USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 347 hydrogens (0 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 Set 1.1: A 11 C O2' : rot 65:sc= -0.0829 USER MOD Set 1.2: B 7 HIS :FLIP no HE2:sc= -0.785 F(o=-2.6,f=-0.87) USER MOD Single : A 4 G O2' : rot -116:sc= 0.151 USER MOD Single : A 4 G O5' : rot 180:sc= 0 USER MOD Single : A 5 C O2' : rot -68:sc= 0.0593 USER MOD Single : A 6 G O2' : rot -23:sc= 0.109 USER MOD Single : A 7 C O2' : rot -120:sc= 0.829 USER MOD Single : A 8 U O2' : rot -16:sc= 0.0931 USER MOD Single : A 9 G O2' : rot -166:sc= 1.07 USER MOD Single : A 10 A O2' : rot -106:sc= 0.0478 USER MOD Single : A 12 A O2' : rot -17:sc= 0.032 USER MOD Single : A 13 A O2' : rot -21:sc= 0.0331 USER MOD Single : A 14 A O2' : rot 180:sc=-0.00442 USER MOD Single : A 15 G O2' : rot -16:sc= 0.0739 USER MOD Single : A 16 C O2' : rot -118:sc= 0.0842 USER MOD Single : A 17 G O2' : rot -18:sc= 0.076 USER MOD Single : A 18 C O2' : rot -15:sc= 0.0747 USER MOD Single : A 18 C O3' : rot 180:sc= 0.083 USER MOD Single : B 1 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.14) USER MOD Single : B 1 ASN N :NH3+ -122:sc= -1.14 (180deg=-2.38!) USER MOD Single : B 3 LYS NZ :NH3+ -133:sc= 0.401 (180deg=0.0127) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 THR OG1 : rot 37:sc= -0.746 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 4 10.923 8.619 7.019 1.00 0.00 O ATOM 2 C5' G A 4 11.890 7.693 6.539 1.00 0.00 C ATOM 3 C4' G A 4 12.249 7.953 5.073 1.00 0.00 C ATOM 4 O4' G A 4 13.300 7.041 4.656 1.00 0.00 O ATOM 5 C3' G A 4 11.137 7.695 4.050 1.00 0.00 C ATOM 6 O3' G A 4 10.180 8.757 3.932 1.00 0.00 O ATOM 7 C2' G A 4 11.917 7.446 2.768 1.00 0.00 C ATOM 8 O2' G A 4 12.095 8.577 1.914 1.00 0.00 O ATOM 9 C1' G A 4 13.258 6.899 3.232 1.00 0.00 C ATOM 10 N9 G A 4 13.513 5.512 2.797 1.00 0.00 N ATOM 11 C8 G A 4 13.520 4.386 3.535 1.00 0.00 C ATOM 12 N7 G A 4 13.784 3.290 2.861 1.00 0.00 N ATOM 13 C5 G A 4 13.965 3.725 1.570 1.00 0.00 C ATOM 14 C6 G A 4 14.269 2.978 0.420 1.00 0.00 C ATOM 15 O6 G A 4 14.439 1.755 0.387 1.00 0.00 O ATOM 16 N1 G A 4 14.369 3.818 -0.733 1.00 0.00 N ATOM 17 C2 G A 4 14.196 5.213 -0.760 1.00 0.00 C ATOM 18 N2 G A 4 14.349 5.749 -2.004 1.00 0.00 N ATOM 19 N3 G A 4 13.905 5.890 0.377 1.00 0.00 N ATOM 20 C4 G A 4 13.803 5.106 1.488 1.00 0.00 C ATOM 0 H5' G A 4 11.505 6.679 6.644 1.00 0.00 H new ATOM 0 H5'' G A 4 12.790 7.758 7.150 1.00 0.00 H new ATOM 0 H4' G A 4 12.508 9.012 5.070 1.00 0.00 H new ATOM 0 H3' G A 4 10.498 6.861 4.339 1.00 0.00 H new ATOM 0 H2' G A 4 11.350 6.762 2.136 1.00 0.00 H new ATOM 0 HO2' G A 4 11.633 8.421 1.064 1.00 0.00 H new ATOM 0 HO5' G A 4 10.718 8.421 7.957 1.00 0.00 H new ATOM 0 H1' G A 4 14.062 7.468 2.765 1.00 0.00 H new ATOM 0 H8 G A 4 13.324 4.384 4.597 1.00 0.00 H new ATOM 0 H1 G A 4 14.586 3.362 -1.619 1.00 0.00 H new ATOM 0 H21 G A 4 14.245 6.754 -2.142 1.00 0.00 H new ATOM 0 H22 G A 4 14.567 5.145 -2.796 1.00 0.00 H new ATOM 33 P C A 5 8.698 8.473 3.403 1.00 0.00 P ATOM 34 OP1 C A 5 7.888 9.696 3.609 1.00 0.00 O ATOM 35 OP2 C A 5 8.190 7.237 4.042 1.00 0.00 O ATOM 36 O5' C A 5 8.874 8.192 1.839 1.00 0.00 O ATOM 37 C5' C A 5 9.043 9.233 0.882 1.00 0.00 C ATOM 38 C4' C A 5 9.254 8.736 -0.581 1.00 0.00 C ATOM 39 O4' C A 5 10.543 8.060 -0.797 1.00 0.00 O ATOM 40 C3' C A 5 8.201 7.776 -1.145 1.00 0.00 C ATOM 41 O3' C A 5 7.010 8.448 -1.564 1.00 0.00 O ATOM 42 C2' C A 5 8.965 7.068 -2.276 1.00 0.00 C ATOM 43 O2' C A 5 8.955 7.785 -3.509 1.00 0.00 O ATOM 44 C1' C A 5 10.381 6.938 -1.710 1.00 0.00 C ATOM 45 N1 C A 5 10.621 5.625 -1.022 1.00 0.00 N ATOM 46 C2 C A 5 10.959 4.453 -1.798 1.00 0.00 C ATOM 47 O2 C A 5 11.055 4.476 -3.038 1.00 0.00 O ATOM 48 N3 C A 5 11.184 3.273 -1.120 1.00 0.00 N ATOM 49 C4 C A 5 11.100 3.200 0.236 1.00 0.00 C ATOM 50 N4 C A 5 11.312 2.025 0.892 1.00 0.00 N ATOM 51 C5 C A 5 10.766 4.383 0.999 1.00 0.00 C ATOM 52 C6 C A 5 10.540 5.521 0.342 1.00 0.00 C ATOM 0 H5' C A 5 9.899 9.842 1.173 1.00 0.00 H new ATOM 0 H5'' C A 5 8.167 9.881 0.910 1.00 0.00 H new ATOM 0 H4' C A 5 9.187 9.689 -1.107 1.00 0.00 H new ATOM 0 H3' C A 5 7.811 7.070 -0.412 1.00 0.00 H new ATOM 0 H2' C A 5 8.507 6.114 -2.538 1.00 0.00 H new ATOM 0 HO2' C A 5 8.046 7.793 -3.875 1.00 0.00 H new ATOM 0 H1' C A 5 11.116 6.959 -2.514 1.00 0.00 H new ATOM 0 H41 C A 5 11.245 1.989 1.909 1.00 0.00 H new ATOM 0 H42 C A 5 11.538 1.181 0.366 1.00 0.00 H new ATOM 0 H5 C A 5 10.701 4.345 2.076 1.00 0.00 H new ATOM 0 H6 C A 5 10.281 6.402 0.911 1.00 0.00 H new ATOM 64 P G A 6 5.658 7.671 -1.901 1.00 0.00 P ATOM 65 OP1 G A 6 4.574 8.667 -2.031 1.00 0.00 O ATOM 66 OP2 G A 6 5.440 6.586 -0.913 1.00 0.00 O ATOM 67 O5' G A 6 5.953 7.081 -3.352 1.00 0.00 O ATOM 68 C5' G A 6 5.830 5.693 -3.642 1.00 0.00 C ATOM 69 C4' G A 6 6.698 5.292 -4.855 1.00 0.00 C ATOM 70 O4' G A 6 8.002 4.811 -4.408 1.00 0.00 O ATOM 71 C3' G A 6 6.097 4.125 -5.639 1.00 0.00 C ATOM 72 O3' G A 6 5.390 4.627 -6.777 1.00 0.00 O ATOM 73 C2' G A 6 7.281 3.231 -6.024 1.00 0.00 C ATOM 74 O2' G A 6 7.890 3.585 -7.269 1.00 0.00 O ATOM 75 C1' G A 6 8.258 3.483 -4.874 1.00 0.00 C ATOM 76 N9 G A 6 8.341 2.518 -3.734 1.00 0.00 N ATOM 77 C8 G A 6 8.139 2.749 -2.408 1.00 0.00 C ATOM 78 N7 G A 6 8.345 1.724 -1.624 1.00 0.00 N ATOM 79 C5 G A 6 8.711 0.720 -2.473 1.00 0.00 C ATOM 80 C6 G A 6 9.049 -0.601 -2.157 1.00 0.00 C ATOM 81 O6 G A 6 9.080 -1.080 -1.018 1.00 0.00 O ATOM 82 N1 G A 6 9.369 -1.344 -3.327 1.00 0.00 N ATOM 83 C2 G A 6 9.363 -0.859 -4.649 1.00 0.00 C ATOM 84 N2 G A 6 9.702 -1.804 -5.567 1.00 0.00 N ATOM 85 N3 G A 6 9.032 0.433 -4.908 1.00 0.00 N ATOM 86 C4 G A 6 8.720 1.164 -3.801 1.00 0.00 C ATOM 0 H5' G A 6 4.786 5.453 -3.844 1.00 0.00 H new ATOM 0 H5'' G A 6 6.128 5.110 -2.771 1.00 0.00 H new ATOM 0 H4' G A 6 6.764 6.186 -5.476 1.00 0.00 H new ATOM 0 H3' G A 6 5.372 3.551 -5.062 1.00 0.00 H new ATOM 0 H2' G A 6 6.977 2.193 -6.162 1.00 0.00 H new