USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 573 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 20 ASN :FLIP amide:sc= 0.272 F(o=-3.2!,f=0.51) USER MOD Set 1.2: B 20 ASN :FLIP amide:sc= 0.24 F(o=-3.2!,f=0.51) USER MOD Single : A 3 SER OG : rot 24:sc= 0.0958 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0273 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 19 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.25) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= 0.178 K(o=0.18,f=-1.2) USER MOD Single : A 25 ASN : amide:sc= 1.15 K(o=1.1,f=-0.12) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 22:sc= 0.155 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 82:sc= 1.3 USER MOD Single : B 17 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : B 19 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.2) USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4.4!) USER MOD Single : B 25 ASN : amide:sc= 1.3 K(o=1.3,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0645) USER MOD ----------------------------------------------------------------- ATOM 24 N SER A 3 -25.989 11.016 3.487 1.00 0.00 N ATOM 25 CA SER A 3 -25.045 10.718 2.409 1.00 0.00 C ATOM 26 C SER A 3 -23.608 10.699 2.937 1.00 0.00 C ATOM 27 O SER A 3 -22.645 10.687 2.166 1.00 0.00 O ATOM 28 CB SER A 3 -25.189 11.733 1.266 1.00 0.00 C ATOM 29 OG SER A 3 -26.525 11.767 0.787 1.00 0.00 O ATOM 0 HA SER A 3 -25.277 9.728 2.017 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.898 12.724 1.615 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.513 11.470 0.453 1.00 0.00 H new ATOM 0 HG SER A 3 -27.133 11.459 1.491 1.00 0.00 H new ATOM 35 N SER A 4 -23.484 10.653 4.261 1.00 0.00 N ATOM 36 CA SER A 4 -22.190 10.637 4.919 1.00 0.00 C ATOM 37 C SER A 4 -21.478 9.324 4.638 1.00 0.00 C ATOM 38 O SER A 4 -20.249 9.264 4.591 1.00 0.00 O ATOM 39 CB SER A 4 -22.381 10.824 6.421 1.00 0.00 C ATOM 40 OG SER A 4 -23.289 11.884 6.685 1.00 0.00 O ATOM 0 H SER A 4 -24.277 10.626 4.902 1.00 0.00 H new ATOM 0 HA SER A 4 -21.578 11.452 4.532 1.00 0.00 H new ATOM 0 HB2 SER A 4 -22.755 9.900 6.863 1.00 0.00 H new ATOM 0 HB3 SER A 4 -21.421 11.036 6.891 1.00 0.00 H new ATOM 0 HG SER A 4 -23.399 11.987 7.653 1.00 0.00 H new ATOM 46 N SER A 5 -22.270 8.280 4.435 1.00 0.00 N ATOM 47 CA SER A 5 -21.751 6.971 4.081 1.00 0.00 C ATOM 48 C SER A 5 -21.017 7.034 2.747 1.00 0.00 C ATOM 49 O SER A 5 -19.895 6.546 2.621 1.00 0.00 O ATOM 50 CB SER A 5 -22.908 5.972 4.018 1.00 0.00 C ATOM 51 OG SER A 5 -24.040 6.553 3.387 1.00 0.00 O ATOM 0 H SER A 5 -23.286 8.319 4.511 1.00 0.00 H new ATOM 0 HA SER A 5 -21.039 6.644 4.839 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.597 5.082 3.470 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.172 5.650 5.025 1.00 0.00 H new ATOM 0 HG SER A 5 -24.768 5.898 3.355 1.00 0.00 H new ATOM 57 N LEU A 6 -21.652 7.663 1.759 1.00 0.00 N ATOM 58 CA LEU A 6 -21.055 7.829 0.438 1.00 0.00 C ATOM 59 C LEU A 6 -19.773 8.648 0.552 1.00 0.00 C ATOM 60 O LEU A 6 -18.735 8.281 -0.010 1.00 0.00 O ATOM 61 CB LEU A 6 -22.064 8.511 -0.508 1.00 0.00 C ATOM 62 CG LEU A 6 -21.710 8.515 -2.004 1.00 0.00 C ATOM 63 CD1 LEU A 6 -22.957 8.780 -2.832 1.00 0.00 C ATOM 64 CD2 LEU A 6 -20.653 9.562 -2.326 1.00 0.00 C ATOM 0 H LEU A 6 -22.584 8.067 1.851 1.00 0.00 H new ATOM 0 HA LEU A 6 -20.803 6.853 0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -23.030 8.020 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -22.189 9.544 -0.185 1.00 0.00 H new ATOM 0 HG LEU A 6 -21.304 7.534 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -22.697 8.781 -3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -23.694 8.000 -2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -23.375 9.749 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -20.428 9.536 -3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -21.026 10.550 -2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -19.747 