 3 -11.222 -8.152 2.236 1.00 0.00 H new HETATM 0 H5'1 GPN B 3 -12.709 -8.873 2.818 1.00 0.00 H new HETATM 0 H3'2 GPN B 3 -13.961 -5.767 3.287 1.00 0.00 H new HETATM 0 H3'1 GPN B 3 -14.754 -5.919 1.732 1.00 0.00 H new HETATM 0 H2'2 GPN B 3 -14.512 -8.208 3.736 1.00 0.00 H new HETATM 0 H2'1 GPN B 3 -15.906 -7.152 3.627 1.00 0.00 H new HETATM 0 H1'3 GPN B 3 -16.215 -9.145 2.349 1.00 0.00 H new HETATM 0 HN1 GPN B 3 -10.572 -0.483 -1.126 1.00 0.00 H new HETATM 0 H8 GPN B 3 -12.323 -6.444 -2.949 1.00 0.00 H new HETATM 343 C8' CPN B 4 -9.786 -3.599 2.745 1.00 0.00 C HETATM 344 C7' CPN B 4 -8.897 -4.312 3.790 1.00 0.00 C HETATM 345 O7' CPN B 4 -7.765 -4.671 3.455 1.00 0.00 O HETATM 346 C5' CPN B 4 -8.512 -5.261 6.037 1.00 0.00 C HETATM 347 C' CPN B 4 -8.031 -4.440 7.241 1.00 0.00 C HETATM 348 O1' CPN B 4 -7.613 -5.033 8.241 1.00 0.00 O HETATM 349 N4' CPN B 4 -9.348 -4.525 5.052 1.00 0.00 N HETATM 350 C3' CPN B 4 -10.700 -4.178 5.516 1.00 0.00 C HETATM 351 C2' CPN B 4 -11.574 -5.428 5.634 1.00 0.00 C HETATM 352 N1' CPN B 4 -11.718 -6.121 4.344 1.00 0.00 N HETATM 353 N1 CPN B 4 -9.054 -3.262 1.486 1.00 0.00 N HETATM 354 C2 CPN B 4 -8.394 -2.037 1.399 1.00 0.00 C HETATM 355 N3 CPN B 4 -7.728 -1.696 0.277 1.00 0.00 N HETATM 356 C4 CPN B 4 -7.679 -2.559 -0.721 1.00 0.00 C HETATM 357 C5 CPN B 4 -8.321 -3.831 -0.684 1.00 0.00 C HETATM 358 C6 CPN B 4 -9.009 -4.150 0.438 1.00 0.00 C HETATM 359 O2 CPN B 4 -8.393 -1.227 2.328 1.00 0.00 O HETATM 360 N4 CPN B 4 -6.992 -2.188 -1.772 1.00 0.00 N HETATM 0 HN42 CPN B 4 -6.916 -2.810 -2.577 1.00 0.00 H new HETATM 0 HN41 CPN B 4 -6.533 -1.277 -1.786 1.00 0.00 H new HETATM 0 H8'2 CPN B 4 -10.636 -4.237 2.504 1.00 0.00 H new HETATM 0 H8'1 CPN B 4 -10.187 -2.684 3.181 1.00 0.00 H new HETATM 0 H5'2 CPN B 4 -7.639 -5.660 5.520 1.00 0.00 H new HETATM 0 H5'1 CPN B 4 -9.082 -6.114 6.406 1.00 0.00 H new HETATM 0 H3'2 CPN B 4 -10.640 -3.679 6.483 1.00 0.00 H new HETATM 0 H3'1 CPN B 4 -11.158 -3.474 4.821 1.00 0.00 H new HETATM 0 H2'2 CPN B 4 -11.137 -6.109 6.365 1.00 0.00 H new HETATM 0 H2'1 CPN B 4 -12.559 -5.148 6.008 1.00 0.00 H new HETATM 0 H1'3 CPN B 4 -12.305 -6.946 4.464 1.00 0.00 H new HETATM 0 H6 CPN B 4 -9.525 -5.107 0.510 1.00 0.00 H new HETATM 0 H5 CPN B 4 -8.261 -4.520 -1.526 1.00 0.00 H new HETATM 374 C8' APN