ATOM 0 HO2' G A 6 7.246 4.077 -7.820 1.00 0.00 H new ATOM 0 H1' G A 6 9.245 3.329 -5.310 1.00 0.00 H new ATOM 0 H8 G A 6 7.830 3.712 -2.030 1.00 0.00 H new ATOM 0 H1 G A 6 9.628 -2.322 -3.196 1.00 0.00 H new ATOM 0 H21 G A 6 9.731 -1.565 -6.558 1.00 0.00 H new ATOM 0 H22 G A 6 9.927 -2.752 -5.264 1.00 0.00 H new ATOM 98 P C A 7 3.972 4.090 -7.217 1.00 0.00 P ATOM 99 OP1 C A 7 3.623 4.690 -8.527 1.00 0.00 O ATOM 100 OP2 C A 7 3.010 4.300 -6.112 1.00 0.00 O ATOM 101 O5' C A 7 4.236 2.545 -7.381 1.00 0.00 O ATOM 102 C5' C A 7 4.910 1.949 -8.482 1.00 0.00 C ATOM 103 C4' C A 7 5.052 0.410 -8.319 1.00 0.00 C ATOM 104 O4' C A 7 6.138 0.036 -7.408 1.00 0.00 O ATOM 105 C3' C A 7 3.813 -0.247 -7.717 1.00 0.00 C ATOM 106 O3' C A 7 2.847 -0.444 -8.747 1.00 0.00 O ATOM 107 C2' C A 7 4.337 -1.506 -7.042 1.00 0.00 C ATOM 108 O2' C A 7 4.295 -2.672 -7.863 1.00 0.00 O ATOM 109 C1' C A 7 5.796 -1.176 -6.697 1.00 0.00 C ATOM 110 N1 C A 7 5.917 -1.031 -5.226 1.00 0.00 N ATOM 111 C2 C A 7 6.212 -2.185 -4.409 1.00 0.00 C ATOM 112 O2 C A 7 6.443 -3.306 -4.899 1.00 0.00 O ATOM 113 N3 C A 7 6.231 -2.023 -3.041 1.00 0.00 N ATOM 114 C4 C A 7 5.982 -0.818 -2.464 1.00 0.00 C ATOM 115 N4 C A 7 5.988 -0.693 -1.102 1.00 0.00 N ATOM 116 C5 C A 7 5.696 0.321 -3.316 1.00 0.00 C ATOM 117 C6 C A 7 5.679 0.170 -4.622 1.00 0.00 C ATOM 0 H5' C A 7 5.899 2.395 -8.585 1.00 0.00 H new ATOM 0 H5'' C A 7 4.365 2.167 -9.401 1.00 0.00 H new ATOM 0 H4' C A 7 5.234 0.069 -9.338 1.00 0.00 H new ATOM 0 H3' C A 7 3.283 0.346 -6.971 1.00 0.00 H new ATOM 0 H2' C A 7 3.713 -1.750 -6.182 1.00 0.00 H new ATOM 0 HO2' C A 7 3.733 -3.352 -7.437 1.00 0.00 H new ATOM 0 H1' C A 7 6.487 -1.964 -6.998 1.00 0.00 H new ATOM 0 H41 C A 7 5.801 0.213 -0.672 1.00 0.00 H new ATOM 0 H42 C A 7 6.180 -1.506 -0.516 1.00 0.00 H new ATOM 0 H5 C A 7 5.498 1.289 -2.879 1.00 0.00 H new ATOM 0 H6 C A 7 5.469 1.030 -5.241 1.00 0.00 H new ATOM 129 P U A 8 1.306 -0.734 -8.604 1.00 0.00 P ATOM 130 OP1 U A 8 0.665 -0.433 -9.902 1.00 0.00 O ATOM 131 OP2 U A 8 0.774 -0.022 -7.420 1.00 0.00 O ATOM 132 O5' U A 8 1.286 -2.313 -8.402 1.00 0.00 O ATOM 133 C5' U A 8 0.985 -2.911 -7.155 1.00 0.00 C ATOM 134 C4' U A 8 1.303 -4.425 -7.154 1.00 0.00 C ATOM 135 O4' U A 8 2.659 -4.727 -6.685 1.00 0.00 O ATOM 136 C3' U A 8 0.377 -5.212 -6.234 1.00 0.00 C ATOM 137 O3' U A 8 -0.714 -5.727 -6.997 1.00 0.00 O ATOM 138 C2' U A 8 1.255 -6.340 -5.667 1.00 0.00 C ATOM 139 O2' U A 8 1.318 -7.506 -6.491 1.00 0.00 O ATOM 140 C1' U A 8 2.635 -5.669 -5.594 1.00 0.00 C ATOM 141 N1 U A 8 2.976 -5.025 -4.272 1.00 0.00 N ATOM 142 C2 U A 8 3.183 -5.877 -3.127 1.00 0.00 C ATOM 143 O2 U A 8 3.113 -7.113 -3.135 1.00 0.00 O ATOM 144 N3 U A 8 3.489 -5.185 -1.931 1.00 0.00 N ATOM 145 C4 U A 8 3.604 -3.777 -1.770 1.00 0.00 C ATOM 146 O4 U A 8 3.873 -3.271 -0.676 1.00 0.00 O ATOM 147 C5 U A 8 3.380 -3.015 -2.984 1.00 0.00 C ATOM 148 C6 U A 8 3.087 -3.643 -4.138 1.00 0.00 C ATOM 0 H5' U A 8 -0.070 -2.761 -6.925 1.00 0.00 H new ATOM 0 H5'' U A 8 1.556 -2.419 -6.368 1.00 0.00 H new ATOM 0 H4' U A 8 1.177 -4.715 -8.197 1.00 0.00 H new ATOM 0 H3' U A 8 -0.054 -4.611 -5.434 1.00 0.00 H new ATOM 0 H2' U A 8 0.864 -6.714 -4.721 1.00 0.00 H new ATOM 0 HO2' U A 8 0.595 -7.479 -7.152 1.00 0.00 H new ATOM 0 H1' U A 8 3.411 -6.430 -5.679 1.00 0.00 H new ATOM 0 H3 U A 8 3.643 -5.755 -1.099 1.00 0.00 H new ATOM 0 H5 U A 8 3.449 -1.937 -2.962 1.00 0.00 H new ATOM 0 H6 U A 8 2.928 -3.036 -5.017 1.00 0.00 H new ATOM 159 P G A 9 -2.239 -5.604 -6.633 1.00 0.00 P ATOM 160 OP1 G A 9 -3.025 -6.393 -7.611 1.00 0.00 O ATOM 161 OP2 G A 9 -2.591 -4.174 -6.509 1.00 0.00 O ATOM 162 O5' G A 9 -2.314 -6.286 -5.206 1.00 0.00 O ATOM 163 C5' G A 9 -2.193 -7.700 -5.040 1.00 0.00 C ATOM 164 C4' G A 9 -2.157 -8.129 -3.551 1.00 0.00 C ATOM 165 O4' G A 9 -0.856 -7.833 -2.936 1.00 0.00 O ATOM 166 C3' G A 9 -3.183 -7.414 -2.658 1.00 0.00 C ATOM 167 O3' G A 9 -4.463 -8.042 -2.663 1.00 0.00 O ATOM 168 C2' G A 9 -2.527 -7.441 -1.281 1.00 0.00 C ATOM 169 O2' G A 9 -2.750 -8.671 -0.591 1.00 0.00 O ATOM 170 C1' G A 9 -1.028 -7.313 -1.601 1.00 0.00 C ATOM 171 N9 G A 9 -0.477 -5.916 -1.525 1.00 0.00 N ATOM 172 C8 G A 9 -0.228 -5.041 -2.542 1.00 0.00 C ATOM 173 N7 G A 9 0.233 -3.874 -2.176 1.00 0.00 N ATOM 174 C5 G A 9 0.307 -3.952 -0.820 1.00 0.00 C ATOM 175 C6 G A 9 0.739 -2.966 0.071 1.00 0.00 C ATOM 176 O6 G A 9 1.127 -1.842 -0.261 1.00 0.00 O ATOM 177 N1 G A 9 0.675 -3.421 1.414 1.00 0.00 N ATOM 178 C2 G A 9 0.239 -4.691 1.836 1.00 0.00 C ATOM 179 N2 G A 9 0.300 -4.852 3.181 1.00 0.00 N ATOM 180 N3 G A 9 -0.176 -5.624 0.934 1.00 0.00 N ATOM 181 C4 G A 9 -0.121 -5.204 -0.360 1.00 0.00 C ATOM 0 H5' G A 9 -1.284 -8.043 -5.534 1.00 0.00 H new ATOM 0 H5'' G A 9 -3.030 -8.192 -5.535 1.00 0.00 H new ATOM 0 H4' G A 9 -2.377 -9.196 -3.595 1.00 0.00 H new ATOM 0 H3' G A 9 -3.402 -6.404 -3.006 1.00 0.00 H new ATOM 0 H2' G A 9 -2.926 -6.659 -0.636 1.00 0.00 H new ATOM 0 HO2' G A 9 -2.506 -8.566 0.352 1.00 0.00 H new ATOM 0 H1' G A 9 -0.472 -7.865 -0.843 1.00 0.00 H new ATOM 0 H8 G A 9 -0.400 -5.295 -3.578 1.00 0.00 H new ATOM 0 H1 G A 9 0.972 -2.768 2.139 1.00 0.00 H new ATOM 0 H21 G A 9 0.009 -5.734 3.603 1.00 0.00 H new ATOM 0 H22 G A 9 0.637 -4.091 3.771 1.00 0.00 H new ATOM 193 P A A 10 -5.650 -7.672 -3.641 1.00 0.00 P ATOM 194 OP1 A A 10 -5.605 -8.580 -4.809 1.00 0.00 O ATOM 195 OP2 A A 10 -5.657 -6.215 -3.922 1.00 0.00 O ATOM 196 O5' A A 10 -6.880 -8.092 -2.736 1.00 0.00 O ATOM 197 C5' A A 10 -7.817 -7.202 -2.144 1.00 0.00 C ATOM 198 C4' A A 10 -7.536 -6.861 -0.656 1.00 0.00 C ATOM 199 O4' A A 10 -7.269 -8.058 0.117 1.00 0.00 O ATOM 200 C3' A A 10 -6.337 -5.925 -0.388 1.00 0.00 C ATOM 201 O3' A A 10 -6.772 -4.578 -0.181 1.00 0.00 O ATOM 202 C2' A A 10 -5.615 -6.545 0.835 1.00 0.00 C ATOM 203 O2' A A 10 -5.387 -5.659 1.929 1.00 0.00 O ATOM 204 C1' A A 10 -6.531 -7.696 1.278 1.00 0.00 C ATOM 205 N9 A A 10 -5.827 -8.918 1.735 1.00 0.00 