USER MOD reduce.3.24.130724 H: found=0, std=0, add=216, rem=0, adj=5 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 CPNH1'3 : 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= -0.139 (180deg=-0.139) USER MOD Single : A 4 CPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 APN N1' :NH3+ 170:sc= 0 (180deg=-0.0933) 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+ 176:sc= 0 (180deg=-0.0234) 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+ 174:sc= 0 (180deg=-0.0309) USER MOD Single : B 4 CPN N1' :NH3+ 175:sc= 0 (180deg=-0.0353) 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+ 174:sc= 0 (180deg=-0.0408) USER MOD Single : B 9 CPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 20.517 4.802 0.936 1.00 0.00 C HETATM 2 O ACE A 1 21.346 5.064 1.809 1.00 0.00 O HETATM 3 CH3 ACE A 1 19.100 4.429 1.342 1.00 0.00 C HETATM 0 H1 ACE A 1 18.398 5.143 0.911 1.00 0.00 H new HETATM 0 H2 ACE A 1 18.869 3.428 0.978 1.00 0.00 H new HETATM 0 H3 ACE A 1 19.016 4.449 2.429 1.00 0.00 H new HETATM 7 C8' GPN A 2 20.077 1.822 -3.741 1.00 0.00 C HETATM 8 C7' GPN A 2 19.529 3.086 -4.435 1.00 0.00 C HETATM 9 O7' GPN A 2 18.861 2.958 -5.470 1.00 0.00 O HETATM 10 C5' GPN A 2 19.243 5.540 -4.554 1.00 0.00 C HETATM 11 C' GPN A 2 17.721 5.735 -4.457 1.00 0.00 C HETATM 12 O1' GPN A 2 17.225 6.758 -4.945 1.00 0.00 O HETATM 13 N4' GPN A 2 19.783 4.316 -3.922 1.00 0.00 N HETATM 14 C3' GPN A 2 20.703 4.556 -2.815 1.00 0.00 C HETATM 15 C2' GPN A 2 19.924 4.571 -1.502 1.00 0.00 C HETATM 16 N1' GPN A 2 20.831 4.833 -0.369 1.00 0.00 N HETATM 17 N9 GPN A 2 19.071 0.734 -3.690 1.00 0.00 N HETATM 18 C8 GPN A 2 19.116 -0.488 -4.316 1.00 0.00 C HETATM 19 N7 GPN A 2 18.160 -1.306 -3.963 1.00 0.00 N HETATM 20 C5 GPN A 2 17.411 -0.564 -3.037 1.00 0.00 C HETATM 21 C6 GPN A 2 16.256 -0.915 -2.249 1.00 0.00 C HETATM 22 O6 GPN A 2 15.641 -1.984 -2.192 1.00 0.00 O HETATM 23 N1 GPN A 2 15.814 0.118 -1.440 1.00 0.00 N HETATM 24 C2 GPN A 2 16.389 1.359 -1.389 1.00 0.00 C HETATM 25 N2 GPN A 2 15.860 2.263 -0.592 1.00 0.00 N HETATM 26 N3 GPN A 2 17.471 1.714 -2.094 1.00 0.00 N HETATM 27 C4 GPN A 2 17.944 0.704 -2.896 1.00 0.00 C HETATM 0 HN22 GPN A 2 16.270 3.195 -0.536 1.00 0.00 H new HETATM 0 HN21 GPN A 2 15.041 2.031 -0.031 1.00 0.00 H new HETATM 0 H8'2 GPN A 2 20.962 1.472 -4.272 1.00 0.00 H new HETATM 0 H8'1 GPN A 2 20.391 2.072 -2.728 1.00 0.00 H new HETATM 0 H5'2 GPN A 2 19.522 5.534 -5.608 1.00 0.00 H new HETATM 0 H5'1 GPN A 2 19.729 6.404 -4.101 1.00 0.00 H new HETATM 0 H3'2 GPN A 2 21.467 3.779 -2.788 1.00 0.00 H new HETATM 0 H3'1 GPN A 2 21.219 5.506 -2.956 1.00 0.00 H new HETATM 0 H2'2 GPN A 2 19.149 5.337 -1.540 1.00 0.00 H new HETATM 0 H2'1 GPN A 2 19.421 3.615 -1.360 1.00 0.00 H new HETATM 0 H1'2 GPN A 2 20.297 4.840 0.500 1.00 0.00 H new HETATM 0 HN1 GPN A 2 15.006 -0.057 -0.842 1.00 0.00 H new HETATM 0 H8 GPN A 2 19.883 -0.752 -5.044 1.00 0.00 H new HETATM 41 C8' GPN A 3 13.887 1.666 -4.007 1.00 0.00 C HETATM 42 C7' GPN A 3 12.959 2.769 -4.565 1.00 0.00 C HETATM 43 O7' GPN A 3 11.750 2.545 -4.709 1.00 0.00 O HETATM 44 C5' GPN A 3 12.606 5.068 -5.360 1.00 0.00 C HETATM 45 C' GPN A 3 12.082 5.960 -4.222 1.00 0.00 C HETATM 46 O1' GPN A 3 12.656 6.016 -3.128 1.00 0.00 O HETATM 47 N4' GPN A 3 13.484 3.963 -4.920 1.00 0.00 N HETATM 48 C3' GPN A 3 14.923 4.177 -5.053 1.00 0.00 C HETATM 49 C2' GPN A 3 15.508 4.777 -3.776 1.00 0.00 C HETATM 50 N1' GPN A 3 16.977 4.784 -3.859 1.00 0.00 N HETATM 51 N9 GPN A 3 13.133 0.570 -3.357 1.00 0.00 N HETATM 52 C8 GPN A 3 12.916 -0.701 -3.827 1.00 0.00 C HETATM 53 N7 GPN A 3 12.133 -1.423 -3.071 1.00 0.00 N HETATM 54 C5 GPN A 3 11.811 -0.565 -2.012 1.00 0.00 C HETATM 55 C6 GPN A 3 10.967 -0.754 -0.861 1.00 0.00 C HETATM 56 O6 GPN A 3 10.326 -1.753 -0.521 1.00 0.00 O HETATM 57 N1 GPN A 3 10.885 0.371 -0.052 1.00 0.00 N HETATM 58 C2 