9.351 -1.759 1.00 0.00 H new ATOM 76 N GLU A 7 -19.857 9.746 1.299 1.00 0.00 N ATOM 77 CA GLU A 7 -18.716 10.626 1.526 1.00 0.00 C ATOM 78 C GLU A 7 -17.558 9.827 2.119 1.00 0.00 C ATOM 79 O GLU A 7 -16.445 9.863 1.601 1.00 0.00 O ATOM 80 CB GLU A 7 -19.130 11.771 2.465 1.00 0.00 C ATOM 81 CG GLU A 7 -18.219 12.993 2.436 1.00 0.00 C ATOM 82 CD GLU A 7 -16.999 12.870 3.329 1.00 0.00 C ATOM 83 OE1 GLU A 7 -17.167 12.613 4.540 1.00 0.00 O ATOM 84 OE2 GLU A 7 -15.871 13.079 2.833 1.00 0.00 O ATOM 0 H GLU A 7 -20.714 10.049 1.762 1.00 0.00 H new ATOM 0 HA GLU A 7 -18.387 11.055 0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -20.141 12.085 2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -19.166 11.388 3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -17.891 13.166 1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -18.792 13.869 2.739 1.00 0.00 H new ATOM 91 N ALA A 8 -17.849 9.067 3.170 1.00 0.00 N ATOM 92 CA ALA A 8 -16.835 8.290 3.874 1.00 0.00 C ATOM 93 C ALA A 8 -16.182 7.244 2.973 1.00 0.00 C ATOM 94 O ALA A 8 -14.980 7.007 3.070 1.00 0.00 O ATOM 95 CB ALA A 8 -17.440 7.623 5.099 1.00 0.00 C ATOM 0 H ALA A 8 -18.788 8.973 3.556 1.00 0.00 H new ATOM 0 HA ALA A 8 -16.054 8.983 4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -16.673 7.046 5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -17.835 8.385 5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -18.247 6.959 4.790 1.00 0.00 H new ATOM 101 N VAL A 9 -16.970 6.612 2.111 1.00 0.00 N ATOM 102 CA VAL A 9 -16.442 5.591 1.210 1.00 0.00 C ATOM 103 C VAL A 9 -15.449 6.194 0.220 1.00 0.00 C ATOM 104 O VAL A 9 -14.310 5.738 0.113 1.00 0.00 O ATOM 105 CB VAL A 9 -17.569 4.872 0.434 1.00 0.00 C ATOM 106 CG1 VAL A 9 -16.994 3.912 -0.597 1.00 0.00 C ATOM 107 CG2 VAL A 9 -18.487 4.125 1.388 1.00 0.00 C ATOM 0 H VAL A 9 -17.971 6.786 2.016 1.00 0.00 H new ATOM 0 HA VAL A 9 -15.929 4.858 1.832 1.00 0.00 H new ATOM 0 HB VAL A 9 -18.151 5.632 -0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.808 3.419 -1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -16.379 4.466 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -16.382 3.162 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -19.273 3.626 0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -17.911 3.382 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -18.936 4.830 2.088 1.00 0.00 H new ATOM 117 N ARG A 10 -15.880 7.231 -0.488 1.00 0.00 N ATOM 118 CA ARG A 10 -15.038 7.875 -1.494 1.00 0.00 C ATOM 119 C ARG A 10 -13.821 8.511 -0.821 1.00 0.00 C ATOM 120 O ARG A 10 -12.706 8.483 -1.349 1.00 0.00 O ATOM 121 CB ARG A 10 -15.860 8.925 -2.256 1.00 0.00 C ATOM 122 CG ARG A 10 -15.296 9.300 -3.618 1.00 0.00 C ATOM 123 CD ARG A 10 -14.171 10.320 -3.525 1.00 0.00 C ATOM 124 NE ARG A 10 -13.643 10.665 -4.843 1.00 0.00 N ATOM 125 CZ ARG A 10 -13.535 11.912 -5.300 1.00 0.00 C ATOM 126 NH1 ARG A 10 -13.945 12.936 -4.556 1.00 0.00 N ATOM 127 NH2 ARG A 10 -13.027 12.133 -6.506 1.00 0.00 N ATOM 0 H ARG A 10 -16.807 7.645 -0.386 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.682 7.132 -2.207 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.874 8.548 -2.388 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -15.931 9.825 -1.646 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -14.927 8.402 -4.114 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -16.096 9.702 -4.240 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.537 11.221 -3.032 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.368 9.921 -2.905 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.338 9.904 -5.451 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.344 12.768 -3.632 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.861 13.889 -4.909 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.720 11.349 -7.082 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.944 13.087 -6.857 1.00 0.00 H new ATOM 141 N ARG A 11 -14.056 9.063 0.355 1.00 