N ATOM 206 C8 A A 10 -5.102 -9.826 1.022 1.00 0.00 C ATOM 207 N7 A A 10 -4.625 -10.821 1.733 1.00 0.00 N ATOM 208 C5 A A 10 -5.059 -10.559 3.008 1.00 0.00 C ATOM 209 C6 A A 10 -4.861 -11.277 4.208 1.00 0.00 C ATOM 210 N6 A A 10 -4.139 -12.440 4.190 1.00 0.00 N ATOM 211 N1 A A 10 -5.448 -10.716 5.321 1.00 0.00 N ATOM 212 C2 A A 10 -6.141 -9.575 5.201 1.00 0.00 C ATOM 213 N3 A A 10 -6.379 -8.839 4.134 1.00 0.00 N ATOM 214 C4 A A 10 -5.803 -9.389 3.045 1.00 0.00 C ATOM 0 H5' A A 10 -8.812 -7.640 -2.221 1.00 0.00 H new ATOM 0 H5'' A A 10 -7.831 -6.276 -2.719 1.00 0.00 H new ATOM 0 H4' A A 10 -8.450 -6.346 -0.361 1.00 0.00 H new ATOM 0 H3' A A 10 -5.653 -5.853 -1.234 1.00 0.00 H new ATOM 0 H2' A A 10 -4.611 -6.848 0.539 1.00 0.00 H new ATOM 0 HO2' A A 10 -4.439 -5.414 1.959 1.00 0.00 H new ATOM 0 H1' A A 10 -7.119 -7.345 2.126 1.00 0.00 H new ATOM 0 H8 A A 10 -4.934 -9.734 -0.041 1.00 0.00 H new ATOM 0 H61 A A 10 -3.993 -12.963 5.053 1.00 0.00 H new ATOM 0 H62 A A 10 -3.747 -12.784 3.313 1.00 0.00 H new ATOM 0 H2 A A 10 -6.570 -9.202 6.119 1.00 0.00 H new ATOM 226 P C A 11 -6.901 -3.554 -1.396 1.00 0.00 P ATOM 227 OP1 C A 11 -8.245 -3.703 -1.997 1.00 0.00 O ATOM 228 OP2 C A 11 -5.741 -3.683 -2.312 1.00 0.00 O ATOM 229 O5' C A 11 -6.858 -2.167 -0.639 1.00 0.00 O ATOM 230 C5' C A 11 -5.682 -1.382 -0.484 1.00 0.00 C ATOM 231 C4' C A 11 -5.543 -0.795 0.934 1.00 0.00 C ATOM 232 O4' C A 11 -6.733 -0.040 1.289 1.00 0.00 O ATOM 233 C3' C A 11 -5.403 -1.858 2.027 1.00 0.00 C ATOM 234 O3' C A 11 -4.090 -1.808 2.560 1.00 0.00 O ATOM 235 C2' C A 11 -6.499 -1.542 3.056 1.00 0.00 C ATOM 236 O2' C A 11 -6.112 -1.630 4.424 1.00 0.00 O ATOM 237 C1' C A 11 -6.999 -0.144 2.687 1.00 0.00 C ATOM 238 N1 C A 11 -8.474 -0.058 2.974 1.00 0.00 N ATOM 239 C2 C A 11 -8.943 0.270 4.305 1.00 0.00 C ATOM 240 O2 C A 11 -8.160 0.539 5.238 1.00 0.00 O ATOM 241 N3 C A 11 -10.309 0.281 4.524 1.00 0.00 N ATOM 242 C4 C A 11 -11.198 -0.003 3.532 1.00 0.00 C ATOM 243 N4 C A 11 -12.545 -0.006 3.752 1.00 0.00 N ATOM 244 C5 C A 11 -10.713 -0.321 2.209 1.00 0.00 C ATOM 245 C6 C A 11 -9.404 -0.336 1.992 1.00 0.00 C ATOM 0 H5' C A 11 -5.694 -0.569 -1.210 1.00 0.00 H new ATOM 0 H5'' C A 11 -4.809 -1.995 -0.707 1.00 0.00 H new ATOM 0 H4' C A 11 -4.642 -0.183 0.892 1.00 0.00 H new ATOM 0 H3' C A 11 -5.535 -2.878 1.665 1.00 0.00 H new ATOM 0 H2' C A 11 -7.276 -2.305 2.998 1.00 0.00 H new ATOM 0 HO2' C A 11 -5.435 -0.948 4.617 1.00 0.00 H new ATOM 0 H1' C A 11 -6.521 0.659 3.248 1.00 0.00 H new ATOM 0 H41 C A 11 -13.186 -0.223 2.989 1.00 0.00 H new ATOM 0 H42 C A 11 -12.911 0.208 4.680 1.00 0.00 H new ATOM 0 H5 C A 11 -11.404 -0.543 1.410 1.00 0.00 H new ATOM 0 H6 C A 11 -9.049 -0.577 1.001 1.00 0.00 H new ATOM 257 P A A 12 -2.930 -2.868 2.409 1.00 0.00 P ATOM 258 OP1 A A 12 -1.688 -2.226 2.895 1.00 0.00 O ATOM 259 OP2 A A 12 -2.911 -3.387 1.019 1.00 0.00 O ATOM 260 O5' A A 12 -3.319 -4.050 3.404 1.00 0.00 O ATOM 261 C5' A A 12 -3.642 -3.793 4.770 1.00 0.00 C ATOM 262 C4' A A 12 -3.428 -4.990 5.715 1.00 0.00 C ATOM 263 O4' A A 12 -3.927 -6.228 5.116 1.00 0.00 O ATOM 264 C3' A A 12 -1.973 -5.296 6.070 1.00 0.00 C ATOM 265 O3' A A 12 -1.479 -4.438 7.100 1.00 0.00 O ATOM 266 C2' A A 12 -2.053 -6.766 6.488 1.00 0.00 C ATOM 267 O2' A A 12 -2.404 -6.980 7.855 1.00 0.00 O ATOM 268 C1' A A 12 -3.121 -7.333 5.541 1.00 0.00 C ATOM 269 N9 A A 12 -2.602 -8.116 4.372 1.00 0.00 N ATOM 270 C8 A A 12 -2.585 -7.814 3.032 1.00 0.00 C ATOM 271 N7 A A 12 -2.085 -8.752 2.275 1.00 0.00 N ATOM 272 C5 A A 12 -1.736 -9.752 3.136 1.00 0.00 C ATOM 273 C6 A A 12 -1.154 -11.005 2.865 1.00 0.00 C ATOM 274 N6 A A 12 -0.891 -11.352 1.567 1.00 0.00 N ATOM 275 N1 A A 12 -0.923 -11.786 3.971 1.00 0.00 N ATOM 276 C2 A A 12 -1.251 -11.337 5.187 1.00 0.00 C ATOM 277 N3 A A 12 -1.806 -10.178 5.541 1.00 0.00 N ATOM 278 C4 A A 12 -2.033 -9.406 4.446 1.00 0.00 C ATOM 0 H5' A A 12 -4.685 -3.481 4.831 1.00 0.00 H new ATOM 0 H5'' A A 12 -3.038 -2.957 5.122 1.00 0.00 H new ATOM 0 H4' A A 12 -3.964 -4.684 6.613 1.00 0.00 H new ATOM 0 H3' A A 12 -1.269 -5.125 5.255 1.00 0.00 H new ATOM 0 H2' A A 12 -1.079 -7.250 6.414 1.00 0.00 H new ATOM 0 HO2' A A 12 -2.275 -6.150 8.360 1.00 0.00 H new ATOM 0 H1' A A 12 -3.696 -8.076 6.093 1.00 0.00 H new ATOM 0 H8 A A 12 -2.954 -6.879 2.638 1.00 0.00 H new ATOM 0 H61 A A 12 -0.470 -12.257 1.356 1.00 0.00 H new ATOM 0 H62 A A 12 -1.117 -10.706 0.811 1.00 0.00 H new ATOM 0 H2 A A 12 -1.035 -12.012 6.002 1.00 0.00 H new ATOM 290 P A A 13 0.023 -3.917 7.165 1.00 0.00 P ATOM 291 OP1 A A 13 0.131 -2.946 8.280 1.00 0.00 O ATOM 292 OP2 A A 13 0.436 -3.428 5.829 1.00 0.00 O ATOM 293 O5' A A 13 0.869 -5.223 7.506 1.00 0.00 O ATOM 294 C5' A A 13 0.819 -5.830 8.797 1.00 0.00 C ATOM 295 C4' A A 13 1.353 -7.285 8.803 1.00 0.00 C ATOM 296 O4' A A 13 0.585 -8.141 7.889 1.00 0.00 O ATOM 297 C3' A A 13 2.805 -7.448 8.349 1.00 0.00 C ATOM 298 O3' A A 13 3.734 -7.213 9.412 1.00 0.00 O ATOM 299 C2' A A 13 2.838 -8.882 7.808 1.00 0.00 C ATOM 300 O2' A A 13 3.029 -9.879 8.815 1.00 0.00 O ATOM 301 C1' A A 13 1.457 -9.022 7.156 1.00 0.00 C ATOM 302 N9 A A 13 1.384 -8.783 5.673 1.00 0.00 N ATOM 303 C8 A A 13 0.945 -7.686 4.991 1.00 0.00 C ATOM 304 N7 A A 13 0.984 -7.785 3.690 1.00 0.00 N ATOM 305 C5 A A 13 1.482 -9.029 3.457 1.00 0.00 C ATOM 306 C6 A A 13 1.739 -9.671 2.232 1.00 0.00 C ATOM 307 N6 A A 13 1.465 -9.020 1.056 1.00 0.00 N ATOM 308 N1 A A 13 2.250 -10.941 2.344 1.00 0.00 N ATOM 309 C2 A A 13 2.464 -11.472 3.552 1.00 0.00 C ATOM 310 N3 A A 13 2.253 -10.947 4.762 1.00 0.00 N ATOM 311 C4 A A 13 1.749 -9.691 4.650 1.00 0.00 C ATOM 0 H5' A A 13 -0.210 -5.825 9.155 1.00 0.00 H new ATOM 0 H5'' A A 13 1.403 -5.232 9.497 1.00 0.00 H new ATOM 0 H4' A A 13 1.260 -7.568 9.851 1.00 0.00 H new ATOM 0 H3' A A 13 3.110 -6.720 7.597 1.00 0.00 H new ATOM 0 H2' A A 13 3.680 -9.039 7.133 1.00 0.00 H new ATOM 0 HO2' A A 13 3.433 -9.469 9.608 1.00 0.00 H new