B 5 -5.889 -1.456 5.034 1.00 0.00 C HETATM 375 C7' APN B 5 -5.062 -1.943 6.244 1.00 0.00 C HETATM 376 O7' APN B 5 -4.012 -2.563 6.049 1.00 0.00 O HETATM 377 C5' APN B 5 -4.617 -1.938 8.666 1.00 0.00 C HETATM 378 C' APN B 5 -3.851 -0.693 9.139 1.00 0.00 C HETATM 379 O1' APN B 5 -4.219 0.443 8.812 1.00 0.00 O HETATM 380 N4' APN B 5 -5.492 -1.677 7.502 1.00 0.00 N HETATM 381 C3' APN B 5 -6.790 -1.076 7.822 1.00 0.00 C HETATM 382 C2' APN B 5 -7.795 -2.149 8.249 1.00 0.00 C HETATM 383 N1' APN B 5 -8.110 -3.097 7.163 1.00 0.00 N HETATM 384 N9 APN B 5 -5.155 -1.533 3.748 1.00 0.00 N HETATM 385 C8 APN B 5 -5.304 -2.443 2.733 1.00 0.00 C HETATM 386 N7 APN B 5 -4.621 -2.163 1.655 1.00 0.00 N HETATM 387 C5 APN B 5 -3.918 -1.006 2.014 1.00 0.00 C HETATM 388 C6 APN B 5 -2.969 -0.171 1.369 1.00 0.00 C HETATM 389 N6 APN B 5 -2.540 -0.320 0.130 1.00 0.00 N HETATM 390 N1 APN B 5 -2.391 0.839 2.028 1.00 0.00 N HETATM 391 C2 APN B 5 -2.755 1.039 3.290 1.00 0.00 C HETATM 392 N3 APN B 5 -3.654 0.377 4.010 1.00 0.00 N HETATM 393 C4 APN B 5 -4.205 -0.646 3.306 1.00 0.00 C HETATM 0 HN62 APN B 5 -1.854 0.330 -0.254 1.00 0.00 H new HETATM 0 HN61 APN B 5 -2.895 -1.085 -0.444 1.00 0.00 H new HETATM 0 H8'2 APN B 5 -6.798 -2.053 4.961 1.00 0.00 H new HETATM 0 H8'1 APN B 5 -6.198 -0.425 5.206 1.00 0.00 H new HETATM 0 H5'2 APN B 5 -3.903 -2.720 8.407 1.00 0.00 H new HETATM 0 H5'1 APN B 5 -5.222 -2.319 9.489 1.00 0.00 H new HETATM 0 H3'2 APN B 5 -6.670 -0.345 8.621 1.00 0.00 H new HETATM 0 H3'1 APN B 5 -7.171 -0.539 6.953 1.00 0.00 H new HETATM 0 H2'2 APN B 5 -7.394 -2.698 9.101 1.00 0.00 H new HETATM 0 H2'1 APN B 5 -8.714 -1.668 8.584 1.00 0.00 H new HETATM 0 H1'3 APN B 5 -8.729 -3.827 7.517 1.00 0.00 H new HETATM 0 H8 APN B 5 -5.938 -3.325 2.818 1.00 0.00 H new HETATM 0 H2 APN B 5 -2.248 1.856 3.804 1.00 0.00 H new HETATM 407 C8' TPN B 6 -0.984 0.186 6.981 1.00 0.00 C HETATM 408 C7' TPN B 6 0.102 -0.215 8.000 1.00 0.00 C HETATM 409 O7' TPN B 6 1.075 -0.875 7.616 1.00 0.00 O HETATM 410 C5' TPN B 6 1.059 -0.191 10.264 1.00 0.00 C HETATM 411 C' TPN B 6 2.226 0.802 10.373 1.00 0.00 C HETATM 412 O1' TPN B 6 3.199 0.499 11.073 1.00 0.00 O HETATM 413 N4' TPN B 6 -0.001 0.174 9.294 1.00 0.00 N HETATM 414 C3' TPN B 6 -1.103 0.977 9.835 1.00 0.00 C HETATM 415 C2' TPN B 6 -2.066 