GPN A 3 11.547 1.545 -0.294 1.00 0.00 C HETATM 59 N2 GPN A 3 11.369 2.560 0.526 1.00 0.00 N HETATM 60 N3 GPN A 3 12.369 1.741 -1.331 1.00 0.00 N HETATM 61 C4 GPN A 3 12.445 0.654 -2.166 1.00 0.00 C HETATM 0 HN22 GPN A 3 11.855 3.441 0.360 1.00 0.00 H new HETATM 0 HN21 GPN A 3 10.745 2.465 1.327 1.00 0.00 H new HETATM 0 H8'2 GPN A 3 14.490 1.258 -4.818 1.00 0.00 H new HETATM 0 H8'1 GPN A 3 14.577 2.106 -3.287 1.00 0.00 H new HETATM 0 H5'2 GPN A 3 11.755 4.647 -5.896 1.00 0.00 H new HETATM 0 H5'1 GPN A 3 13.153 5.689 -6.069 1.00 0.00 H new HETATM 0 H3'2 GPN A 3 15.416 3.230 -5.273 1.00 0.00 H new HETATM 0 H3'1 GPN A 3 15.119 4.842 -5.894 1.00 0.00 H new HETATM 0 H2'2 GPN A 3 15.137 5.792 -3.637 1.00 0.00 H new HETATM 0 H2'1 GPN A 3 15.186 4.199 -2.910 1.00 0.00 H new HETATM 0 H1'3 GPN A 3 17.364 5.185 -3.005 1.00 0.00 H new HETATM 0 HN1 GPN A 3 10.293 0.320 0.777 1.00 0.00 H new HETATM 0 H8 GPN A 3 13.358 -1.075 -4.750 1.00 0.00 H new HETATM 75 C8' CPN A 4 9.202 4.717 -2.073 1.00 0.00 C HETATM 76 C7' CPN A 4 8.174 5.604 -2.809 1.00 0.00 C HETATM 77 O7' CPN A 4 7.124 5.097 -3.212 1.00 0.00 O HETATM 78 C5' CPN A 4 7.434 7.782 -3.699 1.00 0.00 C HETATM 79 C' CPN A 4 6.576 8.700 -2.817 1.00 0.00 C HETATM 80 O1' CPN A 4 5.879 9.560 -3.366 1.00 0.00 O HETATM 81 N4' CPN A 4 8.414 6.925 -2.986 1.00 0.00 N HETATM 82 C3' CPN A 4 9.650 7.592 -2.564 1.00 0.00 C HETATM 83 C2' CPN A 4 10.567 7.901 -3.752 1.00 0.00 C HETATM 84 N1' CPN A 4 10.997 6.705 -4.505 1.00 0.00 N HETATM 85 N1 CPN A 4 8.739 3.308 -1.905 1.00 0.00 N HETATM 86 C2 CPN A 4 8.041 2.954 -0.751 1.00 0.00 C HETATM 87 N3 CPN A 4 7.613 1.686 -0.573 1.00 0.00 N HETATM 88 C4 CPN A 4 7.828 0.801 -1.531 1.00 0.00 C HETATM 89 C5 CPN A 4 8.517 1.112 -2.738 1.00 0.00 C HETATM 90 C6 CPN A 4 8.959 2.383 -2.894 1.00 0.00 C HETATM 91 O2 CPN A 4 7.786 3.770 0.136 1.00 0.00 O HETATM 92 N4 CPN A 4 7.351 -0.400 -1.323 1.00 0.00 N HETATM 0 HN42 CPN A 4 7.483 -1.129 -2.024 1.00 0.00 H new HETATM 0 HN41 CPN A 4 6.847 -0.606 -0.460 1.00 0.00 H new HETATM 0 H8'2 CPN A 4 10.141 4.722 -2.627 1.00 0.00 H new HETATM 0 H8'1 CPN A 4 9.408 5.146 -1.092 1.00 0.00 H new HETATM 0 H5'2 CPN A 4 6.769 7.138 -4.274 1.00 0.00 H new HETATM 0 H5'1 CPN A 4 7.975 8.401 -4.415 1.00 0.00 H new HETATM 0 H3'2 CPN A 4 9.404 8.518 -2.045 1.00 0.00 H new HETATM 0 H3'1 CPN A 4 10.179 6.959 -1.852 1.00 0.00 H new HETATM 0 H2'2 CPN A 4 10.049 8.579 -4.431 1.00 0.00 H new HETATM 0 H2'1 CPN A 4 11.450 8.427 -3.389 1.00 0.00 H new HETATM 0 H1'2 CPN A 4 11.601 6.988 -5.277 1.00 0.00 H new HETATM 0 H6 CPN A 4 9.488 2.670 -3.803 1.00 0.00 H new HETATM 0 H5 CPN A 4 8.682 0.357 -3.506 1.00 0.00 H new HETATM 106 C8' APN A 5 4.614 5.966 -0.134 1.00 0.00 C HETATM 107 C7' APN A 5 3.713 6.971 -0.888 1.00 0.00 C HETATM 108 O7' APN A 5 2.902 6.547 -1.718 1.00 0.00 O HETATM 109 C5' APN A 5 2.996 9.279 -1.390 1.00 0.00 C HETATM 110 C' APN A 5 1.774 9.871 -0.666 1.00 0.00 C HETATM 111 O1' APN A 5 0.987 10.567 -1.315 1.00 0.00 O HETATM 112 N4' APN A 5 3.820 8.300 -0.635 1.00 0.00 N HETATM 113 C3' APN A 5 4.830 8.872 0.268 1.00 0.00 C HETATM 114 C2' APN A 5 6.014 9.477 -0.496 1.00 0.00 C HETATM 115 N1' APN A 5 6.635 8.559 -1.476 1.00 0.00 N HETATM 116 N9 APN A 5 4.238 4.550 -0.356 1.00 0.00 N HETATM 117 C8 APN A 5 4.752 3.659 -1.263 1.00 0.00 C HETATM 118 N7 APN A 5 4.284 2.444 -1.150 1.00 0.00 N HETATM 119 C5 APN A 5 3.353 2.556 -0.109 1.00 0.00 C HETATM 120 C6 APN A 5 2.457 1.664 0.533 1.00 0.00 C HETATM 121 N6 APN A 5 2.330 0.382 0.254 1.00 0.00 N HETATM 122 N1 APN A 5 1.619 2.099 1.480 1.00 0.00 N HETATM 123 C2 APN A 5 1.676 3.387 1.803 1.00 0.00 C HETATM 124 N3 APN A 5 2.476 4.331 1.318 1.00 0.00 N HETATM 125 C4 APN A 5 3.301 3.844 0.355 1.00 0.00 C HETATM 0 HN62 APN A 5 1.658 -0.188 0.768 1.00 0.00 H new HETATM 0 HN61 APN A 5 2.904 -0.040 -0.476 1.00 0.00 H new