ATOM 0 H1' A A 13 1.158 -10.068 7.219 1.00 0.00 H new ATOM 0 H8 A A 13 0.590 -6.798 5.492 1.00 0.00 H new ATOM 0 H61 A A 13 1.649 -9.479 0.164 1.00 0.00 H new ATOM 0 H62 A A 13 1.077 -8.077 1.074 1.00 0.00 H new ATOM 0 H2 A A 13 2.867 -12.474 3.549 1.00 0.00 H new ATOM 323 P A A 14 5.212 -6.692 9.137 1.00 0.00 P ATOM 324 OP1 A A 14 5.868 -6.459 10.443 1.00 0.00 O ATOM 325 OP2 A A 14 5.156 -5.538 8.204 1.00 0.00 O ATOM 326 O5' A A 14 5.892 -7.968 8.462 1.00 0.00 O ATOM 327 C5' A A 14 6.757 -7.843 7.343 1.00 0.00 C ATOM 328 C4' A A 14 6.886 -9.171 6.558 1.00 0.00 C ATOM 329 O4' A A 14 5.581 -9.640 6.062 1.00 0.00 O ATOM 330 C3' A A 14 7.724 -8.998 5.292 1.00 0.00 C ATOM 331 O3' A A 14 9.108 -9.261 5.526 1.00 0.00 O ATOM 332 C2' A A 14 7.058 -9.955 4.291 1.00 0.00 C ATOM 333 O2' A A 14 7.481 -11.315 4.401 1.00 0.00 O ATOM 334 C1' A A 14 5.581 -9.803 4.633 1.00 0.00 C ATOM 335 N9 A A 14 4.930 -8.622 3.949 1.00 0.00 N ATOM 336 C8 A A 14 4.415 -7.512 4.535 1.00 0.00 C ATOM 337 N7 A A 14 3.934 -6.606 3.729 1.00 0.00 N ATOM 338 C5 A A 14 4.132 -7.139 2.487 1.00 0.00 C ATOM 339 C6 A A 14 3.810 -6.603 1.228 1.00 0.00 C ATOM 340 N6 A A 14 3.213 -5.380 1.165 1.00 0.00 N ATOM 341 N1 A A 14 4.139 -7.389 0.156 1.00 0.00 N ATOM 342 C2 A A 14 4.725 -8.575 0.358 1.00 0.00 C ATOM 343 N3 A A 14 5.072 -9.171 1.507 1.00 0.00 N ATOM 344 C4 A A 14 4.743 -8.386 2.565 1.00 0.00 C ATOM 0 H5' A A 14 7.743 -7.524 7.681 1.00 0.00 H new ATOM 0 H5'' A A 14 6.381 -7.065 6.679 1.00 0.00 H new ATOM 0 H4' A A 14 7.337 -9.870 7.263 1.00 0.00 H new ATOM 0 H3' A A 14 7.738 -7.976 4.913 1.00 0.00 H new ATOM 0 H2' A A 14 7.317 -9.707 3.262 1.00 0.00 H new ATOM 0 HO2' A A 14 7.012 -11.858 3.734 1.00 0.00 H new ATOM 0 H1' A A 14 5.000 -10.660 4.291 1.00 0.00 H new ATOM 0 H8 A A 14 4.404 -7.386 5.608 1.00 0.00 H new ATOM 0 H61 A A 14 2.972 -4.976 0.260 1.00 0.00 H new ATOM 0 H62 A A 14 3.007 -4.868 2.023 1.00 0.00 H new ATOM 0 H2 A A 14 4.952 -9.135 -0.537 1.00 0.00 H new ATOM 356 P G A 15 10.265 -8.429 4.812 1.00 0.00 P ATOM 357 OP1 G A 15 11.567 -8.882 5.356 1.00 0.00 O ATOM 358 OP2 G A 15 9.973 -6.980 4.919 1.00 0.00 O ATOM 359 O5' G A 15 10.155 -8.849 3.279 1.00 0.00 O ATOM 360 C5' G A 15 10.345 -10.208 2.895 1.00 0.00 C ATOM 361 C4' G A 15 9.772 -10.528 1.496 1.00 0.00 C ATOM 362 O4' G A 15 8.392 -10.092 1.310 1.00 0.00 O ATOM 363 C3' G A 15 10.559 -9.931 0.338 1.00 0.00 C ATOM 364 O3' G A 15 11.610 -10.821 -0.044 1.00 0.00 O ATOM 365 C2' G A 15 9.504 -9.715 -0.748 1.00 0.00 C ATOM 366 O2' G A 15 9.325 -10.824 -1.630 1.00 0.00 O ATOM 367 C1' G A 15 8.235 -9.423 0.058 1.00 0.00 C ATOM 368 N9 G A 15 7.878 -7.985 0.285 1.00 0.00 N ATOM 369 C8 G A 15 7.785 -7.310 1.465 1.00 0.00 C ATOM 370 N7 G A 15 7.443 -6.044 1.351 1.00 0.00 N ATOM 371 C5 G A 15 7.290 -5.848 0.001 1.00 0.00 C ATOM 372 C6 G A 15 6.928 -4.673 -0.690 1.00 0.00 C ATOM 373 O6 G A 15 6.688 -3.571 -0.178 1.00 0.00 O ATOM 374 N1 G A 15 6.880 -4.898 -2.097 1.00 0.00 N ATOM 375 C2 G A 15 7.153 -6.113 -2.755 1.00 0.00 C ATOM 376 N2 G A 15 7.031 -6.033 -4.108 1.00 0.00 N ATOM 377 N3 G A 15 7.498 -7.218 -2.047 1.00 0.00 N ATOM 378 C4 G A 15 7.550 -7.033 -0.700 1.00 0.00 C ATOM 0 H5' G A 15 9.872 -10.857 3.632 1.00 0.00 H new ATOM 0 H5'' G A 15 11.411 -10.437 2.906 1.00 0.00 H new ATOM 0 H4' G A 15 9.842 -11.616 1.475 1.00 0.00 H new ATOM 0 H3' G A 15 11.065 -8.994 0.570 1.00 0.00 H new ATOM 0 H2' G A 15 9.795 -8.915 -1.429 1.00 0.00 H new ATOM 0 HO2' G A 15 10.086 -11.436 -1.545 1.00 0.00 H new ATOM 0 H1' G A 15 7.398 -9.782 -0.541 1.00 0.00 H new ATOM 0 H8 G A 15 7.977 -7.777 2.420 1.00 0.00 H new ATOM 0 H1 G A 15 6.624 -4.103 -2.683 1.00 0.00 H new ATOM 0 H21 G A 15 7.206 -6.855 -4.685 1.00 0.00 H new ATOM 0 H22 G A 15 6.765 -5.151 -4.545 1.00 0.00 H new ATOM 390 P C A 16 13.095 -10.340 -0.309 1.00 0.00 P ATOM 391 OP1 C A 16 13.942 -11.534 -0.547 1.00 0.00 O ATOM 392 OP2 C A 16 13.524 -9.427 0.776 1.00 0.00 O ATOM 393 O5' C A 16 12.955 -9.504 -1.645 1.00 0.00 O ATOM 394 C5' C A 16 12.689 -10.119 -2.903 1.00 0.00 C ATOM 395 C4' C A 16 12.302 -9.084 -3.987 1.00 0.00 C ATOM 396 O4' C A 16 11.005 -8.458 -3.697 1.00 0.00 O ATOM 397 C3' C A 16 13.274 -7.909 -4.104 1.00 0.00 C ATOM 398 O3' C A 16 14.441 -8.258 -4.855 1.00 0.00 O ATOM 399 C2' C A 16 12.403 -6.797 -4.695 1.00 0.00 C ATOM 400 O2' C A 16 12.283 -6.830 -6.116 1.00 0.00 O ATOM 401 C1' C A 16 11.043 -7.048 -4.011 1.00 0.00 C ATOM 402 N1 C A 16 10.761 -6.176 -2.805 1.00 0.00 N ATOM 403 C2 C A 16 10.364 -4.806 -3.042 1.00 0.00 C ATOM 404 O2 C A 16 10.239 -4.334 -4.189 1.00 0.00 O ATOM 405 N3 C A 16 10.116 -4.002 -1.954 1.00 0.00 N ATOM 406 C4 C A 16 10.233 -4.453 -0.679 1.00 0.00 C ATOM 407 N4 C A 16 9.980 -3.637 0.384 1.00 0.00 N ATOM 408 C5 C A 16 10.627 -5.818 -0.432 1.00 0.00 C ATOM 409 C6 C A 16 10.872 -6.615 -1.484 1.00 0.00 C ATOM 0 H5' C A 16 11.882 -10.843 -2.789 1.00 0.00 H new ATOM 0 H5'' C A 16 13.570 -10.673 -3.229 1.00 0.00 H new ATOM 0 H4' C A 16 12.299 -9.672 -4.905 1.00 0.00 H new ATOM 0 H3' C A 16 13.714 -7.586 -3.161 1.00 0.00 H new ATOM 0 H2' C A 16 12.832 -5.811 -4.515 1.00 0.00 H new ATOM 0 HO2' C A 16 12.653 -6.005 -6.495 1.00 0.00 H new ATOM 0 H1' C A 16 10.242 -6.764 -4.694 1.00 0.00 H new ATOM 0 H41 C A 16 10.073 -3.994 1.335 1.00 0.00 H new ATOM 0 H42 C A 16 9.697 -2.669 0.228 1.00 0.00 H new ATOM 0 H5 C A 16 10.723 -6.191 0.577 1.00 0.00 H new ATOM 0 H6 C A 16 11.167 -7.638 -1.301 1.00 0.00 H new ATOM 421 P G A 17 15.739 -7.342 -4.898 1.00 0.00 P ATOM 422 OP1 G A 17 16.873 -8.158 -5.388 1.00 0.00 O ATOM 423 OP2 G A 17 15.920 -6.651 -3.597 1.00 0.00 O ATOM 424 O5' G A 17 15.324 -6.321 -6.038 1.00 0.00 O ATOM 425 C5' G A 17 15.806 -4.991 -6.067 1.00 0.00 C ATOM 426 C4' G A 17 15.017 -4.161 -7.101 1.00 0.00 C ATOM 427 O4' G A 17 13.614 -3.991 -6.688 1.00 0.00 O ATOM 428 C3' G A 17 15.569 -2.739 -7.241 1.00 0.00 C ATOM 429 O3' G A 17 16.521 -2.672 -8.305 1.00 0.00 