USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 516 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 NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Set 1.1: A 37 LYS NZ :NH3+ 161:sc= -2.54! (180deg=-3.53!) USER MOD Set 1.2: B 519 U O2' : rot -36:sc= -0.0225 USER MOD Set 2.1: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 518 U O2' : rot -16:sc= 0.47 USER MOD Single : A 1 ALA N :NH3+ 139:sc= 0.0157 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.0183 X(o=-0.018,f=-0.022) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.758 X(o=-0.76,f=-0.38) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0135 X(o=-0.013,f=-0.0072) USER MOD Single : A 25 GLN : amide:sc= -0.632 K(o=-0.63,f=-1.4!) USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= 0.00178 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= 1.27 (180deg=0.611) USER MOD Single : A 42 LYS NZ :NH3+ -158:sc= 1.37 (180deg=0.911) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : B 517 U O2' : rot -26:sc= 0.376 USER MOD Single : B 520 U O2' : rot -27:sc= 0.474 USER MOD Single : B 521 G O2' : rot -18:sc= 0.0843 USER MOD Single : B 522 C O2' : rot -30:sc= 0.425 USER MOD Single : B 523 U O2' : rot -21:sc= 0.412 USER MOD Single : B 523 U O3' : rot 180:sc= 0.339 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.811 31.697 16.353 1.00 0.00 N ATOM 2 CA ALA A 1 8.434 30.628 15.446 1.00 0.00 C ATOM 3 C ALA A 1 7.827 31.230 14.177 1.00 0.00 C ATOM 4 O ALA A 1 6.999 32.136 14.251 1.00 0.00 O ATOM 5 CB ALA A 1 7.473 29.670 16.154 1.00 0.00 C ATOM 0 H1 ALA A 1 8.561 31.431 17.327 1.00 0.00 H new ATOM 0 H2 ALA A 1 9.836 31.859 16.291 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.306 32.568 16.092 1.00 0.00 H new ATOM 0 HA ALA A 1 9.310 30.051 15.150 1.00 0.00 H new ATOM 0 HB1 ALA A 1 7.191 28.868 15.472 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.962 29.246 17.031 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.580 30.213 16.464 1.00 0.00 H new ATOM 11 N THR A 2 8.263 30.703 13.043 1.00 0.00 N ATOM 12 CA THR A 2 7.773 31.179 11.760 1.00 0.00 C ATOM 13 C THR A 2 7.497 29.999 10.825 1.00 0.00 C ATOM 14 O THR A 2 8.238 29.018 10.822 1.00 0.00 O ATOM 15 CB THR A 2 8.795 32.170 11.201 1.00 0.00 C ATOM 16 OG1 THR A 2 8.599 33.347 11.980 1.00 0.00 O ATOM 17 CG2 THR A 2 8.464 32.610 9.773 1.00 0.00 C ATOM 0 H THR A 2 8.950 29.951 12.985 1.00 0.00 H new ATOM 0 HA THR A 2 6.821 31.699 11.868 1.00 0.00 H new ATOM 0 HB THR A 2 9.787 31.718 11.221 1.00 0.00 H new ATOM 0 HG1 THR A 2 9.224 34.042 11.685 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.221 33.313 9.424 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.449 31.739 9.118 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.487 33.092 9.758 1.00 0.00 H new ATOM 25 N VAL A 3 6.427 30.135 10.053 1.00 0.00 N ATOM 26 CA VAL A 3 6.044 29.093 9.116 1.00 0.00 C ATOM 27 C VAL A 3 5.649 29.733 7.784 1.00 0.00 C ATOM 28 O VAL A 3 4.883 30.695 7.756 1.00 0.00 O ATOM 29 CB VAL A 3 4.933 28.231 9.718 1.00 0.00 C ATOM 30 CG1 VAL A 3 5.418 27.516 10.981 1.00 0.00 C ATOM 31 CG2 VAL A 3 3.684 29.067 10.006 1.00 0.00 C ATOM 0 H VAL A 3 5.815 30.951 10.058 1.00 0.00 H new ATOM 0 HA VAL A 3 6.884 28.426 8.921 1.00 0.00 H new ATOM 0 HB VAL A 3 4.664 27.471 8.985 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.609 26.910 11.389 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.263 26.874 10.734 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.727 28.254 11.721 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.910 28.429 10.433 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.932 29.860 10.712 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.319 29.508 9.078 1.00 0.00 H new ATOM 41 N VAL A 4 6.188 29.173 6.712 1.00 0.00 N ATOM 42 CA VAL A 4 5.902 29.677 5.379 1.00 0.00 C ATOM 43 C VAL A 4 6.433 28.687 4.339 1.00 0.00 C ATOM 44 O VAL A 4 7.603 28.312 4.374 1.00 0.00 O ATOM 45 CB VAL A 4 6.482 31.083 5.215 1.00 0.00 C ATOM 46 CG1 VAL A 4 8.004 31.069 5.366 1.00 0.00 C ATOM 47 CG2 VAL A 4 6.069 31.693 3.875 1.00 0.00 C ATOM 0 H VAL A 4 6.822 28.374 6.739 1.00 0.00 H new ATOM 0 HA VAL A 4 4.826 29.764 5.227 1.00 0.00 H new ATOM 0 HB VAL A 4 6.073 31.709 6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.391 32.081 5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.268 30.695 6.355 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.439 30.421 4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.494 32.692 3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.436 31.067 3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.982 31.755 3.823 1.00 0.00 H new ATOM 57 N SER A 5 5.544 28.291 3.439 1.00 0.00 N ATOM 58 CA SER A 5 5.907 27.351 2.392 1.00 0.00 C ATOM 59 C SER A 5 5.183 27.710 1.094 1.00 0.00 C ATOM 60 O SER A 5 4.110 28.309 1.122 1.00 0.00 O ATOM 61 CB SER A 5 5.581 25.915 2.803 1.00 0.00 C ATOM 62 OG SER A 5 4.189 25.630 2.689 1.00 0.00 O ATOM 0 H SER A 5 4.574 28.604 3.414 1.00 0.00 H new ATOM 0 HA SER A 5 6.983 27.417 2.231 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.145 25.222 2.179 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.902 25.751 3.832 1.00 0.00 H new ATOM 0 HG SER A 5 4.022 24.703 2.959 1.00 0.00 H new ATOM 68 N GLY A 6 5.800 27.328 -0.016 1.00 0.00 N ATOM 69 CA GLY A 6 5.228 27.602 -1.323 1.00 0.00 C ATOM 70 C GLY A 6 5.029 26.310 -2.116 1.00 0.00 C ATOM 71 O GLY A 6 5.917 25.460 -2.157 1.00 0.00 O ATOM 0 H GLY A 6 6.690 26.831 -0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.272 28.112 -1.206 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.882 28.275 -1.876 1.00 0.00 H new ATOM 75 N GLN A 7 3.859 26.202 -2.727 1.00 0.00 N ATOM 76 CA GLN A 7 3.532 25.027 -3.518 1.00 0.00 C ATOM 77 C GLN A 7 2.947 25.442 -4.869 1.00 0.00 C ATOM 78 O GLN A 7 2.353 26.511 -4.989 1.00 0.00 O ATOM 79 CB GLN A 7 2.571 24.107 -2.762 1.00 0.00 C ATOM 80 CG GLN A 7 3.333 23.163 -1.830 1.00 0.00 C ATOM 81 CD GLN A 7 3.005 21.701 -2.144 1.00 0.00 C ATOM 82 OE1 GLN A 7 3.200 21.218 -3.247 1.00 0.00 O ATOM 83 NE2 GLN A 7 2.500 21.028 -1.115 1.00 0.00 N ATOM 0 H GLN A 7 3.125 26.909 -2.691 1.00 0.00 H new ATOM 0 HA GLN A 7 4.450 24.468 -3.699 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.868 24.706 -2.183 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.984 23.526 -3.473 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.405 23.330 -1.935 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.076 23.383 -0.794 1.00 0.00 H new ATOM 0 HE21 GLN A 7 2.363 21.495 -0.218 1.00 0.00 H new ATOM 0 HE22 GLN A 7 2.250 20.045 -1.222 1.00 0.00 H new ATOM 92 N LYS A 8 3.136 24.573 -5.852 1.00 0.00 N ATOM 93 CA LYS A 8 2.633 24.836 -7.190 1.00 0.00 C ATOM 94 C LYS A 8 2.458 23.510 -7.933 1.00 0.00 C ATOM 95 O LYS A 8 3.116 22.523 -7.611 1.00 0.00 O ATOM 96 CB LYS A 8 3.539 25.833 -7.915 1.00 0.00 C ATOM 97 CG LYS A 8 4.899 25.208 -8.233 1.00 0.00 C ATOM 98 CD LYS A 8 5.814 26.215 -8.935 1.00 0.00 C ATOM 99 CE LYS A 8 6.700 25.520 -9.971 1.00 0.00 C ATOM 100 NZ LYS A 8 8.101 25.464 -9.499 1.00 0.00 N ATOM 0 H LYS A 8 3.630 23.687 -5.749 1.00 0.00 H new ATOM 0 HA LYS A 8 1.651 25.308 -7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.060 26.160 -8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.678 26.720 -7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.370 24.864 -7.312 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.762 24.332 -8.867 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.211 26.982 -9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.438 26.721 -8.198 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.331 24.511 -10.155 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.650 26.056 -10.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.689 24.989 -10.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.454 26.430 -9.