0.00 N ATOM 142 CA ARG A 11 -13.013 9.655 1.175 1.00 0.00 C ATOM 143 C ARG A 11 -11.966 8.608 1.557 1.00 0.00 C ATOM 144 O ARG A 11 -10.764 8.822 1.390 1.00 0.00 O ATOM 145 CB ARG A 11 -13.665 10.235 2.426 1.00 0.00 C ATOM 146 CG ARG A 11 -12.735 10.959 3.368 1.00 0.00 C ATOM 147 CD ARG A 11 -13.512 11.446 4.575 1.00 0.00 C ATOM 148 NE ARG A 11 -12.697 12.230 5.493 1.00 0.00 N ATOM 149 CZ ARG A 11 -13.135 13.322 6.106 1.00 0.00 C ATOM 150 NH1 ARG A 11 -14.346 13.792 5.830 1.00 0.00 N ATOM 151 NH2 ARG A 11 -12.362 13.945 6.981 1.00 0.00 N ATOM 0 H ARG A 11 -14.985 9.114 0.773 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.504 10.441 0.617 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.451 10.925 2.118 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -14.148 9.424 2.972 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.931 10.294 3.684 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.269 11.802 2.858 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.355 12.050 4.239 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.925 10.588 5.105 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.741 11.924 5.674 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.936 13.314 5.149 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.686 14.631 6.299 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.429 13.586 7.184 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.699 14.785 7.452 1.00 0.00 H new ATOM 165 N LYS A 12 -12.438 7.467 2.049 1.00 0.00 N ATOM 166 CA LYS A 12 -11.556 6.403 2.510 1.00 0.00 C ATOM 167 C LYS A 12 -10.726 5.838 1.360 1.00 0.00 C ATOM 168 O LYS A 12 -9.510 5.705 1.484 1.00 0.00 O ATOM 169 CB LYS A 12 -12.366 5.286 3.169 1.00 0.00 C ATOM 170 CG LYS A 12 -11.532 4.139 3.736 1.00 0.00 C ATOM 171 CD LYS A 12 -10.811 4.516 5.028 1.00 0.00 C ATOM 172 CE LYS A 12 -9.572 5.368 4.779 1.00 0.00 C ATOM 173 NZ LYS A 12 -8.888 5.735 6.045 1.00 0.00 N ATOM 0 H LYS A 12 -13.432 7.256 2.139 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.875 6.830 3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.963 5.715 3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.064 4.881 2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.180 3.282 3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.798 3.827 2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.497 5.060 5.678 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.523 3.608 5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.880 4.823 4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.856 6.274 4.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.051 6.314 5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.540 6.277 6.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.594 4.871 6.544 1.00 0.00 H new ATOM 187 N ILE A 13 -11.376 5.519 0.244 1.00 0.00 N ATOM 188 CA ILE A 13 -10.671 4.921 -0.886 1.00 0.00 C ATOM 189 C ILE A 13 -9.607 5.871 -1.433 1.00 0.00 C ATOM 190 O ILE A 13 -8.509 5.439 -1.774 1.00 0.00 O ATOM 191 CB ILE A 13 -11.623 4.486 -2.028 1.00 0.00 C ATOM 192 CG1 ILE A 13 -12.422 5.676 -2.570 1.00 0.00 C ATOM 193 CG2 ILE A 13 -12.560 3.390 -1.537 1.00 0.00 C ATOM 194 CD1 ILE A 13 -13.304 5.337 -3.752 1.00 0.00 C ATOM 0 H ILE A 13 -12.375 5.662 0.098 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.191 4.022 -0.501 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.018 4.095 -2.846 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.043 6.078 -1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -11.728 6.464 -2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -13.226 3.091 -2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.975 2.530 -1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -13.151 3.764 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.836 6.231 -4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -12.688 4.964 -4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -14.024 4.572 -3.461 1.00 0.00 H new