0.139 10.687 1.00 0.00 C HETATM 416 N1' TPN B 6 -2.779 -0.905 9.924 1.00 0.00 N HETATM 417 N1 TPN B 6 -0.615 -0.187 5.586 1.00 0.00 N HETATM 418 C6 TPN B 6 -1.043 -1.385 5.049 1.00 0.00 C HETATM 419 C2 TPN B 6 0.153 0.713 4.838 1.00 0.00 C HETATM 420 O2 TPN B 6 0.509 1.814 5.251 1.00 0.00 O HETATM 421 N3 TPN B 6 0.486 0.324 3.562 1.00 0.00 N HETATM 422 C4 TPN B 6 0.137 -0.862 2.961 1.00 0.00 C HETATM 423 O4 TPN B 6 0.526 -1.083 1.813 1.00 0.00 O HETATM 424 C5 TPN B 6 -0.704 -1.733 3.779 1.00 0.00 C HETATM 425 C5M TPN B 6 -1.248 -3.007 3.178 1.00 0.00 C HETATM 0 HM53 TPN B 6 -0.929 -3.858 3.780 1.00 0.00 H new HETATM 0 HM52 TPN B 6 -2.337 -2.964 3.159 1.00 0.00 H new HETATM 0 HM51 TPN B 6 -0.871 -3.120 2.161 1.00 0.00 H new HETATM 0 H8'2 TPN B 6 -1.925 -0.296 7.247 1.00 0.00 H new HETATM 0 H8'1 TPN B 6 -1.151 1.262 7.035 1.00 0.00 H new HETATM 0 H5'2 TPN B 6 1.459 -1.167 9.988 1.00 0.00 H new HETATM 0 H5'1 TPN B 6 0.604 -0.300 11.249 1.00 0.00 H new HETATM 0 H3'2 TPN B 6 -0.697 1.788 10.440 1.00 0.00 H new HETATM 0 H3'1 TPN B 6 -1.653 1.437 9.014 1.00 0.00 H new HETATM 0 H2'2 TPN B 6 -1.506 -0.332 11.495 1.00 0.00 H new HETATM 0 H2'1 TPN B 6 -2.797 0.801 11.150 1.00 0.00 H new HETATM 0 H1'2 TPN B 6 -3.398 -1.421 10.549 1.00 0.00 H new HETATM 0 HN3 TPN B 6 1.044 0.976 3.010 1.00 0.00 H new HETATM 0 H6 TPN B 6 -1.658 -2.057 5.648 1.00 0.00 H new HETATM 440 C8' GPN B 7 3.490 1.434 6.433 1.00 0.00 C HETATM 441 C7' GPN B 7 4.657 1.286 7.436 1.00 0.00 C HETATM 442 O7' GPN B 7 5.403 0.303 7.342 1.00 0.00 O HETATM 443 C5' GPN B 7 5.985 2.064 9.365 1.00 0.00 C HETATM 444 C' GPN B 7 7.199 2.983 9.151 1.00 0.00 C HETATM 445 O1' GPN B 7 8.120 2.939 9.972 1.00 0.00 O HETATM 446 N4' GPN B 7 4.860 2.213 8.407 1.00 0.00 N HETATM 447 C3' GPN B 7 3.969 3.352 8.660 1.00 0.00 C HETATM 448 C2' GPN B 7 3.063 3.120 9.876 1.00 0.00 C HETATM 449 N1' GPN B 7 2.140 1.980 9.719 1.00 0.00 N HETATM 450 N9 GPN B 7 3.741 0.676 5.183 1.00 0.00 N HETATM 451 C8 GPN B 7 3.330 -0.590 4.836 1.00 0.00 C HETATM 452 N7 GPN B 7 3.807 -1.008 3.694 1.00 0.00 N HETATM 453 C5 GPN B 7 4.587 0.065 3.241 1.00 0.00 C HETATM 454 C6 GPN B 7 5.396 0.231 2.059 1.00 0.00 C HETATM 455 O6 GPN B 7 5.616 -0.566 1.141 1.00 0.00 O HETATM 456 N1 GPN B 7 5.999 1.478 1.980 1.00 0.00 N HETATM 457 C2 