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.145 24.933 -8.606 1.00 0.00 H new ATOM 114 N GLN A 9 1.568 23.532 -8.914 1.00 0.00 N ATOM 115 CA GLN A 9 1.298 22.344 -9.706 1.00 0.00 C ATOM 116 C GLN A 9 0.524 22.716 -10.973 1.00 0.00 C ATOM 117 O GLN A 9 -0.646 23.089 -10.902 1.00 0.00 O ATOM 118 CB GLN A 9 0.540 21.299 -8.887 1.00 0.00 C ATOM 119 CG GLN A 9 0.935 19.881 -9.305 1.00 0.00 C ATOM 120 CD GLN A 9 0.146 19.434 -10.537 1.00 0.00 C ATOM 121 OE1 GLN A 9 -1.061 19.593 -10.625 1.00 0.00 O ATOM 122 NE2 GLN A 9 0.892 18.867 -11.480 1.00 0.00 N ATOM 0 H GLN A 9 1.025 24.354 -9.179 1.00 0.00 H new ATOM 0 HA GLN A 9 2.250 21.904 -10.001 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.750 21.441 -7.827 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.533 21.436 -9.021 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.003 19.845 -9.520 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.752 19.191 -8.481 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.897 18.765 -11.342 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.459 18.534 -12.341 1.00 0.00 H new ATOM 131 N ASP A 10 1.208 22.601 -12.101 1.00 0.00 N ATOM 132 CA ASP A 10 0.600 22.920 -13.382 1.00 0.00 C ATOM 133 C ASP A 10 1.363 22.203 -14.497 1.00 0.00 C ATOM 134 O ASP A 10 2.590 22.124 -14.462 1.00 0.00 O ATOM 135 CB ASP A 10 0.655 24.423 -13.659 1.00 0.00 C ATOM 136 CG ASP A 10 -0.482 24.964 -14.527 1.00 0.00 C ATOM 137 OD1 ASP A 10 -0.587 24.496 -15.682 1.00 0.00 O ATOM 138 OD2 ASP A 10 -1.222 25.832 -14.018 1.00 0.00 O ATOM 0 H ASP A 10 2.178 22.291 -12.155 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.441 22.598 -13.351 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.648 24.953 -12.706 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.603 24.653 -14.145 1.00 0.00 H new ATOM 143 N ARG A 11 0.606 21.701 -15.461 1.00 0.00 N ATOM 144 CA ARG A 11 1.195 20.993 -16.585 1.00 0.00 C ATOM 145 C ARG A 11 0.596 21.494 -17.901 1.00 0.00 C ATOM 146 O ARG A 11 -0.615 21.687 -18.001 1.00 0.00 O ATOM 147 CB ARG A 11 0.967 19.486 -16.469 1.00 0.00 C ATOM 148 CG ARG A 11 2.297 18.731 -16.426 1.00 0.00 C ATOM 149 CD ARG A 11 2.515 18.081 -15.059 1.00 0.00 C ATOM 150 NE ARG A 11 2.339 16.615 -15.162 1.00 0.00 N ATOM 151 CZ ARG A 11 2.031 15.820 -14.128 1.00 0.00 C ATOM 152 NH1 ARG A 11 1.862 16.346 -12.906 1.00 0.00 N ATOM 153 NH2 ARG A 11 1.891 14.501 -14.314 1.00 0.00 N ATOM 0 H ARG A 11 -0.411 21.771 -15.487 1.00 0.00 H new ATOM 0 HA ARG A 11 2.267 21.187 -16.573 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.393 19.270 -15.568 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.375 19.138 -17.315 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.310 17.966 -17.202 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.116 19.417 -16.641 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.516 18.311 -14.693 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.810 18.490 -14.336 1.00 0.00 H new ATOM 0 HE ARG A 11 2.460 16.182 -16.078 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.968 17.351 -12.764 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.628 15.742 -12.119 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.019 14.101 -15.243 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.657 13.897 -13.526 1.00 0.00 H new ATOM 167 N GLN A 12 1.470 21.689 -18.877 1.00 0.00 N ATOM 168 CA GLN A 12 1.041 22.163 -20.182 1.00 0.00 C ATOM 169 C GLN A 12 0.656 20.982 -21.075 1.00 0.00 C ATOM 170 O GLN A 12 1.140 19.868 -20.882 1.00 0.00 O ATOM 171 CB GLN A 12 2.128 23.015 -20.840 1.00 0.00 C ATOM 172 CG GLN A 12 3.359 22.170 -21.176 1.00 0.00 C ATOM 173 CD GLN A 12 4.430 23.014 -21.871 1.00 0.00 C ATOM 174 OE1 GLN A 12 4.446 24.231 -21.791 1.00 0.00 O ATOM 175 NE2 GLN A 12 5.321 22.301 -22.554 1.00 0.00 N ATOM 0 H GLN A 12 2.473 21.527 -18.791 1.00 0.00 H new ATOM 0 HA GLN A 12 0.162 22.794 -20.047 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.737 23.471 -21.749 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.412 23.828 -20.172 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.768 21.737 -20.263 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.070 21.340 -21.821 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.249 21.284 -22.579 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.076 22.771 -23.052 1.00 0.00 H new ATOM 184 N GLY A 13 -0.214 21.265 -22.034 1.00 0.00 N ATOM 185 CA GLY A 13 -0.670 20.240 -22.957 1.00 0.00 C ATOM 186 C GLY A 13 -2.197 20.238 -23.062 1.00 0.00 C ATOM 187 O GLY A 13 -2.844 19.244 -22.734 1.00 0.00 O ATOM 0 H GLY A 13 -0.615 22.190 -22.191 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.234 20.412 -23.941 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.324 19.263 -22.621 1.00 0.00 H new ATOM 191 N GLY A 14 -2.728 21.362 -23.520 1.00 0.00 N ATOM 192 CA GLY A 14 -4.167 21.502 -23.673 1.00 0.00 C ATOM 193 C GLY A 14 -4.614 21.082 -25.074 1.00 0.00 C ATOM 194 O GLY A 14 -4.404 21.813 -26.041 1.00 0.00 O ATOM 0 H GLY A 14 -2.188 22.184 -23.790 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.676 20.892 -22.927 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.457 22.537 -23.490 1.00 0.00 H new ATOM 198 N GLU A 15 -5.220 19.906 -25.140 1.00 0.00 N ATOM 199 CA GLU A 15 -5.698 19.381 -26.407 1.00 0.00 C ATOM 200 C GLU A 15 -7.212 19.565 -26.522 1.00 0.00 C ATOM 201 O GLU A 15 -7.690 20.264 -27.415 1.00 0.00 O ATOM 202 CB GLU A 15 -5.312 17.909 -26.572 1.00 0.00 C ATOM 203 CG GLU A 15 -3.875 17.773 -27.081 1.00 0.00 C ATOM 204 CD GLU A 15 -3.853 17.356 -28.553 1.00 0.00 C ATOM 205 OE1 GLU A 15 -4.750 16.574 -28.935 1.00 0.00 O ATOM 206 OE2 GLU A 15 -2.939 17.829 -29.262 1.00 0.00 O ATOM 0 H GLU A 15 -5.391 19.302 -24.336 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.221 19.941 -27.211 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.414 17.393 -25.617 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.996 17.426 -27.270 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.351 18.721 -26.960 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.341 17.035 -26.482 1.00 0.00 H new ATOM 213 N ARG A 16 -7.925 18.928 -25.606 1.00 0.00 N ATOM 214 CA ARG A 16 -9.376 19.014 -25.592 1.00 0.00 C ATOM 215 C ARG A 16 -9.960 18.307 -26.816 1.00 0.00 C ATOM 216 O ARG A 16 -9.742 18.735 -27.949 1.00 0.00 O ATOM 217 CB ARG A 16 -9.841 20.472 -25.584 1.00 0.00 C ATOM 218 CG ARG A 16 -10.936 20.692 -24.537 1.00 0.00 C ATOM 219 CD ARG A 16 -12.148 21.394 -25.151 1.00 0.00 C ATOM 220 NE ARG A 16 -12.069 22.851 -24.903 1.00 0.00 N ATOM 221 CZ ARG A 16 -12.787 23.766 -25.567 1.00 0.00 C ATOM 222 NH1 ARG A 16 -13.642 23.382 -26.525 1.00 0.00 N ATOM 223 NH2 ARG A 16 -12.650 25.067 -25.274 1.00 0.00 N ATOM 0 H ARG A 16 -7.525 18.349 -24.867 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.729 18.527 -24.683 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.995 21.126 -25.374 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.216 20.743 -26.571 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.241 19.733 -24.117 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.543 21.290 -23.715 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.186 21.201 -26.223 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.066 20.993 -24.722 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.427 23.179 -24.181 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.746 22.392 -26.749 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.189 24.079 -27.030 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.999 25.360 -24.545 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.197 25.764 -25.780 1.00 0.00 H new ATOM 237 N ARG A 17 -10.691 17.235 -26.547 1.00 0.00 N ATOM 238 CA ARG A 17 -11.309 16.463 -27.612 1.00 0.00 C ATOM 239 C ARG A 17 -12.048 15.255 -27.034 1.00 0.00 C ATOM 240 O ARG A 17 -11.482 14.494 -26.250 1.00 0.00 O ATOM 241 CB ARG A 17 -10.264 15.978 -28.618 1.00 0.00 C ATOM 242 CG ARG A 17 -10.720 16.243 -30.055 1.00 0.00 C ATOM 243 CD ARG A 17 -9.794 15.555 -31.060 1.00 0.00 C ATOM 244 NE ARG A 17 -10.169 15.941 -32.439 1.00 0.00 N ATOM 245 CZ ARG A 17 -11.179 15.390 -33.125 1.00 0.00 C ATOM 246 NH1 ARG A 17 -11.924 14.427 -32.564 1.00 0.00 N ATOM 247 NH2 ARG A 17 -11.447 15.803 -34.371 1.00 0.00 N ATOM 0 H ARG A 17 -10.869 16.883 -25.607 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.017 17.115 -28.125 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.316 16.483 -28.435 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.089 14.911 -28.479 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.740 15.882 -30.189 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.734 17.316 -30.244 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.759 15.834 -30.864 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.859 14.473 -30.946 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.624 16.672 -32.896 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.722 14.114 -31.615 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.693 14.008 -33.087 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.882 16.537 -34.798 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.216 15.383 -34.893 1.00 0.00 H new ATOM 261 N ARG A 18 -13.301 15.118 -27.441 1.00 0.00 N ATOM 262 CA ARG A 18 -14.124 14.016 -26.972 1.00 0.00 C ATOM 263 C ARG A 18 -15.145 13.624 -28.041 1.00 0.00 C ATOM 264 O ARG A 18 -16.350 13.771 -27.838 1.00 0.00 O ATOM 265 CB ARG A 18 -14.861 14.387 -25.684 1.00 0.00 C ATOM 266 CG ARG A 18 -13.874 14.670 -24.549 1.00 0.00 C ATOM 267 CD ARG A 18 -14.595 15.235 -23.324 1.00 0.00 C ATOM 268 NE ARG A 18 -14.559 16.714 -23.353 1.00 0.00 N ATOM 269 CZ ARG A 18 -15.210 17.498 -22.482 1.00 0.00 C ATOM 270 NH1 ARG A 18 -15.951 16.949 -21.510 1.00 0.00 N ATOM 271 NH2 ARG A 18 -15.119 18.831 -22.585 1.00 0.00 N ATOM 0 H ARG A 18 -13.767 15.752 -28.090 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.464 13.173 -26.769 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.483 15.265 -25.857 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.529 13.575 -25.396 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.353 13.752 -24.278 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.117 15.377 -24.888 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.628 14.888 -23.308 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.122 14.869 -22.413 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.005 17.165 -24.081 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.020 15.934 -21.433 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.446 17.546 -20.847 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.555 19.248 -23.326 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.614 19.429 -21.923 1.00 0.00 H new ATOM 285 N SER A 19 -14.627 13.132 -29.157 1.00 0.00 N ATOM 286 CA SER A 19 -15.480 12.718 -30.259 1.00 0.00 C ATOM 287 C SER A 19 -16.717 11.995 -29.721 1.00 0.00 C ATOM 288 O SER A 19 -16.661 10.804 -29.418 1.00 0.00 O ATOM 289 CB SER A 19 -14.720 11.816 -31.234 1.00 0.00 C ATOM 290 OG SER A 19 -14.608 12.403 -32.528 1.00 0.00 O ATOM 0 H SER A 19 -13.628 13.011 -29.322 1.00 0.00 H new ATOM 0 HA SER A 19 -15.796 13.609 -30.801 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.724 11.614 -30.840 1.00 0.00 H new ATOM 0 HB3 SER A 19 -15.231 10.857 -31.314 1.00 0.00 H new ATOM 0 HG SER A 19 -14.115 11.797 -33.120 1.00 0.00 H new ATOM 296 N GLN A 20 -17.803 12.746 -29.618 1.00 0.00 N ATOM 297 CA GLN A 20 -19.051 12.192 -29.121 1.00 0.00 C ATOM 298 C GLN A 20 -18.780 11.219 -27.972 1.00 0.00 C ATOM 299 O GLN A 20 -19.219 10.071 -28.009 1.00 0.00 O ATOM 300 CB GLN A 20 -19.833 11.508 -30.245 1.00 0.00 C ATOM 301 CG GLN A 20 -20.947 12.417 -30.769 1.00 0.00 C ATOM 302 CD GLN A 20 -21.998 11.609 -31.535 1.00 0.00 C ATOM 303 OE1 GLN A 20 -21.690 10.783 -32.378 1.00 0.00 O ATOM 304 NE2 GLN A 20 -23.252 11.894 -31.196 1.00 0.00 N ATOM 0 H GLN A 20 -17.845 13.733 -29.870 1.00 0.00 H new ATOM 0 HA GLN A 20 -19.663 13.010 -28.742 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -19.156 11.250 -31.059 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -20.262 10.575 -29.879 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.419 12.937 -29.936 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -20.522 13.180 -31.422 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -23.440 12.597 -30.481 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -24.026 11.409 -31.651 1.00 0.00 H new ATOM 313 N LEU A 21 -18.058 11.714 -26.978 1.00 0.00 N ATOM 314 CA LEU A 21 -17.723 10.903 -25.819 1.00 0.00 C ATOM 315 C LEU A 21 -18.831 11.035 -24.773 1.00 0.00 C ATOM 316 O LEU A 21 -18.941 12.064 -24.106 1.00 0.00 O ATOM 317 CB LEU A 21 -16.333 11.268 -25.294 1.00 0.00 C ATOM 318 CG LEU A 21 -15.510 10.114 -24.718 1.00 0.00 C ATOM 319 CD1 LEU A 21 -14.262 10.636 -24.003 1.00 0.00 C ATOM 320 CD2 LEU A 21 -16.366 9.231 -23.808 1.00 0.00 C ATOM 0 H LEU A 21 -17.695 12.667 -26.951 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.668 9.850 -26.093 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.767 11.722 -26.107 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -16.446 12.029 -24.521 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.170 9.489 -25.544 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.694 9.796 -23.602 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.643 11.189 -24.709 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.559 11.295 -23.187 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.757 8.418 -23.412 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.755 9.828 -22.983 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -17.196 8.817 -24.380 1.00 0.00 H new ATOM 332 N ASP A 22 -19.624 9.980 -24.660 1.00 0.00 N ATOM 333 CA ASP A 22 -20.719 9.965 -23.705 1.00 0.00 C ATOM 334 C ASP A 22 -20.161 9.729 -22.300 1.00 0.00 C ATOM 335 O ASP A 22 -19.191 8.994 -22.128 1.00 0.00 O ATOM 336 CB ASP A 22 -21.706 8.838 -24.017 1.00 0.00 C ATOM 337 CG ASP A 22 -22.222 8.811 -25.457 1.00 0.00 C ATOM 338 OD1 ASP A 22 -22.676 9.881 -25.918 1.00 0.00 O ATOM 339 OD2 ASP A 22 -22.151 7.721 -26.065 1.00 0.00 O ATOM 0 H ASP A 22 -19.530 9.129 -25.214 1.00 0.00 H new ATOM 0 HA ASP A 22 -21.234 10.923 -23.767 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -21.225 7.884 -23.801 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -22.558 8.925 -23.343 1.00 0.00 H new ATOM 344 N ARG A 23 -20.799 10.367 -21.330 1.00 0.00 N ATOM 345 CA ARG A 23 -20.380 10.237 -19.945 1.00 0.00 C ATOM 346 C ARG A 23 -20.504 8.783 -19.488 1.00 0.00 C ATOM 347 O ARG A 23 -19.988 8.413 -18.434 1.00 0.00 O ATOM 348 CB ARG A 23 -21.222 11.126 -19.028 1.00 0.00 C ATOM 349 CG ARG A 23 -20.627 12.533 -18.932 1.00 0.00 C ATOM 350 CD ARG A 23 -19.247 12.502 -18.272 1.00 0.00 C ATOM 351 NE ARG A 23 -19.233 13.386 -17.085 1.00 0.00 N ATOM 352 CZ ARG A 23 -18.126 13.710 -16.403 1.00 0.00 C ATOM 353 NH1 ARG A 23 -16.937 13.224 -16.785 1.00 0.00 N ATOM 354 NH2 ARG A 23 -18.208 14.520 -15.340 1.00 0.00 N ATOM 0 H ARG A 23 -21.604 10.976 -21.476 1.00 0.00 H new ATOM 0 HA ARG A 23 -19.339 10.554 -19.883 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -22.242 11.184 -19.408 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -21.276 10.682 -18.034 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.547 12.967 -19.929 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -21.294 13.175 -18.357 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -18.998 11.482 -17.979 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -18.487 12.824 -18.984 1.00 0.00 H new ATOM 0 HE ARG A 23 -20.121 13.773 -16.766 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.875 12.607 -17.595 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.094 13.471 -16.266 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.113 14.890 -15.050 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.366 14.767 -14.821 1.00 0.00 H new ATOM 368 N ASP A 24 -21.193 7.996 -20.302 1.00 0.00 N ATOM 369 CA ASP A 24 -21.391 6.589 -19.995 1.00 0.00 C ATOM 370 C ASP A 24 -20.781 5.737 -21.109 1.00 0.00 C ATOM 371 O ASP A 24 -21.294 4.665 -21.427 1.00 0.00 O ATOM 372 CB ASP A 24 -22.880 6.251 -19.902 1.00 0.00 C ATOM 373 CG ASP A 24 -23.647 6.341 -21.222 1.00 0.00 C ATOM 374 OD1 ASP A 24 -23.024 6.782 -22.213 1.00 0.00 O ATOM 375 OD2 ASP A 24 -24.840 5.967 -21.213 1.00 0.00 O ATOM 0 H ASP A 24 -21.621 8.306 -21.174 1.00 0.00 H new ATOM 0 HA ASP A 24 -20.913 6.382 -19.037 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -22.984 5.240 -19.507 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -23.346 6.924 -19.182 1.00 0.00 H new ATOM 380 N GLN A 25 -19.695 6.245 -21.673 1.00 0.00 N ATOM 381 CA GLN A 25 -19.010 5.545 -22.746 1.00 0.00 C ATOM 382 C GLN A 25 -17.601 5.144 -22.303 1.00 0.00 C ATOM 383 O GLN A 25 -17.177 5.475 -21.197 1.00 0.00 O ATOM 384 CB GLN A 25 -18.964 6.396 -24.016 1.00 0.00 C ATOM 385 CG GLN A 25 -19.864 5.805 -25.104 1.00 0.00 C ATOM 386 CD GLN A 25 -19.261 6.025 -26.493 1.00 0.00 C ATOM 387 OE1 GLN A 25 -18.336 6.798 -26.681 1.00 0.00 O ATOM 388 NE2 GLN A 25 -19.834 5.303 -27.452 1.00 0.00 N ATOM 0 H GLN A 25 -19.272 7.134 -21.407 1.00 0.00 H new ATOM 0 HA GLN A 25 -19.570 4.639 -22.977 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.282 7.413 -23.788 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.939 6.457 -24.380 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -20.001 4.738 -24.928 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -20.851 6.266 -25.055 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -20.605 4.675 -27.226 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -19.503 5.378 -28.414 