HETATM 0 H8'2 APN A 5 5.648 6.112 -0.447 1.00 0.00 H new HETATM 0 H8'1 APN A 5 4.570 6.182 0.934 1.00 0.00 H new HETATM 0 H5'2 APN A 5 2.647 8.795 -2.303 1.00 0.00 H new HETATM 0 H5'1 APN A 5 3.642 10.103 -1.693 1.00 0.00 H new HETATM 0 H3'2 APN A 5 4.368 9.641 0.887 1.00 0.00 H new HETATM 0 H3'1 APN A 5 5.193 8.096 0.942 1.00 0.00 H new HETATM 0 H2'2 APN A 5 5.676 10.373 -1.017 1.00 0.00 H new HETATM 0 H2'1 APN A 5 6.772 9.792 0.221 1.00 0.00 H new HETATM 0 H1'3 APN A 5 7.296 9.076 -2.055 1.00 0.00 H new HETATM 0 H8 APN A 5 5.489 3.941 -2.015 1.00 0.00 H new HETATM 0 H2 APN A 5 0.972 3.713 2.569 1.00 0.00 H new HETATM 139 C8' TPN A 6 -0.406 6.689 1.048 1.00 0.00 C HETATM 140 C7' TPN A 6 -1.415 7.730 0.527 1.00 0.00 C HETATM 141 O7' TPN A 6 -2.253 7.396 -0.318 1.00 0.00 O HETATM 142 C5' TPN A 6 -2.350 9.998 0.515 1.00 0.00 C HETATM 143 C' TPN A 6 -3.754 9.941 1.141 1.00 0.00 C HETATM 144 O1' TPN A 6 -4.643 10.658 0.668 1.00 0.00 O HETATM 145 N4' TPN A 6 -1.389 8.990 1.019 1.00 0.00 N HETATM 146 C3' TPN A 6 -0.479 9.450 2.075 1.00 0.00 C HETATM 147 C2' TPN A 6 0.644 10.339 1.527 1.00 0.00 C HETATM 148 N1' TPN A 6 1.607 9.634 0.652 1.00 0.00 N HETATM 149 N1 TPN A 6 -0.605 5.345 0.443 1.00 0.00 N HETATM 150 C6 TPN A 6 0.044 5.021 -0.730 1.00 0.00 C HETATM 151 C2 TPN A 6 -1.359 4.398 1.147 1.00 0.00 C HETATM 152 O2 TPN A 6 -1.921 4.628 2.215 1.00 0.00 O HETATM 153 N3 TPN A 6 -1.419 3.135 0.606 1.00 0.00 N HETATM 154 C4 TPN A 6 -0.805 2.726 -0.555 1.00 0.00 C HETATM 155 O4 TPN A 6 -0.938 1.558 -0.922 1.00 0.00 O HETATM 156 C5 TPN A 6 -0.020 3.758 -1.227 1.00 0.00 C HETATM 157 C5M TPN A 6 0.793 3.389 -2.444 1.00 0.00 C HETATM 0 HM53 TPN A 6 0.499 4.019 -3.283 1.00 0.00 H new HETATM 0 HM52 TPN A 6 1.852 3.537 -2.233 1.00 0.00 H new HETATM 0 HM51 TPN A 6 0.616 2.343 -2.696 1.00 0.00 H new HETATM 0 H8'2 TPN A 6 0.607 7.032 0.836 1.00 0.00 H new HETATM 0 H8'1 TPN A 6 -0.496 6.612 2.132 1.00 0.00 H new HETATM 0 H5'2 TPN A 6 -2.446 9.876 -0.564 1.00 0.00 H new HETATM 0 H5'1 TPN A 6 -1.934 10.990 0.688 1.00 0.00 H new HETATM 0 H3'2 TPN A 6 -1.045 10.004 2.824 1.00 0.00 H new HETATM 0 H3'1 TPN A 6 -0.044 8.587 2.578 1.00 0.00 H new HETATM 0 H2'2 TPN A 6 0.200 11.163 0.969 1.00 0.00 H new HETATM 0 H2'1 TPN A 6 1.186 10.777 2.365 1.00 0.00 H new HETATM 0 H1'3 TPN A 6 2.319 10.290 0.330 1.00 0.00 H new HETATM 0 HN3 TPN A 6 -1.968 2.439 1.111 1.00 0.00 H new HETATM 0 H6 TPN A 6 0.612 5.784 -1.262 1.00 0.00 H new HETATM 172 C8' GPN A 7 -4.885 5.588 1.311 1.00 0.00 C HETATM 173 C7' GPN A 7 -6.098 6.477 0.955 1.00 0.00 C HETATM 174 O7' GPN A 7 -6.682 6.297 -0.121 1.00 0.00 O HETATM 175 C5' GPN A 7 -7.748 8.220 1.510 1.00 0.00 C HETATM 176 C' GPN A 7 -9.038 7.756 2.207 1.00 0.00 C HETATM 177 O1' GPN A 7 -10.072 8.412 2.035 1.00 0.00 O HETATM 178 N4' GPN A 7 -6.528 7.431 1.819 1.00 0.00 N HETATM 179 C3' GPN A 7 -5.870 7.756 3.091 1.00 0.00 C HETATM 180 C2' GPN A 7 -5.160 9.116 3.055 1.00 0.00 C HETATM 181 N1' GPN A 7 -3.956 9.131 2.200 1.00 0.00 N HETATM 182 N9 GPN A 7 -4.811 4.378 0.452 1.00 0.00 N HETATM 183 C8 GPN A 7 -4.208 4.233 -0.776 1.00 0.00 C HETATM 184 N7 GPN A 7 -4.380 3.058 -1.320 1.00 0.00 N HETATM 185 C5 GPN A 7 -5.157 2.364 -0.382 1.00 0.00 C HETATM 186 C6 GPN A 7 -5.714 1.034 -0.399 1.00 0.00 C HETATM 187 O6 GPN A 7 -5.644 0.167 -1.277 1.00 0.00 O HETATM 188 N1 GPN A 7 -6.427 0.724 0.749 1.00 0.00 N HETATM 189 C2 GPN A 7 -6.603 1.579 1.802 1.00 0.00 C HETATM 190 N2 GPN A 7 -7.312 1.183 2.838 1.00 0.00 N HETATM 191 N3 GPN A 7 -6.126 2.826 1.838 1.00 0.00 N HETATM 192 C4 GPN A 7 -5.405 3.163 0.719 1.00 0.00 C HETATM 0 HN22 GPN A 7 -7.451 1.810 3.630 1.00 0.00 H new HETATM 0 HN21 GPN A 7 -7.722 0.249 2.848 1.00 0.00 H new HETATM 0 H8'2 GPN A 7 -3.967 6.166 1.203 1.00 0.00 H new HETATM 0 H8'1 GPN A 7 -4.950 5.287 2.357 1.00 0.00 H new HETATM 0 H5'2 GPN A 7 -7.910 