ATOM 206 N ARG A 14 -9.923 7.165 -1.489 1.00 0.00 N ATOM 207 CA ARG A 14 -8.955 8.164 -1.926 1.00 0.00 C ATOM 208 C ARG A 14 -7.761 8.201 -0.974 1.00 0.00 C ATOM 209 O ARG A 14 -6.607 8.227 -1.410 1.00 0.00 O ATOM 210 CB ARG A 14 -9.620 9.550 -2.035 1.00 0.00 C ATOM 211 CG ARG A 14 -8.646 10.692 -2.294 1.00 0.00 C ATOM 212 CD ARG A 14 -8.189 11.337 -0.993 1.00 0.00 C ATOM 213 NE ARG A 14 -6.980 12.143 -1.158 1.00 0.00 N ATOM 214 CZ ARG A 14 -6.615 13.116 -0.322 1.00 0.00 C ATOM 215 NH1 ARG A 14 -7.411 13.463 0.684 1.00 0.00 N ATOM 216 NH2 ARG A 14 -5.457 13.738 -0.491 1.00 0.00 N ATOM 0 H ARG A 14 -10.837 7.542 -1.238 1.00 0.00 H new ATOM 0 HA ARG A 14 -8.591 7.887 -2.915 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -10.355 9.525 -2.839 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -10.163 9.753 -1.112 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.780 10.317 -2.840 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -9.122 11.442 -2.926 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.990 11.966 -0.603 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.004 10.559 -0.252 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.380 11.950 -1.960 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.302 12.985 0.817 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.131 14.207 1.323 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.843 13.473 -1.261 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.179 14.482 0.149 1.00 0.00 H new ATOM 230 N SER A 15 -8.056 8.193 0.324 1.00 0.00 N ATOM 231 CA SER A 15 -7.024 8.224 1.350 1.00 0.00 C ATOM 232 C SER A 15 -6.123 6.995 1.240 1.00 0.00 C ATOM 233 O SER A 15 -4.896 7.107 1.239 1.00 0.00 O ATOM 234 CB SER A 15 -7.678 8.290 2.738 1.00 0.00 C ATOM 235 OG SER A 15 -6.713 8.425 3.770 1.00 0.00 O ATOM 0 H SER A 15 -9.008 8.165 0.689 1.00 0.00 H new ATOM 0 HA SER A 15 -6.406 9.111 1.206 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.369 9.132 2.774 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.266 7.388 2.906 1.00 0.00 H new ATOM 0 HG SER A 15 -7.166 8.465 4.638 1.00 0.00 H new ATOM 241 N LEU A 16 -6.743 5.825 1.107 1.00 0.00 N ATOM 242 CA LEU A 16 -6.010 4.571 1.026 1.00 0.00 C ATOM 243 C LEU A 16 -5.139 4.525 -0.220 1.00 0.00 C ATOM 244 O LEU A 16 -3.958 4.190 -0.142 1.00 0.00 O ATOM 245 CB LEU A 16 -6.977 3.386 1.043 1.00 0.00 C ATOM 246 CG LEU A 16 -7.754 3.204 2.348 1.00 0.00 C ATOM 247 CD1 LEU A 16 -8.771 2.084 2.211 1.00 0.00 C ATOM 248 CD2 LEU A 16 -6.803 2.921 3.500 1.00 0.00 C ATOM 0 H LEU A 16 -7.756 5.723 1.053 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.358 4.505 1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.690 3.506 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.414 2.474 0.843 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.288 4.130 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.314 1.969 3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.473 2.325 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.257 1.153 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.374 2.794 4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.242 2.010 3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.111 3.756 3.614 1.00 0.00 H new ATOM 260 N GLN A 17 -5.718 4.878 -1.368 1.00 0.00 N ATOM 261 CA GLN A 17 -4.977 4.867 -2.625 1.00 0.00 C ATOM 262 C GLN A 17 -3.714 5.712 -2.519 1.00 0.00 C ATOM 263 O GLN A 17 -2.617 5.223 -2.783 1.00 0.00 O ATOM 264 CB GLN A 17 -5.841 5.380 -3.781 1.00 0.00 C ATOM 265 CG GLN A 17 -6.952 4.427 -4.194 1.00 0.00 C ATOM 266 CD GLN A 17 -7.751 4.944 -5.375 1.00 0.00 C ATOM 267 OE1 GLN A 17 -7.230 5.665 -6.227 1.00 0.00 O ATOM 268 NE2 GLN A 17 -9.024 4.584 -5.433 1.00 0.00 N ATOM 0 H GLN A 17 -6.691 5.173 -1.451 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.697 3.833 -2.828 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.283 6.334 -3.495 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.201 