1.00 0.00 H new ATOM 397 N CYS A 26 -16.916 4.437 -23.189 1.00 0.00 N ATOM 398 CA CYS A 26 -15.564 3.988 -22.904 1.00 0.00 C ATOM 399 C CYS A 26 -14.608 4.705 -23.859 1.00 0.00 C ATOM 400 O CYS A 26 -14.858 4.769 -25.060 1.00 0.00 O ATOM 401 CB CYS A 26 -15.440 2.466 -23.007 1.00 0.00 C ATOM 402 SG CYS A 26 -13.700 1.961 -22.750 1.00 0.00 S ATOM 0 H CYS A 26 -17.272 4.164 -24.105 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.304 4.239 -21.876 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -16.079 1.990 -22.264 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -15.784 2.130 -23.985 1.00 0.00 H new ATOM 407 N ALA A 27 -13.532 5.225 -23.287 1.00 0.00 N ATOM 408 CA ALA A 27 -12.537 5.934 -24.073 1.00 0.00 C ATOM 409 C ALA A 27 -11.317 5.034 -24.278 1.00 0.00 C ATOM 410 O ALA A 27 -10.182 5.506 -24.258 1.00 0.00 O ATOM 411 CB ALA A 27 -12.179 7.249 -23.376 1.00 0.00 C ATOM 0 H ALA A 27 -13.328 5.169 -22.289 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.933 6.182 -25.058 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.432 7.782 -23.965 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.073 7.865 -23.280 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.776 7.038 -22.385 1.00 0.00 H new ATOM 417 N TYR A 28 -11.594 3.752 -24.471 1.00 0.00 N ATOM 418 CA TYR A 28 -10.534 2.781 -24.680 1.00 0.00 C ATOM 419 C TYR A 28 -10.850 1.872 -25.869 1.00 0.00 C ATOM 420 O TYR A 28 -10.018 1.692 -26.755 1.00 0.00 O ATOM 421 CB TYR A 28 -10.481 1.935 -23.406 1.00 0.00 C ATOM 422 CG TYR A 28 -9.095 1.367 -23.093 1.00 0.00 C ATOM 423 CD1 TYR A 28 -8.053 2.220 -22.790 1.00 0.00 C ATOM 424 CD2 TYR A 28 -8.886 0.004 -23.115 1.00 0.00 C ATOM 425 CE1 TYR A 28 -6.748 1.687 -22.495 1.00 0.00 C ATOM 426 CE2 TYR A 28 -7.581 -0.530 -22.820 1.00 0.00 C ATOM 427 CZ TYR A 28 -6.576 0.338 -22.525 1.00 0.00 C ATOM 428 OH TYR A 28 -5.344 -0.166 -22.247 1.00 0.00 O ATOM 0 H TYR A 28 -12.537 3.364 -24.487 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.589 3.283 -24.889 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.812 2.543 -22.564 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -11.188 1.110 -23.500 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.216 3.287 -22.774 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.701 -0.663 -23.353 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.925 2.343 -22.255 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.405 -1.595 -22.833 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.879 0.431 -21.624 1.00 0.00 H new ATOM 438 N CYS A 29 -12.056 1.323 -25.849 1.00 0.00 N ATOM 439 CA CYS A 29 -12.492 0.436 -26.914 1.00 0.00 C ATOM 440 C CYS A 29 -13.555 1.165 -27.740 1.00 0.00 C ATOM 441 O CYS A 29 -13.790 0.821 -28.897 1.00 0.00 O ATOM 442 CB CYS A 29 -13.009 -0.896 -26.367 1.00 0.00 C ATOM 443 SG CYS A 29 -14.479 -0.613 -25.315 1.00 0.00 S ATOM 0 H CYS A 29 -12.745 1.475 -25.112 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.644 0.186 -27.552 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.264 -1.562 -27.191 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -12.227 -1.389 -25.789 1.00 0.00 H new ATOM 448 N LYS A 30 -14.171 2.156 -27.112 1.00 0.00 N ATOM 449 CA LYS A 30 -15.203 2.935 -27.772 1.00 0.00 C ATOM 450 C LYS A 30 -16.568 2.300 -27.501 1.00 0.00 C ATOM 451 O LYS A 30 -17.502 2.469 -28.283 1.00 0.00 O ATOM 452 CB LYS A 30 -14.884 3.093 -29.261 1.00 0.00 C ATOM 453 CG LYS A 30 -15.304 4.474 -29.767 1.00 0.00 C ATOM 454 CD LYS A 30 -14.081 5.322 -30.125 1.00 0.00 C ATOM 455 CE LYS A 30 -13.799 6.362 -29.040 1.00 0.00 C ATOM 456 NZ LYS A 30 -12.699 5.907 -28.159 1.00 0.00 N ATOM 0 H LYS A 30 -13.974 2.437 -26.151 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.235 3.946 -27.366 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.816 2.951 -29.425 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.400 2.320 -29.831 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.944 4.365 -30.642 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.892 4.982 -29.003 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.211 4.677 -30.251 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.247 5.822 -31.079 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.534 7.314 -29.500 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.699 6.533 -28.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.520 6.625 -27.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.966 5.010 -27.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.837 5.766 -28.724 1.00 0.00 H new ATOM 470 N GLU A 31 -16.640 1.582 -26.389 1.00 0.00 N ATOM 471 CA GLU A 31 -17.876 0.921 -26.005 1.00 0.00 C ATOM 472 C GLU A 31 -18.827 1.918 -25.339 1.00 0.00 C ATOM 473 O GLU A 31 -18.514 3.103 -25.235 1.00 0.00 O ATOM 474 CB GLU A 31 -17.598 -0.269 -25.084 1.00 0.00 C ATOM 475 CG GLU A 31 -17.245 -1.518 -25.894 1.00 0.00 C ATOM 476 CD GLU A 31 -18.504 -2.307 -26.261 1.00 0.00 C ATOM 477 OE1 GLU A 31 -19.109 -2.876 -25.328 1.00 0.00 O ATOM 478 OE2 GLU A 31 -18.832 -2.321 -27.467 1.00 0.00 O ATOM 0 H GLU A 31 -15.863 1.444 -25.743 1.00 0.00 H new ATOM 0 HA GLU A 31 -18.355 0.538 -26.906 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.779 -0.026 -24.407 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -18.474 -0.467 -24.466 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.715 -1.229 -26.802 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.570 -2.151 -25.318 1.00 0.00 H new ATOM 485 N LYS A 32 -19.967 1.401 -24.907 1.00 0.00 N ATOM 486 CA LYS A 32 -20.966 2.231 -24.255 1.00 0.00 C ATOM 487 C LYS A 32 -21.571 1.464 -23.078 1.00 0.00 C ATOM 488 O LYS A 32 -22.203 0.426 -23.268 1.00 0.00 O ATOM 489 CB LYS A 32 -22.002 2.720 -25.268 1.00 0.00 C ATOM 490 CG LYS A 32 -22.966 3.720 -24.629 1.00 0.00 C ATOM 491 CD LYS A 32 -22.946 5.055 -25.376 1.00 0.00 C ATOM 492 CE LYS A 32 -24.249 5.270 -26.150 1.00 0.00 C ATOM 493 NZ LYS A 32 -25.020 6.389 -25.566 1.00 0.00 N ATOM 0 H LYS A 32 -20.222 0.417 -24.996 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.505 3.131 -23.847 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -21.497 3.187 -26.114 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -22.561 1.870 -25.660 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -23.976 3.311 -24.635 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -22.692 3.879 -23.586 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -22.801 5.870 -24.667 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -22.102 5.078 -26.065 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -24.027 5.481 -27.196 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -24.846 4.359 -26.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -25.830 6.610 -26.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -25.364 6.119 -24.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -24.409 7.227 -25.485 1.00 0.00 H new ATOM 507 N GLY A 33 -21.357 2.005 -21.887 1.00 0.00 N ATOM 508 CA GLY A 33 -21.873 1.384 -20.679 1.00 0.00 C ATOM 509 C GLY A 33 -20.804 1.339 -19.585 1.00 0.00 C ATOM 510 O GLY A 33 -21.050 1.756 -18.454 1.00 0.00 O ATOM 0 H GLY A 33 -20.833 2.867 -21.733 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.740 1.940 -20.322 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.212 0.373 -20.902 1.00 0.00 H new ATOM 514 N HIS A 34 -19.639 0.831 -19.960 1.00 0.00 N ATOM 515 CA HIS A 34 -18.532 0.727 -19.026 1.00 0.00 C ATOM 516 C HIS A 34 -17.551 1.877 -19.261 1.00 0.00 C ATOM 517 O HIS A 34 -17.560 2.497 -20.323 1.00 0.00 O ATOM 518 CB HIS A 34 -17.868 -0.647 -19.121 1.00 0.00 C ATOM 519 CG HIS A 34 -17.098 -0.870 -20.401 1.00 0.00 C ATOM 520 ND1 HIS A 34 -17.549 -1.700 -21.413 1.00 0.00 N ATOM 521 CD2 HIS A 34 -15.905 -0.361 -20.824 1.00 0.00 C ATOM 522 CE1 HIS A 34 -16.659 -1.685 -22.395 1.00 0.00 C ATOM 523 NE2 HIS A 34 -15.641 -0.855 -22.028 1.00 0.00 N ATOM 0 H HIS A 34 -19.438 0.487 -20.899 1.00 0.00 H new ATOM 0 HA HIS A 34 -18.904 0.816 -18.005 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -17.191 -0.771 -18.276 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -18.635 -1.417 -19.031 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -18.419 -2.233 -21.404 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.281 0.327 -20.273 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -16.728 -2.234 -23.323 1.00 0.00 H new ATOM 531 N TRP A 35 -16.730 2.128 -18.253 1.00 0.00 N ATOM 532 CA TRP A 35 -15.745 3.193 -18.337 1.00 0.00 C ATOM 533 C TRP A 35 -14.418 2.576 -18.784 1.00 0.00 C ATOM 534 O TRP A 35 -14.235 1.362 -18.701 1.00 0.00 O ATOM 535 CB TRP A 35 -15.636 3.946 -17.009 1.00 0.00 C ATOM 536 CG TRP A 35 -16.562 5.159 -16.903 1.00 0.00 C ATOM 537 CD1 TRP A 35 -17.831 5.267 -17.320 1.00 0.00 C ATOM 538 CD2 TRP A 35 -16.237 6.440 -16.325 1.00 0.00 C ATOM 539 NE1 TRP A 35 -18.346 6.519 -17.053 1.00 0.00 N ATOM 540 CE2 TRP A 35 -17.346 7.255 -16.429 1.00 0.00 C ATOM 541 CE3 TRP A 35 -15.046 6.896 -15.733 1.00 0.00 C ATOM 542 CZ2 TRP A 35 -17.373 8.575 -15.963 1.00 0.00 C ATOM 543 CZ3 TRP A 35 -15.089 8.217 -15.273 1.00 0.00 C ATOM 544 CH2 TRP A 35 -16.198 9.050 -15.370 1.00 0.00 C ATOM 0 H TRP A 35 -16.726 1.612 -17.373 1.00 0.00 H new ATOM 0 HA TRP A 35 -16.047 3.940 -19.071 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -15.861 3.258 -16.194 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -14.606 4.275 -16.874 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -18.381 4.474 -17.804 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -19.287 6.844 -17.273 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.167 6.275 -15.