8.196 0.432 1.00 0.00 H new HETATM 0 H5'1 GPN A 7 -7.564 9.260 1.781 1.00 0.00 H new HETATM 0 H3'2 GPN A 7 -6.612 7.758 3.890 1.00 0.00 H new HETATM 0 H3'1 GPN A 7 -5.145 6.978 3.331 1.00 0.00 H new HETATM 0 H2'2 GPN A 7 -5.859 9.872 2.697 1.00 0.00 H new HETATM 0 H2'1 GPN A 7 -4.878 9.397 4.070 1.00 0.00 H new HETATM 0 H1'3 GPN A 7 -3.535 10.060 2.221 1.00 0.00 H new HETATM 0 HN1 GPN A 7 -6.848 -0.203 0.812 1.00 0.00 H new HETATM 0 H8 GPN A 7 -3.637 5.029 -1.253 1.00 0.00 H new HETATM 206 C8' CPN A 8 -9.381 3.749 1.078 1.00 0.00 C HETATM 207 C7' CPN A 8 -10.734 4.491 1.055 1.00 0.00 C HETATM 208 O7' CPN A 8 -11.290 4.669 -0.033 1.00 0.00 O HETATM 209 C5' CPN A 8 -12.647 5.551 2.195 1.00 0.00 C HETATM 210 C' CPN A 8 -13.839 4.602 2.414 1.00 0.00 C HETATM 211 O1' CPN A 8 -14.983 5.054 2.299 1.00 0.00 O HETATM 212 N4' CPN A 8 -11.308 4.915 2.209 1.00 0.00 N HETATM 213 C3' CPN A 8 -10.665 4.864 3.526 1.00 0.00 C HETATM 214 C2' CPN A 8 -10.071 6.222 3.910 1.00 0.00 C HETATM 215 N1' CPN A 8 -8.991 6.670 3.006 1.00 0.00 N HETATM 216 N1 CPN A 8 -9.175 2.898 -0.129 1.00 0.00 N HETATM 217 C2 CPN A 8 -9.824 1.664 -0.196 1.00 0.00 C HETATM 218 N3 CPN A 8 -9.648 0.857 -1.263 1.00 0.00 N HETATM 219 C4 CPN A 8 -8.863 1.263 -2.245 1.00 0.00 C HETATM 220 C5 CPN A 8 -8.187 2.517 -2.235 1.00 0.00 C HETATM 221 C6 CPN A 8 -8.368 3.315 -1.156 1.00 0.00 C HETATM 222 O2 CPN A 8 -10.567 1.266 0.703 1.00 0.00 O HETATM 223 N4 CPN A 8 -8.736 0.442 -3.257 1.00 0.00 N HETATM 0 HN42 CPN A 8 -8.144 0.695 -4.048 1.00 0.00 H new HETATM 0 HN41 CPN A 8 -9.229 -0.451 -3.254 1.00 0.00 H new HETATM 0 H8'2 CPN A 8 -8.573 4.477 1.148 1.00 0.00 H new HETATM 0 H8'1 CPN A 8 -9.327 3.126 1.971 1.00 0.00 H new HETATM 0 H5'2 CPN A 8 -12.779 6.056 1.238 1.00 0.00 H new HETATM 0 H5'1 CPN A 8 -12.672 6.320 2.967 1.00 0.00 H new HETATM 0 H3'2 CPN A 8 -11.394 4.558 4.277 1.00 0.00 H new HETATM 0 H3'1 CPN A 8 -9.878 4.110 3.520 1.00 0.00 H new HETATM 0 H2'2 CPN A 8 -10.865 6.969 3.913 1.00 0.00 H new HETATM 0 H2'1 CPN A 8 -9.683 6.165 4.927 1.00 0.00 H new HETATM 0 H1'3 CPN A 8 -8.687 7.605 3.276 1.00 0.00 H new HETATM 0 H6 CPN A 8 -7.874 4.285 -1.104 1.00 0.00 H new HETATM 0 H5 CPN A 8 -7.549 2.822 -3.064 1.00 0.00 H new HETATM 237 C8' CPN A 9 -13.651 2.390 -0.476 1.00 0.00 C HETATM 238 C7' CPN A 9 -15.167 2.503 -0.217 1.00 0.00 C HETATM 239 O7' CPN A 9 -15.860 3.032 -1.092 1.00 0.00 O HETATM 240 C5' CPN A 9 -17.170 2.191 1.171 1.00 0.00 C HETATM 241 C' CPN A 9 -18.068 1.191 0.426 1.00 0.00 C HETATM 242 O1' CPN A 9 -19.289 1.245 0.592 1.00 0.00 O HETATM 243 N4' CPN A 9 -15.720 2.035 0.927 1.00 0.00 N HETATM 244 C3' CPN A 9 -15.001 1.343 1.996 1.00 0.00 C HETATM 245 C2' CPN A 9 -14.616 2.314 3.121 1.00 0.00 C HETATM 246 N1' CPN A 9 -13.597 3.312 2.729 1.00 0.00 N HETATM 247 N1 CPN A 9 -13.319 1.624 -1.709 1.00 0.00 N HETATM 248 C2 CPN A 9 -13.790 0.317 -1.862 1.00 0.00 C HETATM 249 N3 CPN A 9 -13.503 -0.383 -2.981 1.00 0.00 N HETATM 250 C4 CPN A 9 -12.759 0.186 -3.913 1.00 0.00 C HETATM 251 C5 CPN A 9 -12.231 1.502 -3.800 1.00 0.00 C HETATM 252 C6 CPN A 9 -12.532 2.198 -2.677 1.00 0.00 C HETATM 253 O2 CPN A 9 -14.466 -0.245 -0.995 1.00 0.00 O HETATM 254 N4 CPN A 9 -12.543 -0.524 -4.989 1.00 0.00 N HETATM 0 HN42 CPN A 9 -11.976 -0.143 -5.747 1.00 0.00 H new HETATM 0 HN41 CPN A 9 -12.941 -1.460 -5.071 1.00 0.00 H new HETATM 0 H8'2 CPN A 9 -13.227 3.391 -0.554 1.00 0.00 H new HETATM 0 H8'1 CPN A 9 -13.178 1.909 0.380 1.00 0.00 H new HETATM 0 H5'2 CPN A 9 -17.464 3.201 0.886 1.00 0.00 H new HETATM 0 H5'1 CPN A 9 -17.355 2.095 2.241 1.00 0.00 H new HETATM 0 H3'2 CPN A 9 -15.623 0.543 2.398 1.00 0.00 H new HETATM 0 H3'1 CPN A 9 -14.103 0.876 1.591 1.00 0.00 H new HETATM 0 H2'2 CPN A 9 -15.511 2.837 3.459 1.00 0.00 H new HETATM 0 H2'1 CPN A 9 -14.242 1.741 3.970 1.00 0.00 H new HETATM 0 H1'3 CPN A 9 -13.392 