5.571 -4.642 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.520 3.459 -4.447 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.621 4.266 -3.349 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.418 3.985 -4.707 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.610 4.905 -6.203 1.00 0.00 H new ATOM 277 N GLU A 18 -3.874 6.964 -2.104 1.00 0.00 N ATOM 278 CA GLU A 18 -2.747 7.885 -2.026 1.00 0.00 C ATOM 279 C GLU A 18 -1.700 7.380 -1.036 1.00 0.00 C ATOM 280 O GLU A 18 -0.503 7.410 -1.318 1.00 0.00 O ATOM 281 CB GLU A 18 -3.210 9.282 -1.616 1.00 0.00 C ATOM 282 CG GLU A 18 -2.116 10.332 -1.738 1.00 0.00 C ATOM 283 CD GLU A 18 -2.527 11.679 -1.187 1.00 0.00 C ATOM 284 OE1 GLU A 18 -3.514 12.257 -1.690 1.00 0.00 O ATOM 285 OE2 GLU A 18 -1.859 12.163 -0.245 1.00 0.00 O ATOM 0 H GLU A 18 -4.768 7.362 -1.818 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.298 7.940 -3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.057 9.574 -2.237 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.565 9.253 -0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.227 9.986 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.842 10.443 -2.787 1.00 0.00 H new ATOM 292 N GLN A 19 -2.161 6.909 0.118 1.00 0.00 N ATOM 293 CA GLN A 19 -1.265 6.406 1.151 1.00 0.00 C ATOM 294 C GLN A 19 -0.485 5.195 0.643 1.00 0.00 C ATOM 295 O GLN A 19 0.718 5.091 0.855 1.00 0.00 O ATOM 296 CB GLN A 19 -2.054 6.037 2.413 1.00 0.00 C ATOM 297 CG GLN A 19 -1.178 5.673 3.603 1.00 0.00 C ATOM 298 CD GLN A 19 -0.269 6.810 4.031 1.00 0.00 C ATOM 299 OE1 GLN A 19 0.862 6.930 3.558 1.00 0.00 O ATOM 300 NE2 GLN A 19 -0.761 7.661 4.916 1.00 0.00 N ATOM 0 H GLN A 19 -3.151 6.865 0.361 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.556 7.195 1.402 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.694 6.876 2.688 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.710 5.197 2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.812 5.385 4.441 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.571 4.804 3.350 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.703 7.527 5.284 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.199 8.452 5.231 1.00 0.00 H new ATOM 309 N ASN A 20 -1.176 4.289 -0.041 1.00 0.00 N ATOM 310 CA ASN A 20 -0.545 3.085 -0.581 1.00 0.00 C ATOM 311 C ASN A 20 0.497 3.444 -1.632 1.00 0.00 C ATOM 312 O ASN A 20 1.613 2.911 -1.622 1.00 0.00 O ATOM 313 CB ASN A 20 -1.594 2.135 -1.173 1.00 0.00 C ATOM 314 CG ASN A 20 -2.373 1.373 -0.110 1.00 0.00 C ATOM 315 OD1 ASN A 20 -2.502 1.956 1.076 1.00 0.00 O flip ATOM 316 ND2 ASN A 20 -2.844 0.262 -0.351 1.00 0.00 N flip ATOM 0 H ASN A 20 -2.174 4.364 -0.236 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.044 2.574 0.241 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.290 2.708 -1.785 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.100 1.423 -1.834 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.724 -0.153 -1.275 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.354 -0.244 0.373 1.00 0.00 H new ATOM 323 N TYR A 21 0.140 4.362 -2.528 1.00 0.00 N ATOM 324 CA TYR A 21 1.083 4.845 -3.527 1.00 0.00 C ATOM 325 C TYR A 21 2.276 5.491 -2.839 1.00 0.00 C ATOM 326 O TYR A 21 3.428 5.223 -3.179 1.00 0.00 O ATOM 327 CB TYR A 21 0.430 5.868 -4.462 1.00 0.00 C ATOM 328 CG TYR A 21 -0.687 5.315 -5.320 1.00 0.00 C ATOM 329 CD1 TYR A 21 -0.619 4.032 -5.848 1.00 0.00 C ATOM 330 CD2 TYR A 21 -1.809 6.083 -5.605 1.00 0.00 C ATOM 331 CE1 TYR A 21 -1.638 3.533 -6.634 1.00 0.00 C ATOM 332 CE2 TYR A 21 -2.830 5.590 -6.392 1.00 0.00 C ATOM 333 CZ TYR A 21 -2.740 4.315 -6.902 1.00 0.00 C ATOM 334 OH TYR A 21 -3.753 3.821 -7.690 1.00 0.00 O ATOM 0 H TYR A 21 -0.788 4.782 -2.581 1.00 0.00 H new ATOM 0 HA TYR A 21 1.408 3.990 -4.120 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.037 6.689 -3.863 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.197 6.287 -5.113 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.244 