GPN B 7 5.857 2.465 2.917 1.00 0.00 C HETATM 458 N2 GPN B 7 6.463 3.619 2.738 1.00 0.00 N HETATM 459 N3 GPN B 7 5.146 2.331 4.039 1.00 0.00 N HETATM 460 C4 GPN B 7 4.527 1.111 4.142 1.00 0.00 C HETATM 0 HN22 GPN B 7 6.363 4.361 3.431 1.00 0.00 H new HETATM 0 HN21 GPN B 7 7.033 3.772 1.906 1.00 0.00 H new HETATM 0 H8'2 GPN B 7 2.567 1.081 6.894 1.00 0.00 H new HETATM 0 H8'1 GPN B 7 3.345 2.488 6.196 1.00 0.00 H new HETATM 0 H5'2 GPN B 7 6.329 1.031 9.328 1.00 0.00 H new HETATM 0 H5'1 GPN B 7 5.601 2.236 10.371 1.00 0.00 H new HETATM 0 H3'2 GPN B 7 4.566 4.250 8.820 1.00 0.00 H new HETATM 0 H3'1 GPN B 7 3.353 3.532 7.779 1.00 0.00 H new HETATM 0 H2'2 GPN B 7 3.685 2.954 10.755 1.00 0.00 H new HETATM 0 H2'1 GPN B 7 2.482 4.023 10.063 1.00 0.00 H new HETATM 0 H1'3 GPN B 7 1.571 1.884 10.560 1.00 0.00 H new HETATM 0 HN1 GPN B 7 6.587 1.672 1.170 1.00 0.00 H new HETATM 0 H8 GPN B 7 2.666 -1.190 5.458 1.00 0.00 H new HETATM 474 C8' CPN B 8 8.383 2.041 5.404 1.00 0.00 C HETATM 475 C7' CPN B 8 9.652 2.225 6.266 1.00 0.00 C HETATM 476 O7' CPN B 8 10.406 1.260 6.430 1.00 0.00 O HETATM 477 C5' CPN B 8 11.131 3.583 7.682 1.00 0.00 C HETATM 478 C' CPN B 8 12.444 3.936 6.962 1.00 0.00 C HETATM 479 O1' CPN B 8 13.487 3.965 7.623 1.00 0.00 O HETATM 480 N4' CPN B 8 9.937 3.429 6.818 1.00 0.00 N HETATM 481 C3' CPN B 8 9.125 4.641 6.659 1.00 0.00 C HETATM 482 C2' CPN B 8 8.211 4.888 7.864 1.00 0.00 C HETATM 483 N1' CPN B 8 7.213 3.821 8.093 1.00 0.00 N HETATM 484 N1 CPN B 8 8.475 0.872 4.486 1.00 0.00 N HETATM 485 C2 CPN B 8 9.304 0.969 3.371 1.00 0.00 C HETATM 486 N3 CPN B 8 9.409 -0.061 2.509 1.00 0.00 N HETATM 487 C4 CPN B 8 8.706 -1.157 2.737 1.00 0.00 C HETATM 488 C5 CPN B 8 7.843 -1.312 3.860 1.00 0.00 C HETATM 489 C6 CPN B 8 7.751 -0.270 4.721 1.00 0.00 C HETATM 490 O2 CPN B 8 9.952 1.988 3.124 1.00 0.00 O HETATM 491 N4 CPN B 8 8.852 -2.117 1.861 1.00 0.00 N HETATM 0 HN42 CPN B 8 8.340 -2.992 1.973 1.00 0.00 H new HETATM 0 HN41 CPN B 8 9.478 -1.991 1.065 1.00 0.00 H new HETATM 0 H8'2 CPN B 8 7.520 1.917 6.058 1.00 0.00 H new HETATM 0 H8'1 CPN B 8 8.212 2.945 4.819 1.00 0.00 H new HETATM 0 H5'2 CPN B 8 11.280 2.653 8.231 1.00 0.00 H new HETATM 0 H5'1 CPN B 8 10.924 4.359 8.419 1.00 0.00 H new HETATM 0 H3'2 CPN B 8 9.781 5.500 6.521 1.00 0.00 H new