3.919 3.522 1.00 0.00 H new HETATM 0 H6 CPN A 9 -12.151 3.210 -2.542 1.00 0.00 H new HETATM 0 H5 CPN A 9 -11.610 1.933 -4.585 1.00 0.00 H new TER 268 CPN A 9 HETATM 269 C ACE B 1 -19.689 -8.696 1.263 1.00 0.00 C HETATM 270 O ACE B 1 -20.117 -7.557 1.455 1.00 0.00 O HETATM 271 CH3 ACE B 1 -20.041 -9.804 2.247 1.00 0.00 C HETATM 0 H1 ACE B 1 -20.579 -10.596 1.726 1.00 0.00 H new HETATM 0 H2 ACE B 1 -19.127 -10.211 2.679 1.00 0.00 H new HETATM 0 H3 ACE B 1 -20.669 -9.400 3.041 1.00 0.00 H new HETATM 275 C8' GPN B 2 -16.768 -7.774 -2.732 1.00 0.00 C HETATM 276 C7' GPN B 2 -15.816 -8.701 -1.942 1.00 0.00 C HETATM 277 O7' GPN B 2 -14.616 -8.415 -1.852 1.00 0.00 O HETATM 278 C5' GPN B 2 -15.346 -10.778 -0.715 1.00 0.00 C HETATM 279 C' GPN B 2 -14.861 -10.406 0.697 1.00 0.00 C HETATM 280 O1' GPN B 2 -14.126 -11.200 1.297 1.00 0.00 O HETATM 281 N4' GPN B 2 -16.288 -9.829 -1.354 1.00 0.00 N HETATM 282 C3' GPN B 2 -17.658 -10.334 -1.495 1.00 0.00 C HETATM 283 C2' GPN B 2 -18.399 -10.324 -0.153 1.00 0.00 C HETATM 284 N1' GPN B 2 -18.925 -8.989 0.200 1.00 0.00 N HETATM 285 N9 GPN B 2 -16.033 -6.815 -3.593 1.00 0.00 N HETATM 286 C8 GPN B 2 -15.562 -7.036 -4.864 1.00 0.00 C HETATM 287 N7 GPN B 2 -14.907 -6.030 -5.376 1.00 0.00 N HETATM 288 C5 GPN B 2 -14.942 -5.062 -4.365 1.00 0.00 C HETATM 289 C6 GPN B 2 -14.393 -3.732 -4.311 1.00 0.00 C HETATM 290 O6 GPN B 2 -13.755 -3.119 -5.173 1.00 0.00 O HETATM 291 N1 GPN B 2 -14.639 -3.085 -3.111 1.00 0.00 N HETATM 292 C2 GPN B 2 -15.331 -3.635 -2.063 1.00 0.00 C HETATM 293 N2 GPN B 2 -15.444 -2.939 -0.949 1.00 0.00 N HETATM 294 N3 GPN B 2 -15.885 -4.858 -2.093 1.00 0.00 N HETATM 295 C4 GPN B 2 -15.646 -5.530 -3.268 1.00 0.00 C HETATM 0 HN22 GPN B 2 -15.954 -3.326 -0.155 1.00 0.00 H new HETATM 0 HN21 GPN B 2 -15.021 -2.013 -0.881 1.00 0.00 H new HETATM 0 H8'2 GPN B 2 -17.431 -8.379 -3.350 1.00 0.00 H new HETATM 0 H8'1 GPN B 2 -17.398 -7.223 -2.033 1.00 0.00 H new HETATM 0 H5'2 GPN B 2 -14.474 -10.882 -1.361 1.00 0.00 H new HETATM 0 H5'1 GPN B 2 -15.825 -11.756 -0.666 1.00 0.00 H new HETATM 0 H3'2 GPN B 2 -18.200 -9.723 -2.216 1.00 0.00 H new HETATM 0 H3'1 GPN B 2 -17.634 -11.349 -1.892 1.00 0.00 H new HETATM 0 H2'2 GPN B 2 -19.224 -11.036 -0.193 1.00 0.00 H new HETATM 0 H2'1 GPN B 2 -17.724 -10.663 0.633 1.00 0.00 H new HETATM 0 H1'3 GPN B 2 -19.407 -9.039 1.098 1.00 0.00 H new HETATM 0 HN1 GPN B 2 -14.281 -2.136 -3.000 1.00 0.00 H new HETATM 0 H8 GPN B 2 -15.722 -7.972 -5.400 1.00 0.00 H new HETATM 309 C8' GPN B 3 -13.424 -6.066 0.369 1.00 0.00 C HETATM 310 C7' GPN B 3 -12.485 -6.977 1.192 1.00 0.00 C HETATM 311 O7' GPN B 3 -11.311 -7.122 0.835 1.00 0.00 O HETATM 312 C5' GPN B 3 -12.001 -8.345 3.183 1.00 0.00 C HETATM 313 C' GPN B 3 -11.494 -7.608 4.435 1.00 0.00 C HETATM 314 O1' GPN B 3 -10.829 -8.236 5.265 1.00 0.00 O HETATM 315 N4' GPN B 3 -12.934 -7.580 2.321 1.00 0.00 N HETATM 316 C3' GPN B 3 -14.320 -7.502 2.792 1.00 0.00 C HETATM 317 C2' GPN B 3 -15.065 -8.833 2.648 1.00 0.00 C HETATM 318 N1' GPN B 3 -15.282 -9.246 1.245 1.00 0.00 N HETATM 319 N9 GPN B 3 -12.696 -5.321 -0.688 1.00 0.00 N HETATM 320 C8 GPN B 3 -12.299 -5.769 -1.925 1.00 0.00 C HETATM 321 N7 GPN B 3 -11.614 -4.896 -2.615 1.00 0.00 N HETATM 322 C5 GPN B 3 -11.559 -3.774 -1.775 1.00 0.00 C HETATM 323 C6 GPN B 3 -10.937 -2.483 -1.940 1.00 0.00 C HETATM 324 O6 GPN B 3 -10.279 -2.047 -2.890 1.00 0.00 O HETATM 325 N1 GPN B 3 -11.113 -1.646 -0.848 1.00 0.00 N HETATM 326 C2 GPN B 3 -11.818 -1.980 0.277 1.00 0.00 C HETATM 327 N2 GPN B 3 -11.902 -1.119 1.270 1.00 0.00 N HETATM 328 N3 GPN B 3 -12.415 -3.160 0.456 1.00 0.00 N HETATM 329 C4 GPN B 3 -12.241 -4.022 -0.599 1.00 0.00 C HETATM 0 HN22 GPN B 3 -12.425 -1.360 2.111 1.00 0.00 H new HETATM 0 HN21 GPN B 3 -11.444 -0.211 1.198 1.00 0.00 H new HETATM 0 H8'2 GPN B 3 -14.206 -6.672 -0.089 1.00 0.00 H new HETATM 