O ATOM 430 C2' G A 17 14.328 -1.876 -7.488 1.00 0.00 C ATOM 431 O2' G A 17 13.924 -1.850 -8.861 1.00 0.00 O ATOM 432 C1' G A 17 13.274 -2.594 -6.624 1.00 0.00 C ATOM 433 N9 G A 17 13.046 -2.173 -5.193 1.00 0.00 N ATOM 434 C8 G A 17 13.102 -2.938 -4.056 1.00 0.00 C ATOM 435 N7 G A 17 12.833 -2.303 -2.946 1.00 0.00 N ATOM 436 C5 G A 17 12.575 -1.023 -3.334 1.00 0.00 C ATOM 437 C6 G A 17 12.230 0.068 -2.526 1.00 0.00 C ATOM 438 O6 G A 17 12.103 0.038 -1.297 1.00 0.00 O ATOM 439 N1 G A 17 12.037 1.244 -3.299 1.00 0.00 N ATOM 440 C2 G A 17 12.165 1.345 -4.699 1.00 0.00 C ATOM 441 N2 G A 17 11.921 2.601 -5.167 1.00 0.00 N ATOM 442 N3 G A 17 12.503 0.256 -5.445 1.00 0.00 N ATOM 443 C4 G A 17 12.694 -0.884 -4.722 1.00 0.00 C ATOM 0 H5' G A 17 16.867 -4.986 -6.319 1.00 0.00 H new ATOM 0 H5'' G A 17 15.711 -4.540 -5.079 1.00 0.00 H new ATOM 0 H4' G A 17 15.105 -4.712 -8.037 1.00 0.00 H new ATOM 0 H3' G A 17 16.114 -2.396 -6.362 1.00 0.00 H new ATOM 0 H2' G A 17 14.490 -0.827 -7.242 1.00 0.00 H new ATOM 0 HO2' G A 17 14.669 -2.142 -9.427 1.00 0.00 H new ATOM 0 H1' G A 17 12.312 -2.312 -7.053 1.00 0.00 H new ATOM 0 H8 G A 17 13.350 -3.989 -4.077 1.00 0.00 H new ATOM 0 H1 G A 17 11.782 2.093 -2.795 1.00 0.00 H new ATOM 0 H21 G A 17 11.984 2.794 -6.167 1.00 0.00 H new ATOM 0 H22 G A 17 11.675 3.348 -4.518 1.00 0.00 H new ATOM 455 P C A 18 17.951 -2.004 -8.156 1.00 0.00 P ATOM 456 OP1 C A 18 18.708 -2.231 -9.410 1.00 0.00 O ATOM 457 OP2 C A 18 18.587 -2.474 -6.904 1.00 0.00 O ATOM 458 O5' C A 18 17.618 -0.462 -8.003 1.00 0.00 O ATOM 459 C5' C A 18 17.108 0.323 -9.078 1.00 0.00 C ATOM 460 C4' C A 18 16.583 1.697 -8.598 1.00 0.00 C ATOM 461 O4' C A 18 15.439 1.543 -7.700 1.00 0.00 O ATOM 462 C3' C A 18 17.602 2.521 -7.817 1.00 0.00 C ATOM 463 O3' C A 18 18.388 3.353 -8.670 1.00 0.00 O ATOM 464 C2' C A 18 16.799 3.280 -6.762 1.00 0.00 C ATOM 465 O2' C A 18 16.441 4.612 -7.126 1.00 0.00 O ATOM 466 C1' C A 18 15.541 2.420 -6.561 1.00 0.00 C ATOM 467 N1 C A 18 15.516 1.703 -5.248 1.00 0.00 N ATOM 468 C2 C A 18 15.256 2.440 -4.028 1.00 0.00 C ATOM 469 O2 C A 18 15.046 3.667 -4.018 1.00 0.00 O ATOM 470 N3 C A 18 15.240 1.739 -2.840 1.00 0.00 N ATOM 471 C4 C A 18 15.460 0.397 -2.800 1.00 0.00 C ATOM 472 N4 C A 18 15.443 -0.299 -1.627 1.00 0.00 N ATOM 473 C5 C A 18 15.715 -0.315 -4.026 1.00 0.00 C ATOM 474 C6 C A 18 15.733 0.356 -5.175 1.00 0.00 C ATOM 0 H5' C A 18 16.302 -0.220 -9.572 1.00 0.00 H new ATOM 0 H5'' C A 18 17.892 0.474 -9.820 1.00 0.00 H new ATOM 0 H4' C A 18 16.327 2.212 -9.524 1.00 0.00 H new ATOM 0 H3' C A 18 18.349 1.894 -7.330 1.00 0.00 H new ATOM 0 H2' C A 18 17.399 3.415 -5.862 1.00 0.00 H new ATOM 0 HO2' C A 18 16.978 4.897 -7.895 1.00 0.00 H new ATOM 0 HO3' C A 18 19.026 3.865 -8.130 1.00 0.00 H new ATOM 0 H1' C A 18 14.659 3.058 -6.508 1.00 0.00 H new ATOM 0 H41 C A 18 15.611 -1.305 -1.628 1.00 0.00 H new ATOM 0 H42 C A 18 15.262 0.187 -0.748 1.00 0.00 H new ATOM 0 H5 C A 18 15.889 -1.381 -4.013 1.00 0.00 H new ATOM 0 H6 C A 18 15.927 -0.187 -6.088 1.00 0.00 H new TER 487 C A 18 ATOM 488 N ASN B 1 10.443 1.772 3.932 1.00 0.00 N ATOM 489 CA ASN B 1 9.700 2.565 4.950 1.00 0.00 C ATOM 490 C ASN B 1 8.338 3.069 4.494 1.00 0.00 C ATOM 491 O ASN B 1 7.399 3.009 5.294 1.00 0.00 O ATOM 492 CB ASN B 1 10.580 3.754 5.459 1.00 0.00 C ATOM 493 CG ASN B 1 10.016 4.365 6.761 1.00 0.00 C ATOM 494 OD1 ASN B 1 10.334 3.893 7.859 1.00 0.00 O ATOM 495 ND2 ASN B 1 9.168 5.433 6.628 1.00 0.00 N ATOM 0 H1 ASN B 1 10.655 0.828 4.314 1.00 0.00 H new ATOM 0 H2 ASN B 1 9.862 1.676 3.075 1.00 0.00 H new ATOM 0 H3 ASN B 1 11.332 2.257 3.695 1.00 0.00 H new ATOM 0 HA ASN B 1 9.493 1.872 5.766 1.00 0.00 H new ATOM 0 HB2 ASN B 1 11.598 3.405 5.632 1.00 0.00 H new ATOM 0 HB3 ASN B 1 10.633 4.524 4.689 1.00 0.00 H new ATOM 0 HD21 ASN B 1 8.770 5.874 7.457 1.00 0.00 H new ATOM 0 HD22 ASN B 1 8.935 5.787 5.700 1.00 0.00 H new ATOM 503 N ALA B 2 8.215 3.591 3.230 1.00 0.00 N ATOM 504 CA ALA B 2 7.008 4.158 2.649 1.00 0.00 C ATOM 505 C ALA B 2 5.912 3.137 2.353 1.00 0.00 C ATOM 506 O ALA B 2 5.705 2.679 1.222 1.00 0.00 O ATOM 507 CB ALA B 2 7.285 5.043 1.421 1.00 0.00 C ATOM 0 H ALA B 2 9.003 3.616 2.583 1.00 0.00 H new ATOM 0 HA ALA B 2 6.619 4.802 3.438 1.00 0.00 H new ATOM 0 HB1 ALA B 2 6.344 5.435 1.035 1.00 0.00 H new ATOM 0 HB2 ALA B 2 7.933 5.871 1.708 1.00 0.00 H new ATOM 0 HB3 ALA B 2 7.775 4.450 0.649 1.00 0.00 H new ATOM 513 N LYS B 3 5.177 2.790 3.440 1.00 0.00 N ATOM 514 CA LYS B 3 4.027 1.915 3.513 1.00 0.00 C ATOM 515 C LYS B 3 2.798 2.820 3.551 1.00 0.00 C ATOM 516 O LYS B 3 1.948 2.708 2.671 1.00 0.00 O ATOM 517 CB LYS B 3 4.049 0.909 4.714 1.00 0.00 C ATOM 518 CG LYS B 3 5.087 -0.244 4.618 1.00 0.00 C ATOM 519 CD LYS B 3 4.746 -1.378 3.614 1.00 0.00 C ATOM 520 CE LYS B 3 5.838 -2.461 3.483 1.00 0.00 C ATOM 521 NZ LYS B 3 5.390 -3.579 2.619 1.00 0.00 N ATOM 0 H LYS B 3 5.414 3.161 4.360 1.00 0.00 H new ATOM 0 HA LYS B 3 4.022 1.261 2.641 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.242 1.470 5.628 1.00 0.00 H new ATOM 0 HB3 LYS B 3 3.056 0.470 4.813 1.00 0.00 H new ATOM 0 HG2 LYS B 3 6.051 0.183 4.342 1.00 0.00 H new ATOM 0 HG3 LYS B 3 5.205 -0.684 5.608 1.00 0.00 H new ATOM 0 HD2 LYS B 3 3.815 -1.853 3.923 1.00 0.00 H new ATOM 0 HD3 LYS B 3 4.568 -0.937 2.633 1.00 0.00 H new ATOM 0 HE2 LYS B 3 6.743 -2.019 3.068 1.00 0.00 H new ATOM 0 HE3 LYS B 3 6.094 -2.843 4.471 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 5.607 -4.484 3.083 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 4.364 -3.507 2.462 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 5.884 -3.531 1.705 1.00 0.00 H new ATOM 535 N THR B 4 2.699 3.750 4.562 1.00 0.00 N ATOM 536 CA THR B 4 1.612 4.706 4.797 1.00 0.00 C ATOM 537 C THR B 4 1.448 5.735 3.690 1.00 0.00 C ATOM 538 O THR B 4 0.313 5.931 3.262 1.00 0.00 O ATOM 539 CB THR B 4 1.590 5.391 6.180 1.00 0.00 C ATOM 540 OG1 THR B 4 2.859 