3.416 -5.641 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.884 7.083 -5.204 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.572 2.533 -7.037 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.694 6.201 -6.606 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.456 4.497 -7.781 1.00 0.00 H new ATOM 344 N HIS A 22 1.979 6.330 -1.855 1.00 0.00 N ATOM 345 CA HIS A 22 3.004 7.056 -1.118 1.00 0.00 C ATOM 346 C HIS A 22 3.957 6.084 -0.431 1.00 0.00 C ATOM 347 O HIS A 22 5.167 6.289 -0.436 1.00 0.00 O ATOM 348 CB HIS A 22 2.348 7.980 -0.085 1.00 0.00 C ATOM 349 CG HIS A 22 3.211 9.132 0.331 1.00 0.00 C ATOM 350 ND1 HIS A 22 2.697 10.313 0.824 1.00 0.00 N ATOM 351 CD2 HIS A 22 4.555 9.283 0.331 1.00 0.00 C ATOM 352 CE1 HIS A 22 3.688 11.141 1.099 1.00 0.00 C ATOM 353 NE2 HIS A 22 4.826 10.535 0.812 1.00 0.00 N ATOM 0 H HIS A 22 1.026 6.525 -1.547 1.00 0.00 H new ATOM 0 HA HIS A 22 3.579 7.661 -1.819 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.416 8.367 -0.497 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.088 7.396 0.798 1.00 0.00 H new ATOM 0 HD2 HIS A 22 5.281 8.550 0.010 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.586 12.142 1.491 1.00 0.00 H new ATOM 0 HE2 HIS A 22 5.757 10.936 0.930 1.00 0.00 H new ATOM 362 N LEU A 23 3.401 5.024 0.153 1.00 0.00 N ATOM 363 CA LEU A 23 4.206 4.000 0.814 1.00 0.00 C ATOM 364 C LEU A 23 5.225 3.401 -0.153 1.00 0.00 C ATOM 365 O LEU A 23 6.422 3.391 0.132 1.00 0.00 O ATOM 366 CB LEU A 23 3.320 2.889 1.389 1.00 0.00 C ATOM 367 CG LEU A 23 2.432 3.298 2.568 1.00 0.00 C ATOM 368 CD1 LEU A 23 1.566 2.128 3.009 1.00 0.00 C ATOM 369 CD2 LEU A 23 3.279 3.801 3.729 1.00 0.00 C ATOM 0 H LEU A 23 2.396 4.852 0.182 1.00 0.00 H new ATOM 0 HA LEU A 23 4.739 4.480 1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.682 2.507 0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.960 2.066 1.707 1.00 0.00 H new ATOM 0 HG LEU A 23 1.781 4.109 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.941 2.434 3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.933 1.812 2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.203 1.299 3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.629 4.087 4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.956 3.011 4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.859 4.666 3.408 1.00 0.00 H new ATOM 381 N GLU A 24 4.747 2.923 -1.298 1.00 0.00 N ATOM 382 CA GLU A 24 5.622 2.314 -2.300 1.00 0.00 C ATOM 383 C GLU A 24 6.640 3.316 -2.849 1.00 0.00 C ATOM 384 O GLU A 24 7.806 2.978 -3.041 1.00 0.00 O ATOM 385 CB GLU A 24 4.790 1.715 -3.434 1.00 0.00 C ATOM 386 CG GLU A 24 4.214 0.344 -3.103 1.00 0.00 C ATOM 387 CD GLU A 24 5.270 -0.746 -3.094 1.00 0.00 C ATOM 388 OE1 GLU A 24 5.957 -0.925 -2.064 1.00 0.00 O ATOM 389 OE2 GLU A 24 5.421 -1.434 -4.126 1.00 0.00 O ATOM 0 H GLU A 24 3.761 2.944 -1.557 1.00 0.00 H new ATOM 0 HA GLU A 24 6.182 1.516 -1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.973 2.396 -3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.411 1.634 -4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.730 0.383 -2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.443 0.092 -3.832 1.00 0.00 H new ATOM 396 N ASN A 25 6.202 4.546 -3.084 1.00 0.00 N ATOM 397 CA ASN A 25 7.100 5.590 -3.575 1.00 0.00 C ATOM 398 C ASN A 25 8.167 5.911 -2.537 1.00 0.00 C ATOM 399 O ASN A 25 9.357 6.014 -2.857 1.00 0.00 O ATOM 400 CB ASN A 25 6.323 6.861 -3.939 1.00 0.00 C ATOM 401 CG ASN A 25 5.701 6.805 -5.323 1.00 0.00 C ATOM 402 OD1 ASN A 25 6.308 7.228 -6.307 1.00 0.00 O ATOM 403 ND2 ASN A 25 4.488 6.286 -5.415 1.00 0.00 N ATOM 0 H ASN A 25 5.237 4.847 -2.945 1.00 0.00 H new ATOM 0 HA ASN A 25 7.585 5.214 -4.476 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.538 7.023 -3.201 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.994 7.718 -3.884 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.026 6.227 -6.323 