0 H8'1 GPN B 3 -13.918 -5.359 1.036 1.00 0.00 H new HETATM 0 H5'2 GPN B 3 -11.140 -8.639 2.583 1.00 0.00 H new HETATM 0 H5'1 GPN B 3 -12.497 -9.262 3.500 1.00 0.00 H new HETATM 0 H3'2 GPN B 3 -14.328 -7.196 3.838 1.00 0.00 H new HETATM 0 H3'1 GPN B 3 -14.848 -6.731 2.231 1.00 0.00 H new HETATM 0 H2'2 GPN B 3 -14.502 -9.611 3.163 1.00 0.00 H new HETATM 0 H2'1 GPN B 3 -16.031 -8.754 3.147 1.00 0.00 H new HETATM 0 H1'3 GPN B 3 -15.691 -10.180 1.224 1.00 0.00 H new HETATM 0 HN1 GPN B 3 -10.689 -0.719 -0.886 1.00 0.00 H new HETATM 0 H8 GPN B 3 -12.535 -6.766 -2.298 1.00 0.00 H new HETATM 343 C8' CPN B 4 -9.783 -3.756 2.944 1.00 0.00 C HETATM 344 C7' CPN B 4 -8.900 -4.463 3.997 1.00 0.00 C HETATM 345 O7' CPN B 4 -7.753 -4.794 3.685 1.00 0.00 O HETATM 346 C5' CPN B 4 -8.550 -5.414 6.251 1.00 0.00 C HETATM 347 C' CPN B 4 -8.005 -4.564 7.410 1.00 0.00 C HETATM 348 O1' CPN B 4 -7.556 -5.139 8.409 1.00 0.00 O HETATM 349 N4' CPN B 4 -9.374 -4.693 5.247 1.00 0.00 N HETATM 350 C3' CPN B 4 -10.726 -4.322 5.694 1.00 0.00 C HETATM 351 C2' CPN B 4 -11.646 -5.536 5.850 1.00 0.00 C HETATM 352 N1' CPN B 4 -11.830 -6.313 4.604 1.00 0.00 N HETATM 353 N1 CPN B 4 -9.052 -3.435 1.683 1.00 0.00 N HETATM 354 C2 CPN B 4 -8.409 -2.203 1.562 1.00 0.00 C HETATM 355 N3 CPN B 4 -7.769 -1.874 0.420 1.00 0.00 N HETATM 356 C4 CPN B 4 -7.729 -2.755 -0.563 1.00 0.00 C HETATM 357 C5 CPN B 4 -8.349 -4.035 -0.490 1.00 0.00 C HETATM 358 C6 CPN B 4 -9.010 -4.341 0.652 1.00 0.00 C HETATM 359 O2 CPN B 4 -8.403 -1.375 2.476 1.00 0.00 O HETATM 360 N4 CPN B 4 -7.073 -2.393 -1.638 1.00 0.00 N HETATM 0 HN42 CPN B 4 -7.005 -3.029 -2.433 1.00 0.00 H new HETATM 0 HN41 CPN B 4 -6.630 -1.475 -1.680 1.00 0.00 H new HETATM 0 H8'2 CPN B 4 -10.637 -4.392 2.710 1.00 0.00 H new HETATM 0 H8'1 CPN B 4 -10.179 -2.835 3.371 1.00 0.00 H new HETATM 0 H5'2 CPN B 4 -7.707 -5.875 5.737 1.00 0.00 H new HETATM 0 H5'1 CPN B 4 -9.149 -6.223 6.670 1.00 0.00 H new HETATM 0 H3'2 CPN B 4 -10.659 -3.796 6.647 1.00 0.00 H new HETATM 0 H3'1 CPN B 4 -11.164 -3.628 4.977 1.00 0.00 H new HETATM 0 H2'2 CPN B 4 -11.238 -6.192 6.619 1.00 0.00 H new HETATM 0 H2'1 CPN B 4 -12.620 -5.198 6.203 1.00 0.00 H new HETATM 0 H1'3 CPN B 4 -12.383 -7.147 4.801 1.00 0.00 H new HETATM 0 H6 CPN B 4 -9.508 -5.305 0.752 1.00 0.00 H new HETATM 0 H5 CPN B 4 -8.294 -4.740 -1.320 1.00 0.00 H new HETATM 374 C8' APN B 5 -5.863 -1.551 5.156 1.00 0.00 C HETATM 375 C7' APN B 5 -5.009 -1.998 6.361 1.00 0.00 C HETATM 376 O7' APN B 5 -3.937 -2.583 6.162 1.00 0.00 O HETATM 377 C5' APN B 5 -4.548 -1.973 8.780 1.00 0.00 C HETATM 378 C' APN B 5 -3.781 -0.718 9.226 1.00 0.00 C HETATM 379 O1' APN B 5 -4.175 0.412 8.915 1.00 0.00 O HETATM 380 N4' APN B 5 -5.436 -1.738 7.619 1.00 0.00 N HETATM 381 C3' APN B 5 -6.749 -1.171 7.942 1.00 0.00 C HETATM 382 C2' APN B 5 -7.725 -2.265 8.385 1.00 0.00 C HETATM 383 N1' APN B 5 -8.061 -3.220 7.308 1.00 0.00 N HETATM 384 N9 APN B 5 -5.150 -1.639 3.861 1.00 0.00 N HETATM 385 C8 APN B 5 -5.289 -2.578 2.873 1.00 0.00 C HETATM 386 N7 APN B 5 -4.642 -2.300 1.773 1.00 0.00 N HETATM 387 C5 APN B 5 -3.970 -1.111 2.089 1.00 0.00 C HETATM 388 C6 APN B 5 -3.066 -0.262 1.402 1.00 0.00 C HETATM 389 N6 APN B 5 -2.668 -0.431 0.154 1.00 0.00 N HETATM 390 N1 APN B 5 -2.502 0.780 2.023 1.00 0.00 N HETATM 391 C2 APN B 5 -2.836 0.995 3.291 1.00 0.00 C HETATM 392 N3 APN B 5 -3.698 0.320 4.048 1.00 0.00 N HETATM 393 C4 APN B 5 -4.238 -0.733 3.379 1.00 0.00 C HETATM 0 HN62 APN B 5 -2.013 0.229 -0.266 1.00 0.00 H new HETATM 0 HN61 APN B 5 -3.016 -1.221 -0.390 1.00 0.00 H new HETATM 0 H8'2 APN B 5 -6.761 -2.166 5.109 1.00 0.00 H new HETATM 0 H8'1 APN B 5 -6.189 -0.523 5.313 1.00 0.00 H new HETATM 0 H5'2 APN B 5 -3.833 -2.756 8.528 1.00 0.00 H new HETATM 0 H5'1 APN B 5 -5.144 -2.341 9.615 1.00 0.00 H new HETATM 0 H3'2 APN B 5 -6.644 -0.430 8.734 1.00 0.00 