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -18.253 9.193 -16.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -14.199 8.617 -14.811 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -16.153 10.060 -14.989 1.00 0.00 H new ATOM 555 N ALA A 36 -13.527 3.440 -19.250 1.00 0.00 N ATOM 556 CA ALA A 36 -12.224 2.994 -19.712 1.00 0.00 C ATOM 557 C ALA A 36 -11.513 2.252 -18.578 1.00 0.00 C ATOM 558 O ALA A 36 -10.857 1.237 -18.811 1.00 0.00 O ATOM 559 CB ALA A 36 -11.422 4.197 -20.214 1.00 0.00 C ATOM 0 H ALA A 36 -13.682 4.446 -19.317 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.329 2.300 -20.546 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.444 3.863 -20.561 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.956 4.673 -21.037 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.294 4.913 -19.402 1.00 0.00 H new ATOM 565 N LYS A 37 -11.667 2.787 -17.376 1.00 0.00 N ATOM 566 CA LYS A 37 -11.047 2.188 -16.206 1.00 0.00 C ATOM 567 C LYS A 37 -11.712 0.840 -15.917 1.00 0.00 C ATOM 568 O LYS A 37 -11.189 0.039 -15.143 1.00 0.00 O ATOM 569 CB LYS A 37 -11.086 3.158 -15.024 1.00 0.00 C ATOM 570 CG LYS A 37 -9.901 4.125 -15.070 1.00 0.00 C ATOM 571 CD LYS A 37 -10.372 5.576 -14.962 1.00 0.00 C ATOM 572 CE LYS A 37 -10.148 6.325 -16.277 1.00 0.00 C ATOM 573 NZ LYS A 37 -10.977 5.740 -17.355 1.00 0.00 N ATOM 0 H LYS A 37 -12.212 3.628 -17.187 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.991 1.991 -16.392 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.020 3.720 -15.041 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.067 2.598 -14.089 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.213 3.901 -14.255 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.350 3.986 -16.000 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.430 5.600 -14.701 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.834 6.078 -14.158 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.398 7.378 -16.149 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.095 6.278 -16.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.069 6.425 -18.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.525 4.873 -17.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.920 5.510 -16.982 1.00 0.00 H new ATOM 587 N ASP A 38 -12.855 0.631 -16.554 1.00 0.00 N ATOM 588 CA ASP A 38 -13.596 -0.607 -16.375 1.00 0.00 C ATOM 589 C ASP A 38 -13.703 -1.330 -17.717 1.00 0.00 C ATOM 590 O ASP A 38 -14.526 -2.230 -17.877 1.00 0.00 O ATOM 591 CB ASP A 38 -15.014 -0.331 -15.871 1.00 0.00 C ATOM 592 CG ASP A 38 -15.604 -1.420 -14.974 1.00 0.00 C ATOM 593 OD1 ASP A 38 -15.648 -2.579 -15.442 1.00 0.00 O ATOM 594 OD2 ASP A 38 -16.001 -1.070 -13.842 1.00 0.00 O ATOM 0 H ASP A 38 -13.286 1.298 -17.194 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.065 -1.216 -15.643 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -15.011 0.610 -15.321 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.669 -0.195 -16.731 1.00 0.00 H new ATOM 599 N CYS A 39 -12.859 -0.911 -18.649 1.00 0.00 N ATOM 600 CA CYS A 39 -12.849 -1.509 -19.974 1.00 0.00 C ATOM 601 C CYS A 39 -12.493 -2.990 -19.830 1.00 0.00 C ATOM 602 O CYS A 39 -11.451 -3.330 -19.271 1.00 0.00 O ATOM 603 CB CYS A 39 -11.888 -0.780 -20.916 1.00 0.00 C ATOM 604 SG CYS A 39 -12.081 -1.415 -22.621 1.00 0.00 S ATOM 0 H CYS A 39 -12.177 -0.165 -18.513 1.00 0.00 H new ATOM 0 HA CYS A 39 -13.837 -1.416 -20.425 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.087 0.292 -20.894 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.860 -0.921 -20.581 1.00 0.00 H new ATOM 609 N PRO A 40 -13.402 -3.853 -20.357 1.00 0.00 N ATOM 610 CA PRO A 40 -13.195 -5.290 -20.293 1.00 0.00 C ATOM 611 C PRO A 40 -12.135 -5.736 -21.301 1.00 0.00 C ATOM 612 O PRO A 40 -11.823 -6.922 -21.396 1.00 0.00 O ATOM 613 CB PRO A 40 -14.562 -5.897 -20.560 1.00 0.00 C ATOM 614 CG PRO A 40 -15.383 -4.802 -21.221 1.00 0.00 C ATOM 615 CD PRO A 40 -14.647 -3.486 -21.026 1.00 0.00 C ATOM 0 HA PRO A 40 -12.811 -5.617 -19.327 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.482 -6.770 -21.208 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.029 -6.230 -19.633 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.515 -5.012 -22.282 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.378 -4.752 -20.780 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.454 -2.995 -21.980 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.231 -2.791 -20.422 1.00 0.00 H new ATOM 623 N LYS A 41 -11.609 -4.762 -22.029 1.00 0.00 N ATOM 624 CA LYS A 41 -10.590 -5.039 -23.027 1.00 0.00 C ATOM 625 C LYS A 41 -9.210 -4.731 -22.441 1.00 0.00 C ATOM 626 O LYS A 41 -8.195 -5.191 -22.961 1.00 0.00 O ATOM 627 CB LYS A 41 -10.890 -4.284 -24.324 1.00 0.00 C ATOM 628 CG LYS A 41 -9.853 -4.610 -25.401 1.00 0.00 C ATOM 629 CD LYS A 41 -9.241 -3.332 -25.977 1.00 0.00 C ATOM 630 CE LYS A 41 -7.975 -2.939 -25.214 1.00 0.00 C ATOM 631 NZ LYS A 41 -6.891 -3.913 -25.469 1.00 0.00 N ATOM 0 H LYS A 41 -11.870 -3.779 -21.947 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.595 -6.096 -23.292 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.885 -4.548 -24.681 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.895 -3.211 -24.132 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.067 -5.235 -24.977 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.321 -5.185 -26.200 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.004 -3.481 -27.030 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.968 -2.521 -25.925 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.655 -1.942 -25.518 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.187 -2.894 -24.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.974 -3.479 -25.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.033 -4.754 -24.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.903 -4.191 -26.471 1.00 0.00 H new ATOM 645 N LYS A 42 -9.219 -3.955 -21.367 1.00 0.00 N ATOM 646 CA LYS A 42 -7.982 -3.581 -20.705 1.00 0.00 C ATOM 647 C LYS A 42 -7.227 -4.846 -20.291 1.00 0.00 C ATOM 648 O LYS A 42 -7.835 -5.892 -20.071 1.00 0.00 O ATOM 649 CB LYS A 42 -8.263 -2.624 -19.544 1.00 0.00 C ATOM 650 CG LYS A 42 -7.966 -1.177 -19.942 1.00 0.00 C ATOM 651 CD LYS A 42 -7.976 -0.260 -18.718 1.00 0.00 C ATOM 652 CE LYS A 42 -7.024 0.923 -18.912 1.00 0.00 C ATOM 653 NZ LYS A 42 -7.582 2.144 -18.288 1.00 0.00 N ATOM 0 H LYS A 42 -10.064 -3.575 -20.939 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.335 -3.033 -21.389 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.305 -2.714 -19.238 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.653 -2.901 -18.684 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.995 -1.123 -20.434 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.708 -0.835 -20.664 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.987 0.107 -18.542 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.684 -0.825 -17.833 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.054 0.693 -18.471 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.859 1.094 -19.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.150 2.984 -18.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.611 2.169 -18.