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.014 5.945 -4.578 1.00 0.00 H new ATOM 410 N GLU A 26 7.744 6.040 -1.286 1.00 0.00 N ATOM 411 CA GLU A 26 8.643 6.432 -0.210 1.00 0.00 C ATOM 412 C GLU A 26 9.616 5.305 0.129 1.00 0.00 C ATOM 413 O GLU A 26 10.798 5.546 0.366 1.00 0.00 O ATOM 414 CB GLU A 26 7.842 6.826 1.036 1.00 0.00 C ATOM 415 CG GLU A 26 8.511 7.900 1.871 1.00 0.00 C ATOM 416 CD GLU A 26 8.582 9.226 1.141 1.00 0.00 C ATOM 417 OE1 GLU A 26 7.613 10.010 1.231 1.00 0.00 O ATOM 418 OE2 GLU A 26 9.599 9.492 0.466 1.00 0.00 O ATOM 0 H GLU A 26 6.781 5.878 -0.992 1.00 0.00 H new ATOM 0 HA GLU A 26 9.220 7.292 -0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.857 7.177 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.687 5.941 1.653 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.962 8.029 2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.518 7.578 2.136 1.00 0.00 H new ATOM 425 N VAL A 27 9.122 4.069 0.140 1.00 0.00 N ATOM 426 CA VAL A 27 9.972 2.925 0.439 1.00 0.00 C ATOM 427 C VAL A 27 10.974 2.709 -0.692 1.00 0.00 C ATOM 428 O VAL A 27 12.091 2.241 -0.463 1.00 0.00 O ATOM 429 CB VAL A 27 9.163 1.626 0.691 1.00 0.00 C ATOM 430 CG1 VAL A 27 8.504 1.123 -0.585 1.00 0.00 C ATOM 431 CG2 VAL A 27 10.054 0.549 1.300 1.00 0.00 C ATOM 0 H VAL A 27 8.147 3.838 -0.053 1.00 0.00 H new ATOM 0 HA VAL A 27 10.502 3.153 1.364 1.00 0.00 H new ATOM 0 HB VAL A 27 8.370 1.861 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.946 0.212 -0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.824 1.884 -0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.270 0.913 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.468 -0.355 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.875 0.327 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.457 0.904 2.249 1.00 0.00 H new ATOM 441 N ALA A 28 10.574 3.063 -1.914 1.00 0.00 N ATOM 442 CA ALA A 28 11.478 3.027 -3.053 1.00 0.00 C ATOM 443 C ALA A 28 12.638 3.984 -2.814 1.00 0.00 C ATOM 444 O ALA A 28 13.791 3.645 -3.071 1.00 0.00 O ATOM 445 CB ALA A 28 10.745 3.373 -4.340 1.00 0.00 C ATOM 0 H ALA A 28 9.629 3.377 -2.135 1.00 0.00 H new ATOM 0 HA ALA A 28 11.870 2.016 -3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.443 3.339 -5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.943 2.654 -4.507 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.323 4.375 -4.260 1.00 0.00 H new ATOM 451 N ARG A 29 12.322 5.174 -2.304 1.00 0.00 N ATOM 452 CA ARG A 29 13.350 6.130 -1.890 1.00 0.00 C ATOM 453 C ARG A 29 14.281 5.501 -0.861 1.00 0.00 C ATOM 454 O ARG A 29 15.501 5.543 -1.001 1.00 0.00 O ATOM 455 CB ARG A 29 12.719 7.392 -1.287 1.00 0.00 C ATOM 456 CG ARG A 29 12.503 8.531 -2.269 1.00 0.00 C ATOM 457 CD ARG A 29 11.604 8.131 -3.418 1.00 0.00 C ATOM 458 NE ARG A 29 11.210 9.290 -4.211 1.00 0.00 N ATOM 459 CZ ARG A 29 11.649 9.537 -5.445 1.00 0.00 C ATOM 460 NH1 ARG A 29 12.464 8.678 -6.049 1.00 0.00 N ATOM 461 NH2 ARG A 29 11.268 10.636 -6.076 1.00 0.00 N ATOM 0 H ARG A 29 11.365 5.499 -2.168 1.00 0.00 H new ATOM 0 HA ARG A 29 13.918 6.405 -2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.759 7.125 -0.846 1.00 0.00 H new ATOM 0 HB3 ARG A 29 13.355 7.747 -0.476 1.00 0.00 H new ATOM 0 HG2 ARG A 29 12.065 9.381 -1.746 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.466 8.859 -2.660 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.121 7.412 -4.053 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.715 7.633 -3.031 1.00 0.00 H new ATOM 0 HE ARG A 29 10.557 9.954 -3.795 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.755 7.827 -5.568 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.798 8.870 -6.993 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.638 11.295 -5.618 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.604 10.824 -7.020 1.00 0.00 H new ATOM 475 N LEU A 30 13.680 4.907 0.163 1.00 0.00 N ATOM 476 CA LEU A 30 14.420 4.316 1.270 1.00 0.00 C ATOM 477 C LEU A 30 15.375 