H new HETATM 0 H3'1 APN B 5 -7.149 -0.652 7.071 1.00 0.00 H new HETATM 0 H2'2 APN B 5 -7.292 -2.811 9.223 1.00 0.00 H new HETATM 0 H2'1 APN B 5 -8.642 -1.800 8.747 1.00 0.00 H new HETATM 0 H1'3 APN B 5 -8.711 -3.920 7.665 1.00 0.00 H new HETATM 0 H8 APN B 5 -5.888 -3.480 2.995 1.00 0.00 H new HETATM 0 H2 APN B 5 -2.338 1.835 3.775 1.00 0.00 H new HETATM 407 C8' TPN B 6 -0.926 0.267 7.016 1.00 0.00 C HETATM 408 C7' TPN B 6 0.178 -0.149 8.012 1.00 0.00 C HETATM 409 O7' TPN B 6 1.162 -0.774 7.599 1.00 0.00 O HETATM 410 C5' TPN B 6 1.142 -0.211 10.270 1.00 0.00 C HETATM 411 C' TPN B 6 2.328 0.761 10.376 1.00 0.00 C HETATM 412 O1' TPN B 6 3.317 0.419 11.034 1.00 0.00 O HETATM 413 N4' TPN B 6 0.077 0.189 9.320 1.00 0.00 N HETATM 414 C3' TPN B 6 -1.021 0.979 9.890 1.00 0.00 C HETATM 415 C2' TPN B 6 -1.971 0.126 10.740 1.00 0.00 C HETATM 416 N1' TPN B 6 -2.682 -0.920 9.977 1.00 0.00 N HETATM 417 N1 TPN B 6 -0.599 -0.121 5.615 1.00 0.00 N HETATM 418 C6 TPN B 6 -1.025 -1.334 5.115 1.00 0.00 C HETATM 419 C2 TPN B 6 0.132 0.777 4.826 1.00 0.00 C HETATM 420 O2 TPN B 6 0.485 1.890 5.207 1.00 0.00 O HETATM 421 N3 TPN B 6 0.431 0.367 3.548 1.00 0.00 N HETATM 422 C4 TPN B 6 0.089 -0.841 2.985 1.00 0.00 C HETATM 423 O4 TPN B 6 0.450 -1.087 1.833 1.00 0.00 O HETATM 424 C5 TPN B 6 -0.713 -1.707 3.845 1.00 0.00 C HETATM 425 C5M TPN B 6 -1.243 -3.008 3.291 1.00 0.00 C HETATM 0 HM53 TPN B 6 -0.888 -3.836 3.904 1.00 0.00 H new HETATM 0 HM52 TPN B 6 -2.333 -2.991 3.301 1.00 0.00 H new HETATM 0 HM51 TPN B 6 -0.892 -3.138 2.267 1.00 0.00 H new HETATM 0 H8'2 TPN B 6 -1.869 -0.195 7.308 1.00 0.00 H new HETATM 0 H8'1 TPN B 6 -1.071 1.346 7.067 1.00 0.00 H new HETATM 0 H5'2 TPN B 6 1.521 -1.189 9.974 1.00 0.00 H new HETATM 0 H5'1 TPN B 6 0.699 -0.326 11.259 1.00 0.00 H new HETATM 0 H3'2 TPN B 6 -0.609 1.780 10.503 1.00 0.00 H new HETATM 0 H3'1 TPN B 6 -1.583 1.451 9.084 1.00 0.00 H new HETATM 0 H2'2 TPN B 6 -1.401 -0.346 11.541 1.00 0.00 H new HETATM 0 H2'1 TPN B 6 -2.705 0.779 11.213 1.00 0.00 H new HETATM 0 H1'2 TPN B 6 -3.292 -1.444 10.605 1.00 0.00 H new HETATM 0 HN3 TPN B 6 0.955 1.018 2.963 1.00 0.00 H new HETATM 0 H6 TPN B 6 -1.617 -1.999 5.743 1.00 0.00 H new HETATM 440 C8' GPN B 7 3.534 1.520 6.354 1.00 0.00 C HETATM 441 C7' GPN B 7 4.684 1.283 7.359 1.00 0.00 C HETATM 442 O7' GPN B 7 5.398 0.282 7.224 1.00 0.00 O HETATM 443 C5' GPN B 7 6.065 1.963 9.286 1.00 0.00 C HETATM 444 C' GPN B 7 7.294 2.850 9.024 1.00 0.00 C HETATM 445 O1' GPN B 7 8.275 2.732 9.766 1.00 0.00 O HETATM 446 N4' GPN B 7 4.915 2.161 8.368 1.00 0.00 N HETATM 447 C3' GPN B 7 4.057 3.313 8.673 1.00 0.00 C HETATM 448 C2' GPN B 7 3.192 3.076 9.917 1.00 0.00 C HETATM 449 N1' GPN B 7 2.240 1.960 9.765 1.00 0.00 N HETATM 450 N9 GPN B 7 3.743 0.767 5.091 1.00 0.00 N HETATM 451 C8 GPN B 7 3.345 -0.512 4.767 1.00 0.00 C HETATM 452 N7 GPN B 7 3.788 -0.932 3.612 1.00 0.00 N HETATM 453 C5 GPN B 7 4.528 0.153 3.125 1.00 0.00 C HETATM 454 C6 GPN B 7 5.289 0.318 1.913 1.00 0.00 C HETATM 455 O6 GPN B 7 5.490 -0.491 1.001 1.00 0.00 O HETATM 456 N1 GPN B 7 5.858 1.577 1.792 1.00 0.00 N HETATM 457 C2 GPN B 7 5.733 2.574 2.723 1.00 0.00 C HETATM 458 N2 GPN B 7 6.315 3.734 2.509 1.00 0.00 N HETATM 459 N3 GPN B 7 5.069 2.440 3.873 1.00 0.00 N HETATM 460 C4 GPN B 7 4.480 1.208 4.015 1.00 0.00 C HETATM 0 HN22 GPN B 7 6.228 4.483 3.196 1.00 0.00 H new HETATM 0 HN21 GPN B 7 6.853 3.885 1.656 1.00 0.00 H new HETATM 0 H8'2 GPN B 7 2.589 1.218 6.805 1.00 0.00 H new HETATM 0 H8'1 GPN B 7 3.457 2.585 6.134 1.00 0.00 H new HETATM 0 H5'2 GPN B 7 6.375 0.920 9.229 1.00 0.00 H new HETATM 0 H5'1 GPN B 7 5.725 2.139 10.307 1.00 0.00 H new HETATM 0 H3'2 GPN B 7 4.678 4.196 8.827 1.00 0.00 H new HETATM 0 H3'1 GPN B 7 3.413 3.521 7.819 1.00 0.00 H new HETATM 0 H2'2 GPN B 7 3.842 2.876 10.769 1.00 0.00 H new HETATM 0 H2'1 GPN B 7 2.639 3.987 