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.377 2.138 -17.268 1.00 0.00 H new ATOM 667 N PRO A 43 -5.877 -4.704 -20.193 1.00 0.00 N ATOM 668 CA PRO A 43 -5.034 -5.822 -19.808 1.00 0.00 C ATOM 669 C PRO A 43 -5.147 -6.105 -18.309 1.00 0.00 C ATOM 670 O PRO A 43 -4.848 -5.240 -17.486 1.00 0.00 O ATOM 671 CB PRO A 43 -3.630 -5.420 -20.232 1.00 0.00 C ATOM 672 CG PRO A 43 -3.666 -3.911 -20.413 1.00 0.00 C ATOM 673 CD PRO A 43 -5.123 -3.479 -20.445 1.00 0.00 C ATOM 0 HA PRO A 43 -5.329 -6.755 -20.287 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.897 -5.706 -19.477 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.344 -5.918 -21.159 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.139 -3.416 -19.597 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.163 -3.625 -21.337 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.329 -2.724 -19.687 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -5.386 -3.043 -21.409 1.00 0.00 H new ATOM 681 N ARG A 44 -5.578 -7.318 -17.999 1.00 0.00 N ATOM 682 CA ARG A 44 -5.735 -7.726 -16.613 1.00 0.00 C ATOM 683 C ARG A 44 -4.542 -8.575 -16.171 1.00 0.00 C ATOM 684 O ARG A 44 -4.651 -9.795 -16.062 1.00 0.00 O ATOM 685 CB ARG A 44 -7.024 -8.527 -16.417 1.00 0.00 C ATOM 686 CG ARG A 44 -7.402 -8.604 -14.936 1.00 0.00 C ATOM 687 CD ARG A 44 -8.786 -9.230 -14.755 1.00 0.00 C ATOM 688 NE ARG A 44 -8.757 -10.211 -13.647 1.00 0.00 N ATOM 689 CZ ARG A 44 -8.867 -9.884 -12.353 1.00 0.00 C ATOM 690 NH1 ARG A 44 -9.014 -8.602 -11.995 1.00 0.00 N ATOM 691 NH2 ARG A 44 -8.829 -10.841 -11.415 1.00 0.00 N ATOM 0 H ARG A 44 -5.824 -8.033 -18.684 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.787 -6.823 -16.005 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.834 -8.062 -16.979 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.895 -9.533 -16.816 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.659 -9.193 -14.398 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.392 -7.604 -14.502 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -9.521 -8.453 -14.545 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.096 -9.720 -15.678 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.646 -11.197 -13.884 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.042 -7.873 -12.708 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.098 -8.354 -11.009 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.716 -11.818 -11.687 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.913 -10.593 -10.429 1.00 0.00 H new ATOM 705 N GLY A 45 -3.431 -7.896 -15.931 1.00 0.00 N ATOM 706 CA GLY A 45 -2.218 -8.574 -15.503 1.00 0.00 C ATOM 707 C GLY A 45 -1.554 -9.301 -16.674 1.00 0.00 C ATOM 708 O GLY A 45 -2.090 -9.319 -17.781 1.00 0.00 O ATOM 0 H GLY A 45 -3.344 -6.884 -16.024 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.523 -7.850 -15.079 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.455 -9.288 -14.714 1.00 0.00 H new ATOM 712 N PRO A 46 -0.368 -9.899 -16.382 1.00 0.00 N ATOM 713 CA PRO A 46 0.196 -9.828 -15.045 1.00 0.00 C ATOM 714 C PRO A 46 0.786 -8.444 -14.770 1.00 0.00 C ATOM 715 O PRO A 46 1.377 -7.830 -15.656 1.00 0.00 O ATOM 716 CB PRO A 46 1.235 -10.937 -14.997 1.00 0.00 C ATOM 717 CG PRO A 46 1.543 -11.281 -16.446 1.00 0.00 C ATOM 718 CD PRO A 46 0.465 -10.653 -17.313 1.00 0.00 C ATOM 0 HA PRO A 46 -0.553 -9.967 -14.265 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.133 -10.609 -14.474 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.854 -11.807 -14.461 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.526 -10.904 -16.727 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.564 -12.362 -16.586 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.898 -10.002 -18.073 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.115 -11.413 -17.836 1.00 0.00 H new ATOM 726 N ARG A 47 0.605 -7.993 -13.537 1.00 0.00 N ATOM 727 CA ARG A 47 1.111 -6.692 -13.135 1.00 0.00 C ATOM 728 C ARG A 47 2.586 -6.795 -12.742 1.00 0.00 C ATOM 729 O ARG A 47 2.936 -7.525 -11.816 1.00 0.00 O ATOM 730 CB ARG A 47 0.315 -6.132 -11.954 1.00 0.00 C ATOM 731 CG ARG A 47 -0.113 -4.687 -12.219 1.00 0.00 C ATOM 732 CD ARG A 47 -0.976 -4.152 -11.073 1.00 0.00 C ATOM 733 NE ARG A 47 -0.115 -3.735 -9.944 1.00 0.00 N ATOM 734 CZ ARG A 47 -0.546 -3.025 -8.892 1.00 0.00 C ATOM 735 NH1 ARG A 47 -1.830 -2.650 -8.819 1.00 0.00 N ATOM 736 NH2 ARG A 47 0.306 -2.692 -7.914 1.00 0.00 N ATOM 0 H ARG A 47 0.115 -8.506 -12.804 1.00 0.00 H new ATOM 0 HA ARG A 47 1.003 -6.018 -13.984 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.566 -6.750 -11.778 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.921 -6.176 -11.049 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.770 -4.059 -12.339 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.671 -4.635 -13.154 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.571 -3.307 -11.419 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.675 -4.921 -10.744 1.00 0.00 H new ATOM 0 HE ARG A 47 0.868 -4.005 -9.968 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.479 -2.905 -9.564 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.159 -2.110 -8.019 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.283 -2.979 -7.969 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.022 -2.152 -7.114 1.00 0.00 H new ATOM 750 N GLY A 48 3.412 -6.054 -13.467 1.00 0.00 N ATOM 751 CA GLY A 48 4.841 -6.054 -13.206 1.00 0.00 C ATOM 752 C GLY A 48 5.607 -5.387 -14.351 1.00 0.00 C ATOM 753 O GLY A 48 5.893 -6.023 -15.365 1.00 0.00 O ATOM 0 H GLY A 48 3.118 -5.450 -14.235 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.044 -5.528 -12.273 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.191 -7.078 -13.077 1.00 0.00 H new ATOM 757 N PRO A 49 5.927 -4.082 -14.146 1.00 0.00 N ATOM 758 CA PRO A 49 6.654 -3.322 -15.148 1.00 0.00 C ATOM 759 C PRO A 49 8.133 -3.717 -15.169 1.00 0.00 C ATOM 760 O PRO A 49 8.957 -3.080 -14.516 1.00 0.00 O ATOM 761 CB PRO A 49 6.433 -1.866 -14.775 1.00 0.00 C ATOM 762 CG PRO A 49 5.984 -1.871 -13.323 1.00 0.00 C ATOM 763 CD PRO A 49 5.606 -3.297 -12.956 1.00 0.00 C ATOM 0 HA PRO A 49 6.302 -3.517 -16.161 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.349 -1.288 -14.899 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.679 -1.409 -15.415 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.783 -1.509 -12.675 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.134 -1.203 -13.184 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.167 -3.645 -12.089 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.548 -3.374 -12.704 1.00 0.00 H new ATOM 771 N ARG A 50 8.421 -4.765 -15.926 1.00 0.00 N ATOM 772 CA ARG A 50 9.786 -5.252 -16.041 1.00 0.00 C ATOM 773 C ARG A 50 10.731 -4.104 -16.400 1.00 0.00 C ATOM 774 O ARG A 50 10.730 -3.625 -17.534 1.00 0.00 O ATOM 775 CB ARG A 50 9.893 -6.344 -17.107 1.00 0.00 C ATOM 776 CG ARG A 50 10.367 -7.664 -16.495 1.00 0.00 C ATOM 777 CD ARG A 50 9.983 -8.849 -17.382 1.00 0.00 C ATOM 778 NE ARG A 50 11.198 -9.582 -17.802 1.00 0.00 N ATOM 779 CZ ARG A 50 11.196 -10.613 -18.658 1.00 0.00 C ATOM 780 NH1 ARG A 50 10.042 -11.040 -19.190 1.00 0.00 N ATOM 781 NH2 ARG A 50 12.347 -11.218 -18.981 1.00 0.00 N ATOM 0 H ARG A 50 7.733 -5.291 -16.466 1.00 0.00 H new ATOM 0 HA ARG A 50 10.070 -5.673 -15.076 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.923 -6.488 -17.584 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.588 -6.030 -17.886 1.00 0.00 H new ATOM 0 HG2 ARG A 50 11.449 -7.640 -16.363 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.928 -7.789 -15.505 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.314 -9.518 -16.840 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.440 -8.496 -18.259 1.00 0.00 H new ATOM 0 HE ARG A 50 12.094 -9.284 -17.416 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.166 -10.580 -18.943 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.040 -11.825 -19.842 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.225 -10.894 -18.575 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.345 -12.003 -19.633 1.00 0.00 H new ATOM 795 N PRO A 51 11.536 -3.683 -15.388 1.00 0.00 N ATOM 796 CA PRO A 51 12.483 -2.600 -15.586 1.00 0.00 C ATOM 797 C PRO A 51 13.692 -3.071 -16.397 1.00 0.00 C ATOM 798 O PRO A 51 14.147 -2.372 -17.301 1.00 0.00 O ATOM 799 CB PRO A 51 12.851 -2.138 -14.185 1.00 0.00 C ATOM 800 CG PRO A 51 12.460 -3.275 -13.256 1.00 0.00 C ATOM 801 CD PRO A 51 11.564 -4.225 -14.033 1.00 0.00 C ATOM 0 HA PRO A 51 12.066 -1.777 -16.166 1.00 0.00 H new ATOM 0 HB2 PRO A 51 13.917 -1.923 -14.112 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.322 -1.221 -13.924 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.347 -3.796 -12.896 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.939 -2.890 -12.380 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.959 -5.241 -14.021 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.563 -4.267 -13.602 1.00 0.00 H new ATOM 809 N GLN A 52 14.177 -4.252 -16.045 1.00 0.00 N ATOM 810 CA GLN A 52 15.324 -4.824 -16.729 1.00 0.00 C ATOM 811 C GLN A 52 16.397 -3.755 -16.952 1.00 0.00 C ATOM 812 O GLN A 52 16.553 -3.249 -18.061 1.00 0.00 O ATOM 813 CB GLN A 52 14.908 -5.467 -18.053 1.00 0.00 C ATOM 814 CG GLN A 52 15.604 -6.815 -18.251 1.00 0.00 C ATOM 815 CD GLN A 52 15.449 -7.307 -19.692 1.00 0.00 C ATOM 816 OE1 GLN A 52 16.342 -7.189 -20.515 1.00 0.00 O ATOM 817 NE2 GLN A 52 14.268 -7.862 -19.949 1.00 0.00 N ATOM 0 H GLN A 52 13.797 -4.829 -15.295 1.00 0.00 H new ATOM 0 HA GLN A 52 15.745 -5.607 -16.099 1.00 0.00 H new ATOM 0 HB2 GLN A 52 13.827 -5.606 -18.070 1.00 0.00 H new ATOM 0 HB3 GLN A 52 15.157 -4.801 -18.879 1.00 0.00 H new ATOM 0 HG2 GLN A 52 16.662 -6.721 -18.007 1.00 0.00 H new ATOM 0 HG3 GLN A 52 15.183 -7.550 -17.565 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.565 -7.929 -19.213 1.00 0.00 H new ATOM 0 HE22 GLN A 52 14.065 -8.221 -20.882 1.00 0.00 H new ATOM 826 N THR A 53 17.109 -3.445 -15.879 1.00 0.00 N ATOM 827 CA THR A 53 18.162 -2.445 -15.943 1.00 0.00 C ATOM 828 C THR A 53 19.536 -3.112 -15.850 1.00 0.00 C ATOM 829 O THR A 53 20.417 -2.843 -16.665 1.00 0.00 O ATOM 830 CB THR A 53 17.909 -1.419 -14.836 1.00 0.00 C ATOM 831 OG1 THR A 53 19.022 -0.534 -14.922 1.00 0.00 O ATOM 832 CG2 THR A 53 18.022 -2.028 -13.437 1.00 0.00 C ATOM 0 H THR A 53 16.978 -3.868 -14.960 1.00 0.00 H new ATOM 0 HA THR A 53 18.153 -1.922 -16.899 1.00 0.00 H new ATOM 0 HB THR A 53 16.917 -0.984 -14.963 1.00 0.00 H new ATOM 0 HG1 THR A 53 18.938 0.164 -14.240 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.834 -1.258 -12.689 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.289 -2.827 -13.328 1.00 0.00 H new ATOM 0 HG23 THR A 53 19.024 -2.433 -13.296 1.00 0.00 H new ATOM 840 N SER A 54 19.675 -3.970 -14.849 1.00 0.00 N ATOM 841 CA SER A 54 20.927 -4.678 -14.639 1.00 0.00 C ATOM 842 C SER A 54 20.647 -6.126 -14.234 1.00 0.00 C ATOM 843 O SER A 54 20.653 -6.454 -13.050 1.00 0.00 O ATOM 844 CB SER A 54 21.780 -3.984 -13.576 1.00 0.00 C ATOM 845 OG SER A 54 23.147 -3.888 -13.967 1.00 0.00 O ATOM 0 H SER A 54 18.942 -4.191 -14.175 1.00 0.00 H new ATOM 0 HA SER A 54 21.486 -4.671 -15.575 1.00 0.00 H new ATOM 0 HB2 SER A 54 21.385 -2.985 -13.390 1.00 0.00 H new ATOM 0 HB3 SER A 54 21.709 -4.535 -12.638 1.00 0.00 H new ATOM 0 HG SER A 54 23.658 -3.437 -13.262 1.00 0.00 H new ATOM 851 N LEU A 55 20.411 -6.954 -15.241 1.00 0.00 N ATOM 852 CA LEU A 55 20.130 -8.359 -15.005 1.00 0.00 C ATOM 853 C LEU A 55 19.877 -9.057 -16.343 1.00 0.00 C ATOM 854 O LEU A 55 19.910 -8.420 -17.395 1.00 0.00 O ATOM 855 CB LEU A 55 18.982 -8.516 -14.005 1.00 0.00 C ATOM 856 CG LEU A 55 19.313 -9.278 -12.719 1.00 0.00 C ATOM 857 CD1 LEU A 55 18.823 -8.513 -11.488 1.00 0.00 C ATOM 858 CD2 LEU A 55 18.756 -10.702 -12.768 1.00 0.00 C ATOM 0 H LEU A 55 20.409 -6.678 -16.223 1.00 0.00 H new ATOM 0 HA LEU A 55 20.991 -8.847 -14.548 1.00 0.00 H new ATOM 0 HB2 LEU A 55 18.624 -7.523 -13.734 1.00 0.00 H new ATOM 0 HB3 LEU A 55 18.158 -9.026 -14.504 1.00 0.00 H new ATOM 0 HG LEU A 55 20.397 -9.359 -12.638 1.00 0.00 H new ATOM 0 HD11 LEU A 55 19.070 -9.076 -10.588 1.00 0.00 H new ATOM 0 HD12 LEU A 55 19.306 -7.537 -11.450 1.00 0.00 H new ATOM 0 HD13 LEU A 55 17.743 -8.381 -11.548 1.00 0.00 H new ATOM 0 HD21 LEU A 55 19.005 -11.222 -11.843 1.00 0.00 H new ATOM 0 HD22 LEU A 55 17.673 -10.665 -12.884 1.00 0.00 H new ATOM 0 HD23 LEU A 55 19.193 -11.235 -13.612 1.00 0.00 H new ATOM 870 N LEU A 56 19.631 -10.356 -16.260 1.00 0.00 N ATOM 871 CA LEU A 56 19.373 -11.147 -17.451 1.00 0.00 C ATOM 872 C LEU A 56 20.608 -11.119 -18.354 1.00 0.00 C ATOM 873 O LEU A 56 21.688 -10.719 -17.922 1.00 0.00 O ATOM 874 CB LEU A 56 18.095 -10.672 -18.144 1.00 0.00 C ATOM 875 CG LEU A 56 16.782 -11.214 -17.575 1.00 0.00 C ATOM 876 CD1 LEU A 56 16.391 -10.474 -16.294 1.00 0.00 C ATOM 877 CD2 LEU A 56 15.670 -11.170 -18.625 1.00 0.00 C ATOM 0 H LEU A 56 19.605 -10.881 -15.386 1.00 0.00 H new ATOM 0 HA LEU A 56 19.195 -12.189 -17.184 1.00 0.00 H new ATOM 0 HB2 LEU A 56 18.065 -9.583 -18.100 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.153 -10.947 -19.197 1.00 0.00 H new ATOM 0 HG LEU A 56 16.932 -12.260 -17.308 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.454 -10.879 -15.911 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.174 -10.602 -15.547 1.00 0.00 H new ATOM 0 HD13 LEU A 56 16.266 -9.413 -16.510 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.748 -11.561 -18.195 1.00 0.00 H new ATOM 0 HD22 LEU A 56 15.513 -10.140 -18.946 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.956 -11.778 -19.483 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P U B 517 -0.599 -0.750 -28.216 1.00 0.00 P ATOM 891 OP1 U B 517 -0.183 0.238 -27.195 1.00 0.00 O ATOM 892 OP2 U B 517 -1.065 -2.070 -27.738 1.00 0.00 O ATOM 893 O5' U B 517 -1.772 -0.096 -29.087 1.00 0.00 O ATOM 894 C5' U B 517 -1.797 1.313 -29.305 1.00 0.00 C ATOM 895 C4' U B 517 -2.983 1.683 -30.168 1.00 0.00 C ATOM 896 O4' U B 517 -3.467 0.522 -30.869 1.00 0.00 O ATOM 897 C3' U B 517 -4.253 2.007 -29.387 1.00 0.00 C ATOM 898 O3' U B 517 -4.272 3.397 -29.068 1.00 0.00 O ATOM 899 C2' U B 517 -5.387 1.636 -30.302 1.00 0.00 C ATOM 900 O2' U B 517 -5.432 2.725 -31.197 1.00 0.00 O ATOM 901 C1' U B 517 -4.863 0.328 -30.888 1.00 0.00 C ATOM 902 N1 U B 517 -5.246 -0.865 -30.102 1.00 0.00 N ATOM 903 C2 U B 517 -6.240 -1.635 -30.623 1.00 0.00 C ATOM 904 O2 U B 517 -6.808 -1.389 -31.676 1.00 0.00 O ATOM 905 N3 U B 517 -6.599 -2.746 -29.892 1.00 0.00 N ATOM 906 C4 U B 517 -6.013 -3.094 -28.702 1.00 0.00 C ATOM 907 O4 U B 517 -6.414 -4.111 -28.136 1.00 0.00 O ATOM 908 C5 U B 517 -4.981 -2.256 -28.204 1.00 0.00 C ATOM 909 C6 U B 517 -4.649 -1.184 -28.928 1.00 0.00 C ATOM 0 H5' U B 517 -0.873 1.631 -29.787 1.00 0.00 H new ATOM 0 H5'' U B 517 -1.854 1.836 -28.350 1.00 0.00 H new ATOM 0 H4' U B 517 -2.601 2.515 -30.759 1.00 0.00 H new ATOM 0 H3' U B 517 -4.321 1.465 -28.444 1.00 0.00 H new ATOM 0 H2' U B 517 -6.394 1.483 -29.914 1.00 0.00 H new ATOM 0 HO2' U B 517 -5.073 3.524 -30.758 1.00 0.00 H new ATOM 0 H1' U B 517 -5.276 0.128 -31.877 1.00 0.00 H new ATOM 0 H3 U B 517 -7.342 -3.343 -30.256 1.00 0.00 H new ATOM 0 H5 U B 517 -4.482 -2.478 -27.272 1.00 0.00 H new ATOM 0 H6 U B 517 -3.865 -0.539 -28.559 1.00 0.00 H new ATOM 920 P U B 518 -3.655 3.907 -27.682 1.00 0.00 P ATOM 921 OP1 U B 518 -2.374 4.604 -27.934 1.00 0.00 O ATOM 922 OP2 U B 518 -3.647 2.799 -26.702 1.00 0.00 O ATOM 923 O5' U B 518 -4.721 4.994 -27.191 1.00 0.00 O ATOM 924 C5' U B 518 -5.242 5.948 -28.114 1.00 0.00 C ATOM 925 C4' U B 518 -6.736 5.763 -28.265 1.00 0.00 C ATOM 926 O4' U B 518 -6.994 4.453 -28.857 1.00 0.00 O ATOM 927 C3' U B 518 -7.452 5.345 -26.985 1.00 0.00 C ATOM 928 O3' U B 518 -7.643 6.487 -26.153 1.00 0.00 O ATOM 929 C2' U B 518 -8.764 4.765 -27.435 1.00 0.00 C ATOM 930 O2' U B 518 -9.556 5.913 -27.642 1.00 0.00 O ATOM 931 C1' U B 518 -8.331 4.031 -28.701 1.00 0.00 C ATOM 932 N1 U B 518 -8.417 2.560 -28.589 1.00 0.00 N ATOM 933 C2 U B 518 -9.377 1.953 -29.339 1.00 0.00 C ATOM 934 O2 U B 518 -10.142 2.555 -30.077 1.00 0.00 O ATOM 935 N3 U B 518 -9.458 0.582 -29.236 1.00 0.00 N ATOM 936 C4 U B 518 -8.639 -0.169 -28.432 1.00 0.00 C ATOM 937 O4 U B 518 -8.802 -1.388 -28.418 1.00 0.00 O ATOM 938 C5 U B 518 -7.655 0.515 -27.670 1.00 0.00 C ATOM 939 C6 U B 518 -7.593 1.844 -27.786 1.00 0.00 C ATOM 0 H5' U B 518 -4.754 5.833 -29.082 1.00 0.00 H new ATOM 0 H5'' U B 518 -5.026 6.958 -27.766 1.00 0.00 H new ATOM 0 H4' U B 518 -7.040 6.696 -28.740 1.00 0.00 H new ATOM 0 H3' U B 518 -6.886 4.619 -26.401 1.00 0.00 H new ATOM 0 H2' U B 518 -9.326 4.085 -26.795 1.00 0.00 H new ATOM 0 HO2' U B 518 -9.137 6.683 -27.204 1.00 0.00 H new ATOM 0 H1' U B 518 -8.977 4.261 -29.548 1.00 0.00 H new ATOM 0 H3 U B 518 -10.166 0.098 -29.788 1.00 0.00 H new ATOM 0 H5 U B 518 -6.980 -0.021 -27.019 1.00 0.00 H new ATOM 0 H6 U B 518 -6.849 2.375 -27.211 1.00 0.00 H new ATOM 950 P U B 519 -6.391 7.154 -25.411 1.00 0.00 P ATOM 951 OP1 U B 519 -5.990 8.388 -26.124 1.00 0.00 O ATOM 952 OP2 U B 519 -5.348 6.131 -25.176 1.00 0.00 O ATOM 953 O5' U B 519 -6.998 7.578 -23.993 1.00 0.00 O ATOM 954 C5' U B 519 -8.378 7.920 -23.881 1.00 0.00 C ATOM 955 C4' U B 519 -8.865 7.662 -22.473 1.00 0.00 C ATOM 956 O4' U B 519 -8.737 6.264 -22.154 1.00 0.00 O ATOM 957 C3' U B 519 -7.948 8.204 -21.380 1.00 0.00 C ATOM 958 O3' U B 519 -8.304 9.553 -21.089 1.00 0.00 O ATOM 959 C2' U B 519 -8.173 7.306 -20.194 1.00 0.00 C ATOM 960 O2' U B 519 -9.395 7.779 -19.674 1.00 0.00 O ATOM 961 C1' U B 519 -8.234 5.943 -20.876 1.00 0.00 C ATOM 962 N1 U B 519 -6.920 5.272 -20.972 1.00 0.00 N ATOM 963 C2 U B 519 -6.403 4.789 -19.810 1.00 0.00 C ATOM 964 O2 U B 519 -6.962 4.885 -18.728 1.00 0.00 O ATOM 965 N3 U B 519 -5.179 4.164 -19.897 1.00 0.00 N ATOM 966 C4 U B 519 -4.485 4.014 -21.071 1.00 0.00 C ATOM 967 O4 U B 519 -3.399 3.438 -21.030 1.00 0.00 O ATOM 968 C5 U B 519 -5.070 4.537 -22.254 1.00 0.00 C ATOM 969 C6 U B 519 -6.257 5.139 -22.147 1.00 0.00 C ATOM 0 H5' U B 519 -8.964 7.335 -24.590 1.00 0.00 H new ATOM 0 H5'' U B 519 -8.522 8.970 -24.137 1.00 0.00 H new ATOM 0 H4' U B 519 -9.863 8.101 -22.479 1.00 0.00 H new ATOM 0 H3' U B 519 -6.897 8.210 -21.670 1.00 0.00 H new ATOM 0 H2' U B 519 -7.456 7.269 -19.374 1.00 0.00 H new ATOM 0 HO2' U B 519 -9.437 8.753 -19.773 1.00 0.00 H new ATOM 0 H1' U B 519 -8.843 5.232 -20.318 1.00 0.00 H new ATOM 0 H3 U B 519 -4.766 3.792 -19.042 1.00 0.00 H new ATOM 0 H5 U B 519 -4.572 4.451 -23.208 1.00 0.00 H new ATOM 0 H6 U B 519 -6.712 5.540 -23.041 1.00 0.00 H new ATOM 980 P U B 520 -7.314 10.475 -20.233 1.00 0.00 P ATOM 981 OP1 U B 520 -5.912 10.184 -20.610 1.00 0.00 O ATOM 982 OP2 U B 520 -7.668 10.388 -18.799 1.00 0.00 O ATOM 983 O5' U B 520 -7.666 11.950 -20.743 1.00 0.00 O ATOM 984 C5' U B 520 -6.641 12.937 -20.829 1.00 0.00 C ATOM 985 C4' U B 520 -6.999 13.968 -21.877 1.00 0.00 C ATOM 986 O4' U B 520 -7.421 13.174 -23.000 1.00 0.00 O ATOM 987 C3' U B 520 -8.394 14.564 -21.723 1.00 0.00 C ATOM 988 O3' U B 520 -8.343 15.664 -20.816 1.00 0.00 O ATOM 989 C2' U B 520 -8.791 15.006 -23.104 1.00 0.00 C ATOM 990 O2' U B 520 -8.159 16.261 -23.222 1.00 0.00 O ATOM 991 C1' U B 520 -8.187 13.886 -23.945 1.00 0.00 C ATOM 992 N1 U B 520 -9.199 13.015 -24.581 1.00 0.00 N ATOM 993 C2 U B 520 -9.334 13.132 -25.930 1.00 0.00 C ATOM 994 O2 U B 520 -8.678 13.902 -26.612 1.00 0.00 O ATOM 995 N3 U B 520 -10.277 12.321 -26.522 1.00 0.00 N ATOM 996 C4 U B 520 -11.056 11.430 -25.829 1.00 0.00 C ATOM 997 O4 U B 520 -11.865 10.756 -26.464 1.00 0.00 O ATOM 998 C5 U B 520 -10.873 11.348 -24.424 1.00 0.00 C ATOM 999 C6 U B 520 -9.955 12.142 -23.869 1.00 0.00 C ATOM 0 H5' U B 520 -5.691 12.465 -21.081 1.00 0.00 H new ATOM 0 H5'' U B 520 -6.509 13.421 -19.861 1.00 0.00 H new ATOM 0 H4' U B 520 -6.175 14.682 -21.888 1.00 0.00 H new ATOM 0 H3' U B 520 -9.116 13.855 -21.319 1.00 0.00 H new ATOM 0 H2' U B 520 -9.839 15.137 -23.372 1.00 0.00 H new ATOM 0 HO2' U B 520 -8.043 16.654 -22.332 1.00 0.00 H new ATOM 0 H1' U B 520 -7.614 14.270 -24.789 1.00 0.00 H new ATOM 0 H3 U B 520 -10.403 12.387 -27.532 1.00 0.00 H new ATOM 0 H5 U B 520 -11.457 10.666 -23.824 1.00 0.00 H new ATOM 0 H6 U B 520 -9.807 12.087 -22.801 1.00 0.00 H new ATOM 1010 P G B 521 -8.837 15.478 -19.305 1.00 0.00 P ATOM 1011 OP1 G B 521 -8.767 16.775 -18.596 1.00 0.00 O ATOM 1012 OP2 G B 521 -8.141 14.325 -18.691 1.00 0.00 O ATOM 1013 O5' G B 521 -10.379 15.090 -19.477 1.00 0.00 O ATOM 1014 C5' G B 521 -10.783 13.724 -19.406 1.00 0.00 C ATOM 1015 C4' G B 521 -12.145 13.617 -18.757 1.00 0.00 C ATOM 1016 O4' G B 521 -12.834 12.653 -19.573 1.00 0.00 O ATOM 1017 C3' G B 521 -12.170 12.786 -17.478 1.00 0.00 C ATOM 1018 O3' G B 521 -11.975 13.640 -16.353 1.00 0.00 O ATOM 1019 C2' G B 521 -13.527 12.139 -17.451 1.00 0.00 C ATOM 1020 O2' G B 521 -14.363 13.192 -17.024 1.00 0.00 O ATOM 1021 C1' G B 521 -13.679 11.736 -18.915 1.00 0.00 C ATOM 1022 N9 G B 521 -13.269 10.342 -19.187 1.00 0.00 N ATOM 1023 C8 G B 521 -12.071 9.776 -18.933 1.00 0.00 C ATOM 1024 N7 G B 521 -12.020 8.498 -19.297 1.00 0.00 N ATOM 1025 C5 G B 521 -13.265 8.252 -19.811 1.00 0.00 C ATOM 1026 C6 G B 521 -13.836 7.086 -20.361 1.00 0.00 C ATOM 1027 O6 G B 521 -13.266 6.003 -20.483 1.00 0.00 O ATOM 1028 N1 G B 521 -15.124 7.163 -20.793 1.00 0.00 N ATOM 1029 C2 G B 521 -15.776 8.342 -20.672 1.00 0.00 C ATOM 1030 N2 G B 521 -17.020 8.256 -21.137 1.00 0.00 N ATOM 1031 N3 G B 521 -15.334 9.508 -20.166 1.00 0.00 N ATOM 1032 C4 G B 521 -14.044 9.364 -19.753 1.00 0.00 C ATOM 0 H5' G B 521 -10.053 13.150 -18.835 1.00 0.00 H new ATOM 0 H5'' G B 521 -10.814 13.293 -20.407 1.00 0.00 H new ATOM 0 H4' G B 521 -12.506 14.636 -18.616 1.00 0.00 H new ATOM 0 H3' G B 521 -11.381 12.035 -17.445 1.00 0.00 H new ATOM 0 H2' G B 521 -13.726 11.277 -16.814 1.00 0.00 H new ATOM 0 HO2' G B 521 -13.819 13.896 -16.614 1.00 0.00 H new ATOM 0 H1' G B 521 -14.718 11.766 -19.243 1.00 0.00 H new ATOM 0 H8 G B 521 -11.243 10.304 -18.483 1.00 0.00 H new ATOM 0 H1 G B 521 -15.587 6.350 -21.199 1.00 0.00 H new ATOM 0 H21 G B 521 -17.632 9.072 -21.110 1.00 0.00 H new ATOM 0 H22 G B 521 -17.361 7.375 -21.520 1.00 0.00 H new ATOM 1044 P C B 522 -11.289 13.070 -15.024 1.00 0.00 P ATOM 1045 OP1 C B 522 -9.925 13.630 -14.887 1.00 0.00 O ATOM 1046 OP2 C B 522 -11.430 11.597 -14.984 1.00 0.00 O ATOM 1047 O5' C B 522 -12.195 13.685 -13.859 1.00 0.00 O ATOM 1048 C5' C B 522 -11.649 14.653 -12.965 1.00 0.00 C ATOM 1049 C4' C B 522 -12.560 14.832 -11.773 1.00 0.00 C ATOM 1050 O4' C B 522 -13.943 14.899 -12.236 1.00 0.00 O ATOM 1051 C3' C B 522 -12.845 13.549 -10.998 1.00 0.00 C ATOM 1052 O3' C B 522 -11.746 13.262 -10.136 1.00 0.00 O ATOM 1053 C2' C B 522 -14.100 13.827 -10.218 1.00 0.00 C ATOM 1054 O2' C B 522 -13.623 14.574 -9.121 1.00 0.00 O ATOM 1055 C1' C B 522 -14.906 14.613 -11.246 1.00 0.00 C ATOM 1056 N1 C B 522 -16.043 13.855 -11.810 1.00 0.00 N ATOM 1057 C2 C B 522 -17.306 14.442 -11.753 1.00 0.00 C ATOM 1058 O2 C B 522 -17.417 15.559 -11.237 1.00 0.00 O ATOM 1059 N3 C B 522 -18.355 13.770 -12.260 1.00 0.00 N ATOM 1060 C4 C B 522 -18.220 12.579 -12.806 1.00 0.00 C ATOM 1061 N4 C B 522 -19.268 11.932 -13.301 1.00 0.00 N ATOM 1062 C5 C B 522 -16.921 11.949 -12.879 1.00 0.00 C ATOM 1063 C6 C B 522 -15.885 12.630 -12.370 1.00 0.00 C ATOM 0 H5' C B 522 -11.521 15.605 -13.481 1.00 0.00 H new ATOM 0 H5'' C B 522 -10.661 14.336 -12.633 1.00 0.00 H new ATOM 0 H4' C B 522 -12.083 15.652 -11.236 1.00 0.00 H new ATOM 0 H3' C B 522 -12.974 12.682 -11.645 1.00 0.00 H new ATOM 0 H2' C B 522 -14.709 13.013 -9.825 1.00 0.00 H new ATOM 0 HO2' C B 522 -12.704 14.302 -8.915 1.00 0.00 H new ATOM 0 H1' C B 522 -15.378 15.493 -10.810 1.00 0.00 H new ATOM 0 H41 C B 522 -19.147 11.010 -13.721 1.00 0.00 H new ATOM 0 H42 C B 522 -20.195 12.357 -13.262 1.00 0.00 H new ATOM 0 H5 C B 522 -16.791 10.973 -13.324 1.00 0.00 H new ATOM 0 H6 C B 522 -14.899 12.192 -12.407 1.00 0.00 H new ATOM 1075 P U B 523 -11.095 11.800 -10.131 1.00 0.00 P ATOM 1076 OP1 U B 523 -10.503 11.513 -11.457 1.00 0.00 O ATOM 1077 OP2 U B 523 -12.067 10.824 -9.592 1.00 0.00 O ATOM 1078 O5' U B 523 -9.900 11.942 -9.077 1.00 0.00 O ATOM 1079 C5' U B 523 -10.092 11.539 -7.723 1.00 0.00 C ATOM 1080 C4' U B 523 -9.156 12.305 -6.815 1.00 0.00 C ATOM 1081 O4' U B 523 -7.976 12.531 -7.632 1.00 0.00 O ATOM 1082 C3' U B 523 -9.438 13.803 -6.736 1.00 0.00 C ATOM 1083 O3' U B 523 -10.442 14.045 -5.738 1.00 0.00 O ATOM 1084 C2' U B 523 -8.125 14.436 -6.367 1.00 0.00 C ATOM 1085 O2' U B 523 -8.060 14.223 -4.974 1.00 0.00 O ATOM 1086 C1' U B 523 -7.161 13.600 -7.203 1.00 0.00 C ATOM 1087 N1 U B 523 -6.592 14.331 -8.354 1.00 0.00 N ATOM 1088 C2 U B 523 -5.235 14.446 -8.384 1.00 0.00 C ATOM 1089 O2 U B 523 -4.497 13.986 -7.527 1.00 0.00 O ATOM 1090 N3 U B 523 -4.703 15.129 -9.455 1.00 0.00 N ATOM 1091 C4 U B 523 -5.460 15.678 -10.459 1.00 0.00 C ATOM 1092 O4 U B 523 -4.876 16.266 -11.367 1.00 0.00 O ATOM 1093 C5 U B 523 -6.869 15.528 -10.379 1.00 0.00 C ATOM 1094 C6 U B 523 -7.365 14.863 -9.332 1.00 0.00 C ATOM 0 H5' U B 523 -9.911 10.469 -7.625 1.00 0.00 H new ATOM 0 H5'' U B 523 -11.126 11.716 -7.426 1.00 0.00 H new ATOM 0 H4' U B 523 -9.163 11.767 -5.867 1.00 0.00 H new ATOM 0 H3' U B 523 -9.816 14.216 -7.671 1.00 0.00 H new ATOM 0 H2' U B 523 -7.940 15.495 -6.550 1.00 0.00 H new ATOM 0 HO2' U B 523 -8.961 14.056 -4.626 1.00 0.00 H new ATOM 0 HO3' U B 523 -10.624 15.006 -5.684 1.00 0.00 H new ATOM 0 H1' U B 523 -6.283 13.296 -6.633 1.00 0.00 H new ATOM 0 H3 U B 523 -3.689 15.233 -9.505 1.00 0.00 H new ATOM 0 H5 U B 523 -7.518 15.938 -11.139 1.00 0.00 H new ATOM 0 H6 U B 523 -8.436 14.743 -9.261 1.00 0.00 H new TER 1105 U B 523 HETATM 1106 ZN ZN A 57 -14.046 -0.301 -23.071 1.00 0.00 ZN