5.926 6.545 1.00 0.00 O ATOM 541 CG2 THR B 4 1.082 4.402 7.263 1.00 0.00 C ATOM 0 H THR B 4 3.433 3.838 5.265 1.00 0.00 H new ATOM 0 HA THR B 4 0.743 4.048 4.786 1.00 0.00 H new ATOM 0 HB THR B 4 0.901 6.233 6.111 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.794 6.350 7.426 1.00 0.00 H new ATOM 0 HG21 THR B 4 1.072 4.899 8.233 1.00 0.00 H new ATOM 0 HG22 THR B 4 0.073 4.075 7.012 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.744 3.537 7.305 1.00 0.00 H new ATOM 549 N ARG B 5 2.540 6.388 3.182 1.00 0.00 N ATOM 550 CA ARG B 5 2.527 7.363 2.084 1.00 0.00 C ATOM 551 C ARG B 5 1.784 6.806 0.858 1.00 0.00 C ATOM 552 O ARG B 5 0.854 7.447 0.360 1.00 0.00 O ATOM 553 CB ARG B 5 3.970 7.799 1.669 1.00 0.00 C ATOM 554 CG ARG B 5 4.717 8.788 2.593 1.00 0.00 C ATOM 555 CD ARG B 5 4.152 10.221 2.624 1.00 0.00 C ATOM 556 NE ARG B 5 5.157 11.106 3.315 1.00 0.00 N ATOM 557 CZ ARG B 5 4.994 12.438 3.605 1.00 0.00 C ATOM 558 NH1 ARG B 5 3.831 13.114 3.372 1.00 0.00 N ATOM 559 NH2 ARG B 5 6.056 13.108 4.147 1.00 0.00 N ATOM 0 H ARG B 5 3.478 6.232 3.551 1.00 0.00 H new ATOM 0 HA ARG B 5 1.999 8.242 2.454 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.579 6.899 1.579 1.00 0.00 H new ATOM 0 HB3 ARG B 5 3.913 8.246 0.676 1.00 0.00 H new ATOM 0 HG2 ARG B 5 4.706 8.390 3.608 1.00 0.00 H new ATOM 0 HG3 ARG B 5 5.760 8.834 2.280 1.00 0.00 H new ATOM 0 HD2 ARG B 5 3.964 10.578 1.611 1.00 0.00 H new ATOM 0 HD3 ARG B 5 3.199 10.243 3.152 1.00 0.00 H new ATOM 0 HE ARG B 5 6.039 10.676 3.593 1.00 0.00 H new ATOM 0 HH11 ARG B 5 3.032 12.629 2.964 1.00 0.00 H new ATOM 0 HH12 ARG B 5 3.761 14.104 3.606 1.00 0.00 H new ATOM 0 HH21 ARG B 5 6.933 12.617 4.323 1.00 0.00 H new ATOM 0 HH22 ARG B 5 5.971 14.099 4.375 1.00 0.00 H new ATOM 573 N ARG B 6 2.158 5.569 0.408 1.00 0.00 N ATOM 574 CA ARG B 6 1.565 4.791 -0.664 1.00 0.00 C ATOM 575 C ARG B 6 0.107 4.459 -0.297 1.00 0.00 C ATOM 576 O ARG B 6 -0.803 4.819 -1.049 1.00 0.00 O ATOM 577 CB ARG B 6 2.426 3.510 -0.930 1.00 0.00 C ATOM 578 CG ARG B 6 1.789 2.424 -1.827 1.00 0.00 C ATOM 579 CD ARG B 6 2.646 1.161 -1.982 1.00 0.00 C ATOM 580 NE ARG B 6 1.800 0.040 -2.529 1.00 0.00 N ATOM 581 CZ ARG B 6 1.450 -0.137 -3.843 1.00 0.00 C ATOM 582 NH1 ARG B 6 1.754 0.772 -4.816 1.00 0.00 N ATOM 583 NH2 ARG B 6 0.765 -1.267 -4.195 1.00 0.00 N ATOM 0 H ARG B 6 2.943 5.076 0.834 1.00 0.00 H new ATOM 0 HA ARG B 6 1.552 5.363 -1.592 1.00 0.00 H new ATOM 0 HB2 ARG B 6 3.367 3.820 -1.385 1.00 0.00 H new ATOM 0 HB3 ARG B 6 2.671 3.058 0.031 1.00 0.00 H new ATOM 0 HG2 ARG B 6 0.821 2.145 -1.410 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.601 2.847 -2.814 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.484 1.358 -2.651 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.068 0.875 -1.018 1.00 0.00 H new ATOM 0 HE ARG B 6 1.456 -0.650 -1.861 1.00 0.00 H new ATOM 0 HH11 ARG B 6 2.262 1.624 -4.577 1.00 0.00 H new ATOM 0 HH12 ARG B 6 1.474 0.599 -5.781 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.524 -1.959 -3.486 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.495 -1.418 -5.167 1.00 0.00 H new ATOM 597 N HIS B 7 -0.122 3.762 0.867 1.00 0.00 N ATOM 598 CA HIS B 7 -1.384 3.325 1.434 1.00 0.00 C ATOM 599 C HIS B 7 -2.456 4.403 1.414 1.00 0.00 C ATOM 600 O HIS B 7 -3.504 4.134 0.853 1.00 0.00 O ATOM 601 CB HIS B 7 -1.239 2.732 2.865 1.00 0.00 C ATOM 602 CG HIS B 7 -2.516 2.200 3.458 1.00 0.00 C ATOM 603 ND1 HIS B 7 -3.563 2.879 3.978 1.00 0.00 N flip ATOM 604 CD2 HIS B 7 -2.819 0.870 3.546 1.00 0.00 C flip ATOM 605 CE1 HIS B 7 -4.480 1.957 4.393 1.00 0.00 C flip ATOM 606 NE2 HIS B 7 -4.012 0.753 4.111 1.00 0.00 N flip ATOM 0 H HIS B 7 0.660 3.483 1.460 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.713 2.522 0.775 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.504 1.927 2.837 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -0.842 3.503 3.525 1.00 0.00 H new ATOM 0 HD1 HIS B 7 -3.651 3.893 4.047 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -2.194 0.055 3.213 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -5.425 2.174 4.869 1.00 0.00 H new ATOM 615 N GLU B 8 -2.228 5.624 1.989 1.00 0.00 N ATOM 616 CA GLU B 8 -3.117 6.785 2.065 1.00 0.00 C ATOM 617 C GLU B 8 -3.946 6.993 0.787 1.00 0.00 C ATOM 618 O GLU B 8 -5.175 6.916 0.857 1.00 0.00 O ATOM 619 CB GLU B 8 -2.336 8.085 2.467 1.00 0.00 C ATOM 620 CG GLU B 8 -2.002 8.206 3.976 1.00 0.00 C ATOM 621 CD GLU B 8 -1.065 9.390 4.238 1.00 0.00 C ATOM 622 OE1 GLU B 8 -1.527 10.559 4.133 1.00 0.00 O ATOM 623 OE2 GLU B 8 0.128 9.137 4.557 1.00 0.00 O ATOM 0 H GLU B 8 -1.336 5.818 2.444 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.833 6.569 2.858 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.406 8.122 1.900 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -2.926 8.952 2.170 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -2.922 8.333 4.547 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -1.535 7.284 4.324 1.00 0.00 H new ATOM 630 N ARG B 9 -3.296 7.218 -0.400 1.00 0.00 N ATOM 631 CA ARG B 9 -3.949 7.391 -1.698 1.00 0.00 C ATOM 632 C ARG B 9 -4.648 6.112 -2.185 1.00 0.00 C ATOM 633 O ARG B 9 -5.838 6.160 -2.502 1.00 0.00 O ATOM 634 CB ARG B 9 -3.083 8.065 -2.806 1.00 0.00 C ATOM 635 CG ARG B 9 -1.757 7.362 -3.153 1.00 0.00 C ATOM 636 CD ARG B 9 -0.942 8.046 -4.262 1.00 0.00 C ATOM 637 NE ARG B 9 0.338 7.276 -4.467 1.00 0.00 N ATOM 638 CZ ARG B 9 1.553 7.566 -3.897 1.00 0.00 C ATOM 639 NH1 ARG B 9 1.752 8.616 -3.049 1.00 0.00 N ATOM 640 NH2 ARG B 9 2.612 6.757 -4.201 1.00 0.00 N ATOM 0 H ARG B 9 -2.280 7.282 -0.458 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.727 8.128 -1.498 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -3.682 8.135 -3.714 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -2.859 9.085 -2.493 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -1.145 7.305 -2.253 