HETATM 0 H3'1 CPN B 8 8.519 4.554 5.757 1.00 0.00 H new HETATM 0 H2'2 CPN B 8 8.826 4.993 8.758 1.00 0.00 H new HETATM 0 H2'1 CPN B 8 7.689 5.835 7.723 1.00 0.00 H new HETATM 0 H1'3 CPN B 8 6.724 3.995 8.971 1.00 0.00 H new HETATM 0 H6 CPN B 8 7.105 -0.338 5.596 1.00 0.00 H new HETATM 0 H5 CPN B 8 7.280 -2.231 4.020 1.00 0.00 H new HETATM 505 C8' CPN B 9 13.059 1.093 4.017 1.00 0.00 C HETATM 506 C7' CPN B 9 14.349 1.496 4.762 1.00 0.00 C HETATM 507 O7' CPN B 9 14.916 0.623 5.428 1.00 0.00 O HETATM 508 C5' CPN B 9 16.111 3.086 5.388 1.00 0.00 C HETATM 509 C' CPN B 9 17.384 2.493 4.764 1.00 0.00 C HETATM 510 O1' CPN B 9 18.442 2.541 5.398 1.00 0.00 O HETATM 511 N4' CPN B 9 14.853 2.752 4.684 1.00 0.00 N HETATM 512 C3' CPN B 9 14.264 3.868 3.943 1.00 0.00 C HETATM 513 C2' CPN B 9 13.526 4.837 4.878 1.00 0.00 C HETATM 514 N1' CPN B 9 12.413 4.229 5.644 1.00 0.00 N HETATM 515 N1 CPN B 9 13.278 -0.038 3.070 1.00 0.00 N HETATM 516 C2 CPN B 9 14.106 0.141 1.957 1.00 0.00 C HETATM 517 N3 CPN B 9 14.271 -0.861 1.063 1.00 0.00 N HETATM 518 C4 CPN B 9 13.653 -2.010 1.277 1.00 0.00 C HETATM 519 C5 CPN B 9 12.822 -2.255 2.405 1.00 0.00 C HETATM 520 C6 CPN B 9 12.652 -1.242 3.284 1.00 0.00 C HETATM 521 O2 CPN B 9 14.693 1.205 1.741 1.00 0.00 O HETATM 522 N4 CPN B 9 13.847 -2.946 0.386 1.00 0.00 N HETATM 0 HN42 CPN B 9 13.397 -3.855 0.495 1.00 0.00 H new HETATM 0 HN41 CPN B 9 14.448 -2.768 -0.419 1.00 0.00 H new HETATM 0 H8'2 CPN B 9 12.296 0.812 4.743 1.00 0.00 H new HETATM 0 H8'1 CPN B 9 12.676 1.953 3.468 1.00 0.00 H new HETATM 0 H5'2 CPN B 9 16.035 2.740 6.419 1.00 0.00 H new HETATM 0 H5'1 CPN B 9 16.213 4.171 5.422 1.00 0.00 H new HETATM 0 H3'2 CPN B 9 15.047 4.404 3.407 1.00 0.00 H new HETATM 0 H3'1 CPN B 9 13.571 3.484 3.195 1.00 0.00 H new HETATM 0 H2'2 CPN B 9 14.244 5.261 5.580 1.00 0.00 H new HETATM 0 H2'1 CPN B 9 13.133 5.664 4.286 1.00 0.00 H new HETATM 0 H1'3 CPN B 9 11.980 4.938 6.236 1.00 0.00 H new HETATM 0 H6 CPN B 9 12.019 -1.380 4.161 1.00 0.00 H new HETATM 0 H5 CPN B 9 12.341 -3.222 2.555 1.00 0.00 H new TER 536 CPN B 9 HETATM 537 N NME A 10 -18.004 0.955 -0.242 1.00 0.00 N HETATM 538 C NME A 10 -19.056 -0.011 -0.560 1.00 0.00 C HETATM 543 N NME B 10 17.310 1.928 3.550 1.00 0.00 N HETATM 544 C NME B 10 18.433 1.292 2.861 1.00 0.00 C