10.145 1.00 0.00 H new HETATM 0 H1'3 GPN B 7 1.698 1.856 10.623 1.00 0.00 H new HETATM 0 HN1 GPN B 7 6.406 1.774 0.954 1.00 0.00 H new HETATM 0 H8 GPN B 7 2.716 -1.120 5.417 1.00 0.00 H new HETATM 474 C8' CPN B 8 8.319 2.039 5.086 1.00 0.00 C HETATM 475 C7' CPN B 8 9.582 2.175 5.964 1.00 0.00 C HETATM 476 O7' CPN B 8 10.319 1.196 6.106 1.00 0.00 O HETATM 477 C5' CPN B 8 11.116 3.500 7.359 1.00 0.00 C HETATM 478 C' CPN B 8 12.381 3.899 6.585 1.00 0.00 C HETATM 479 O1' CPN B 8 13.453 3.963 7.196 1.00 0.00 O HETATM 480 N4' CPN B 8 9.885 3.362 6.546 1.00 0.00 N HETATM 481 C3' CPN B 8 9.058 4.569 6.465 1.00 0.00 C HETATM 482 C2' CPN B 8 8.255 4.794 7.751 1.00 0.00 C HETATM 483 N1' CPN B 8 7.253 3.740 8.011 1.00 0.00 N HETATM 484 N1 CPN B 8 8.347 0.829 4.214 1.00 0.00 N HETATM 485 C2 CPN B 8 9.107 0.864 3.045 1.00 0.00 C HETATM 486 N3 CPN B 8 9.161 -0.215 2.236 1.00 0.00 N HETATM 487 C4 CPN B 8 8.479 -1.296 2.567 1.00 0.00 C HETATM 488 C5 CPN B 8 7.690 -1.389 3.749 1.00 0.00 C HETATM 489 C6 CPN B 8 7.649 -0.302 4.556 1.00 0.00 C HETATM 490 O2 CPN B 8 9.745 1.862 2.706 1.00 0.00 O HETATM 491 N4 CPN B 8 8.580 -2.313 1.750 1.00 0.00 N HETATM 0 HN42 CPN B 8 8.078 -3.178 1.948 1.00 0.00 H new HETATM 0 HN41 CPN B 8 9.161 -2.240 0.915 1.00 0.00 H new HETATM 0 H8'2 CPN B 8 7.439 1.998 5.728 1.00 0.00 H new HETATM 0 H8'1 CPN B 8 8.218 2.928 4.463 1.00 0.00 H new HETATM 0 H5'2 CPN B 8 11.304 2.553 7.864 1.00 0.00 H new HETATM 0 H5'1 CPN B 8 10.936 4.245 8.135 1.00 0.00 H new HETATM 0 H3'2 CPN B 8 9.694 5.434 6.277 1.00 0.00 H new HETATM 0 H3'1 CPN B 8 8.375 4.486 5.619 1.00 0.00 H new HETATM 0 H2'2 CPN B 8 8.943 4.847 8.595 1.00 0.00 H new HETATM 0 H2'1 CPN B 8 7.750 5.758 7.691 1.00 0.00 H new HETATM 0 H1'3 CPN B 8 6.826 3.894 8.924 1.00 0.00 H new HETATM 0 H6 CPN B 8 7.063 -0.325 5.475 1.00 0.00 H new HETATM 0 H5 CPN B 8 7.141 -2.298 3.994 1.00 0.00 H new HETATM 505 C8' CPN B 9 12.815 0.914 3.854 1.00 0.00 C HETATM 506 C7' CPN B 9 14.128 1.373 4.521 1.00 0.00 C HETATM 507 O7' CPN B 9 14.713 0.557 5.241 1.00 0.00 O HETATM 508 C5' CPN B 9 15.959 2.970 4.877 1.00 0.00 C HETATM 509 C' CPN B 9 17.161 2.293 4.198 1.00 0.00 C HETATM 510 O1' CPN B 9 18.265 2.341 4.746 1.00 0.00 O HETATM 511 N4' CPN B 9 14.641 2.612 4.309 1.00 0.00 N HETATM 512 C3' CPN B 9 14.015 3.672 3.517 1.00 0.00 C HETATM 513 C2' CPN B 9 13.357 4.723 4.418 1.00 0.00 C HETATM 514 N1' CPN B 9 12.277 4.181 5.268 1.00 0.00 N HETATM 515 N1 CPN B 9 13.037 -0.124 2.804 1.00 0.00 N HETATM 516 C2 CPN B 9 13.863 0.165 1.716 1.00 0.00 C HETATM 517 N3 CPN B 9 14.117 -0.774 0.779 1.00 0.00 N HETATM 518 C4 CPN B 9 13.559 -1.962 0.906 1.00 0.00 C HETATM 519 C5 CPN B 9 12.691 -2.309 1.979 1.00 0.00 C HETATM 520 C6 CPN B 9 12.448 -1.360 2.915 1.00 0.00 C HETATM 521 O2 CPN B 9 14.369 1.276 1.561 1.00 0.00 O HETATM 522 N4 CPN B 9 13.843 -2.822 -0.038 1.00 0.00 N HETATM 0 HN42 CPN B 9 13.448 -3.762 -0.007 1.00 0.00 H new HETATM 0 HN41 CPN B 9 14.460 -2.553 -0.805 1.00 0.00 H new HETATM 0 H8'2 CPN B 9 12.144 0.517 4.616 1.00 0.00 H new HETATM 0 H8'1 CPN B 9 12.317 1.776 3.409 1.00 0.00 H new HETATM 0 H5'2 CPN B 9 15.965 2.711 5.936 1.00 0.00 H new HETATM 0 H5'1 CPN B 9 16.085 4.051 4.813 1.00 0.00 H new HETATM 0 H3'2 CPN B 9 14.765 4.149 2.886 1.00 0.00 H new HETATM 0 H3'1 CPN B 9 13.267 3.239 2.852 1.00 0.00 H new HETATM 0 H2'2 CPN B 9 14.119 5.171 5.055 1.00 0.00 H new HETATM 0 H2'1 CPN B 9 12.952 5.521 3.795 1.00 0.00 H new HETATM 0 H1'3 CPN B 9 11.885 4.930 5.839 1.00 0.00 H new HETATM 0 H6 CPN B 9 11.787 -1.577 3.754 1.00 0.00 H new HETATM 0 H5 CPN B 9 12.240 -3.299 2.045 1.00 0.00 H new TER 536 CPN B 9 HETATM 537 N NME A 10 -17.501 0.282 -0.381 1.00 0.00 N HETATM 538 C NME A 10 -18.243 -0.699 -1.173 1.00 0.00 C HETATM 543 N NME B 10 16.968 1.654 3.033 1.00 0.00 N HETATM 544 C NME B 10 17.984 0.891 2.306 1.00 0.00 C