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -1.973 6.338 -3.458 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -1.516 8.078 -5.188 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -0.722 9.078 -3.988 1.00 0.00 H new ATOM 0 HE ARG B 9 0.298 6.466 -5.085 1.00 0.00 H new ATOM 0 HH11 ARG B 9 0.975 9.233 -2.810 1.00 0.00 H new ATOM 0 HH12 ARG B 9 2.677 8.784 -2.654 1.00 0.00 H new ATOM 0 HH21 ARG B 9 2.485 5.967 -4.834 1.00 0.00 H new ATOM 0 HH22 ARG B 9 3.529 6.943 -3.795 1.00 0.00 H new ATOM 654 N ARG B 10 -3.931 4.942 -2.229 1.00 0.00 N ATOM 655 CA ARG B 10 -4.396 3.611 -2.632 1.00 0.00 C ATOM 656 C ARG B 10 -5.679 3.204 -1.883 1.00 0.00 C ATOM 657 O ARG B 10 -6.635 2.780 -2.528 1.00 0.00 O ATOM 658 CB ARG B 10 -3.217 2.584 -2.461 1.00 0.00 C ATOM 659 CG ARG B 10 -3.454 1.081 -2.773 1.00 0.00 C ATOM 660 CD ARG B 10 -2.159 0.230 -2.678 1.00 0.00 C ATOM 661 NE ARG B 10 -2.439 -1.262 -2.651 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.642 -2.090 -3.722 1.00 0.00 C ATOM 663 NH1 ARG B 10 -2.690 -1.655 -5.011 1.00 0.00 N ATOM 664 NH2 ARG B 10 -2.771 -3.429 -3.458 1.00 0.00 N ATOM 0 H ARG B 10 -2.947 4.926 -1.961 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.679 3.622 -3.685 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -2.396 2.922 -3.093 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -2.873 2.652 -1.429 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.195 0.684 -2.079 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -3.872 0.985 -3.775 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.515 0.459 -3.527 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -1.611 0.509 -1.778 1.00 0.00 H new ATOM 0 HE ARG B 10 -2.481 -1.697 -1.729 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -2.571 -0.664 -5.219 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -2.844 -2.320 -5.768 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -2.714 -3.767 -2.497 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -2.924 -4.087 -4.222 1.00 0.00 H new ATOM 678 N ARG B 11 -5.732 3.379 -0.525 1.00 0.00 N ATOM 679 CA ARG B 11 -6.808 3.169 0.434 1.00 0.00 C ATOM 680 C ARG B 11 -8.060 3.865 -0.070 1.00 0.00 C ATOM 681 O ARG B 11 -9.033 3.158 -0.312 1.00 0.00 O ATOM 682 CB ARG B 11 -6.386 3.604 1.869 1.00 0.00 C ATOM 683 CG ARG B 11 -7.425 3.459 3.001 1.00 0.00 C ATOM 684 CD ARG B 11 -7.336 4.569 4.060 1.00 0.00 C ATOM 685 NE ARG B 11 -8.351 4.298 5.148 1.00 0.00 N ATOM 686 CZ ARG B 11 -8.109 3.666 6.344 1.00 0.00 C ATOM 687 NH1 ARG B 11 -6.873 3.216 6.711 1.00 0.00 N ATOM 688 NH2 ARG B 11 -9.159 3.476 7.200 1.00 0.00 N ATOM 0 H ARG B 11 -4.900 3.715 -0.040 1.00 0.00 H new ATOM 0 HA ARG B 11 -7.031 2.105 0.517 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.504 3.027 2.148 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.082 4.650 1.826 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.425 3.460 2.568 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.289 2.493 3.487 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.332 4.605 4.483 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.525 5.540 3.603 1.00 0.00 H new ATOM 0 HE ARG B 11 -9.306 4.614 4.978 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -6.077 3.343 6.085 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -6.745 2.753 7.611 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -10.091 3.800 6.943 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -9.010 3.010 8.095 1.00 0.00 H new ATOM 702 N LYS B 12 -8.060 5.227 -0.272 1.00 0.00 N ATOM 703 CA LYS B 12 -9.174 6.031 -0.792 1.00 0.00 C ATOM 704 C LYS B 12 -9.864 5.348 -1.978 1.00 0.00 C ATOM 705 O LYS B 12 -11.066 5.086 -1.906 1.00 0.00 O ATOM 706 CB LYS B 12 -8.806 7.511 -1.138 1.00 0.00 C ATOM 707 CG LYS B 12 -8.406 8.381 0.080 1.00 0.00 C ATOM 708 CD LYS B 12 -8.090 9.857 -0.249 1.00 0.00 C ATOM 709 CE LYS B 12 -7.744 10.710 0.986 1.00 0.00 C ATOM 710 NZ LYS B 12 -7.491 12.120 0.606 1.00 0.00 N ATOM 0 H LYS B 12 -7.240 5.797 -0.062 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.878 6.091 0.038 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -7.982 7.509 -1.852 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.657 7.976 -1.635 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -9.215 8.352 0.810 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.532 7.935 0.555 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -7.255 9.893 -0.949 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -8.949 10.299 -0.755 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -8.563 10.665 1.704 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -6.863 10.300 1.480 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -7.260 12.673 1.456 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -6.694 12.162 -0.061 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -8.341 12.516 0.156 1.00 0.00 H new ATOM 724 N LEU B 13 -9.099 4.997 -3.057 1.00 0.00 N ATOM 725 CA LEU B 13 -9.567 4.301 -4.253 1.00 0.00 C ATOM 726 C LEU B 13 -10.103 2.916 -3.976 1.00 0.00 C ATOM 727 O LEU B 13 -11.241 2.647 -4.357 1.00 0.00 O ATOM 728 CB LEU B 13 -8.588 4.285 -5.439 1.00 0.00 C ATOM 729 CG LEU B 13 -8.284 5.689 -6.049 1.00 0.00 C ATOM 730 CD1 LEU B 13 -9.483 6.694 -6.095 1.00 0.00 C ATOM 731 CD2 LEU B 13 -6.981 6.303 -5.470 1.00 0.00 C ATOM 0 H LEU B 13 -8.102 5.209 -3.098 1.00 0.00 H new ATOM 0 HA LEU B 13 -10.401 4.925 -4.573 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -7.651 3.834 -5.113 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -8.995 3.644 -6.221 1.00 0.00 H new ATOM 0 HG LEU B 13 -8.109 5.490 -7.106 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -9.153 7.634 -6.538 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -10.288 6.272 -6.696 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -9.843 6.877 -5.083 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.807 7.280 -5.922 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -7.080 6.415 -4.390 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -6.140 5.646 -5.691 1.00 0.00 H new ATOM 743 N ALA B 14 -9.316 2.036 -3.287 1.00 0.00 N ATOM 744 CA ALA B 14 -9.644 0.679 -2.874 1.00 0.00 C ATOM 745 C ALA B 14 -10.988 0.633 -2.180 1.00 0.00 C ATOM 746 O ALA B 14 -11.826 -0.192 -2.555 1.00 0.00 O ATOM 747 CB ALA B 14 -8.605 0.066 -1.919 1.00 0.00 C ATOM 0 H ALA B 14 -8.374 2.297 -2.996 1.00 0.00 H new ATOM 0 HA ALA B 14 -9.658 0.096 -3.795 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -8.910 -0.945 -1.650 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.633 0.033 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.535 0.675 -1.018 1.00 0.00 H new ATOM 753 N ILE B 15 -11.228 1.560 -1.187 1.00 0.00 N ATOM 754 CA ILE B 15 -12.481 1.691 -0.476 1.00 0.00 C ATOM 755 C ILE B 15 -13.582 1.964 -1.510 1.00 0.00 C ATOM 756 O ILE B 15 -14.516 1.171 -1.623 1.00 0.00 O ATOM 757 CB ILE B 15 -12.639 2.683 0.703 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.470 2.773 1.731 1.00 0.00 C ATOM 759 CG2 ILE B 15 -13.936 2.264 1.438 1.00 0.00 C ATOM 760 CD1 ILE B 15 -11.072 4.220 1.963 1.00 0.00 C ATOM 0 H ILE B 15 -10.523 2.230 -0.881 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.542 0.739 0.052 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.656 3.682 0.267 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.772 2.318 2.674 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.612 2.209 1.365 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.105 2.929 2.285 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.780 2.329 0.752 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.837 1.239 1.795 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.255 4.262 2.683 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.749 4.664 1.021 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -11.926 4.775 2.351 1.00 0.00 H new ATOM 772 N GLU B 16 -13.457 3.098 -2.269 1.00 0.00 N ATOM 773 CA GLU B 16 -14.382 3.572 -3.286 1.00 0.00 C ATOM 774 C GLU B 16 -14.677 2.581 -4.453 1.00 0.00 C ATOM 775 O GLU B 16 -15.591 2.840 -5.243 1.00 0.00 O ATOM 776 CB GLU B 16 -13.919 4.950 -3.891 1.00 0.00 C ATOM 777 CG GLU B 16 -14.002 6.158 -2.921 1.00 0.00 C ATOM 778 CD GLU B 16 -13.419 7.419 -3.568 1.00 0.00 C ATOM 779 OE1 GLU B 16 -14.064 7.970 -4.500 1.00 0.00 O ATOM 780 OE2 GLU B 16 -12.320 7.853 -3.126 1.00 0.00 O ATOM 0 H GLU B 16 -12.657 3.721 -2.162 1.00 0.00 H new ATOM 0 HA GLU B 16 -15.318 3.681 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -12.889 4.850 -4.234 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -14.528 5.166 -4.769 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -15.041 6.335 -2.642 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -13.459 5.931 -2.003 1.00 0.00 H new ATOM 787 N ARG B 17 -13.956 1.418 -4.559 1.00 0.00 N ATOM 788 CA ARG B 17 -14.149 0.336 -5.524 1.00 0.00 C ATOM 789 C ARG B 17 -15.204 -0.606 -4.939 1.00 0.00 C ATOM 790 O ARG B 17 -16.242 -0.826 -5.569 1.00 0.00 O ATOM 791 CB ARG B 17 -12.850 -0.447 -5.916 1.00 0.00 C ATOM 792 CG ARG B 17 -11.837 0.351 -6.771 1.00 0.00 C ATOM 793 CD ARG B 17 -10.495 -0.359 -7.020 1.00 0.00 C ATOM 794 NE ARG B 17 -9.596 0.596 -7.770 1.00 0.00 N ATOM 795 CZ ARG B 17 -8.232 0.487 -7.892 1.00 0.00 C ATOM 796 NH1 ARG B 17 -7.518 -0.541 -7.346 1.00 0.00 N ATOM 797 NH2 ARG B 17 -7.564 1.453 -8.594 1.00 0.00 N ATOM 0 H ARG B 17 -13.183 1.221 -3.924 1.00 0.00 H new ATOM 0 HA ARG B 17 -14.472 0.782 -6.465 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -12.353 -0.775 -5.003 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -13.137 -1.345 -6.464 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -12.295 0.577 -7.734 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -11.641 1.304 -6.280 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -10.037 -0.651 -6.075 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -10.647 -1.272 -7.596 1.00 0.00 H new ATOM 0 HE ARG B 17 -10.041 1.392 -8.226 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -7.997 -1.272 -6.820 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -6.506 -0.578 -7.464 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -8.079 2.229 -9.011 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -6.551 1.397 -8.701 1.00 0.00 H new ATOM 811 N ASP B 18 -14.949 -1.144 -3.705 1.00 0.00 N ATOM 812 CA ASP B 18 -15.789 -2.029 -2.897 1.00 0.00 C ATOM 813 C ASP B 18 -17.189 -1.444 -2.658 1.00 0.00 C ATOM 814 O ASP B 18 -18.187 -2.129 -2.893 1.00 0.00 O ATOM 815 CB ASP B 18 -15.137 -2.409 -1.523 1.00 0.00 C ATOM 816 CG ASP B 18 -13.836 -3.210 -1.682 1.00 0.00 C ATOM 817 OD1 ASP B 18 -13.890 -4.342 -2.232 1.00 0.00 O ATOM 818 OD2 ASP B 18 -12.773 -2.700 -1.236 1.00 0.00 O ATOM 0 H ASP B 18 -14.071 -0.940 -3.228 1.00 0.00 H new ATOM 0 HA ASP B 18 -15.885 -2.941 -3.486 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -14.931 -1.499 -0.960 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -15.848 -2.992 -0.938 1.00 0.00 H new ATOM 823 N THR B 19 -17.253 -0.155 -2.206 1.00 0.00 N ATOM 824 CA THR B 19 -18.399 0.710 -1.909 1.00 0.00 C ATOM 825 C THR B 19 -19.545 0.540 -2.939 1.00 0.00 C ATOM 826 O THR B 19 -20.672 0.190 -2.494 1.00 0.00 O ATOM 827 CB THR B 19 -18.000 2.199 -1.818 1.00 0.00 C ATOM 828 OG1 THR B 19 -17.314 2.610 -2.981 1.00 0.00 O ATOM 829 CG2 THR B 19 -17.218 2.515 -0.520 1.00 0.00 C ATOM 830 OXT THR B 19 -19.316 0.743 -4.163 1.00 0.00 O ATOM 0 H THR B 19 -16.384 0.348 -2.024 1.00 0.00 H new ATOM 0 HA THR B 19 -18.762 0.390 -0.932 1.00 0.00 H new ATOM 0 HB THR B 19 -18.917 2.786 -1.762 1.00 0.00 H new ATOM 0 HG1 THR B 19 -17.702 2.166 -3.764 1.00 0.00 H new ATOM 0 HG21 THR B 19 -16.959 3.574 -0.500 1.00 0.00 H new ATOM 0 HG22 THR B 19 -17.837 2.277 0.345 1.00 0.00 H new ATOM 0 HG23 THR B 19 -16.307 1.918 -0.490 1.00 0.00 H new TER 838 THR B 19