3.221 0.791 1.00 0.00 C ATOM 478 O LEU A 30 16.578 3.281 1.056 1.00 0.00 O ATOM 479 CB LEU A 30 13.444 3.745 2.300 1.00 0.00 C ATOM 480 CG LEU A 30 14.088 3.104 3.529 1.00 0.00 C ATOM 481 CD1 LEU A 30 14.881 4.130 4.324 1.00 0.00 C ATOM 482 CD2 LEU A 30 13.026 2.460 4.399 1.00 0.00 C ATOM 0 H LEU A 30 12.667 4.822 0.249 1.00 0.00 H new ATOM 0 HA LEU A 30 15.020 5.102 1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.784 4.546 2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.818 3.000 1.808 1.00 0.00 H new ATOM 0 HG LEU A 30 14.780 2.332 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.329 3.649 5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.667 4.549 3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.216 4.928 4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.496 2.007 5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.313 3.218 4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.504 1.692 3.828 1.00 0.00 H new ATOM 494 N LYS A 31 14.851 2.234 0.072 1.00 0.00 N ATOM 495 CA LYS A 31 15.662 1.092 -0.338 1.00 0.00 C ATOM 496 C LYS A 31 16.665 1.475 -1.422 1.00 0.00 C ATOM 497 O LYS A 31 17.712 0.842 -1.552 1.00 0.00 O ATOM 498 CB LYS A 31 14.785 -0.077 -0.795 1.00 0.00 C ATOM 499 CG LYS A 31 13.895 0.224 -1.986 1.00 0.00 C ATOM 500 CD LYS A 31 13.040 -0.981 -2.336 1.00 0.00 C ATOM 501 CE LYS A 31 12.103 -0.691 -3.494 1.00 0.00 C ATOM 502 NZ LYS A 31 11.273 -1.876 -3.829 1.00 0.00 N ATOM 0 H LYS A 31 13.879 2.200 -0.236 1.00 0.00 H new ATOM 0 HA LYS A 31 16.227 0.768 0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.429 -0.920 -1.044 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.158 -0.391 0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.255 1.077 -1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.508 0.502 -2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.685 -1.822 -2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.458 -1.279 -1.464 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.456 0.148 -3.239 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.683 -0.392 -4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.644 -1.645 -4.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.891 -2.669 -4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.702 -2.145 -3.002 1.00 0.00 H new ATOM 516 N LYS A 32 16.368 2.518 -2.183 1.00 0.00 N ATOM 517 CA LYS A 32 17.301 2.984 -3.196 1.00 0.00 C ATOM 518 C LYS A 32 18.380 3.839 -2.543 1.00 0.00 C ATOM 519 O LYS A 32 19.474 4.000 -3.080 1.00 0.00 O ATOM 520 CB LYS A 32 16.578 3.781 -4.285 1.00 0.00 C ATOM 521 CG LYS A 32 17.383 3.912 -5.567 1.00 0.00 C ATOM 522 CD LYS A 32 17.668 2.550 -6.177 1.00 0.00 C ATOM 523 CE LYS A 32 18.568 2.649 -7.395 1.00 0.00 C ATOM 524 NZ LYS A 32 18.806 1.315 -8.005 1.00 0.00 N ATOM 0 H LYS A 32 15.501 3.051 -2.120 1.00 0.00 H new ATOM 0 HA LYS A 32 17.763 2.117 -3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 32 15.627 3.298 -4.509 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.348 4.776 -3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 32 16.836 4.527 -6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 32 18.322 4.424 -5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 32 18.138 1.910 -5.430 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.728 2.075 -6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.114 3.311 -8.132 1.00 0.00 H new ATOM 0 HE3 LYS A 32 19.521 3.095 -7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.425 1.418 -8.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 19.262 0.691 -7.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 17.898 0.901 -8.299 1.00 0.00 H new ATOM 538 N LEU A 33 18.062 4.378 -1.370 1.00 0.00 N ATOM 539 CA LEU A 33 19.012 5.177 -0.610 1.00 0.00 C ATOM 540 C LEU A 33 20.031 4.277 0.083 1.00 0.00 C ATOM 541 O LEU A 33 21.212 4.609 0.162 1.00 0.00 O ATOM 542 CB LEU A 33 18.278 6.029 0.430 1.00 0.00 C ATOM 543 CG LEU A 33 19.167 6.925 1.293 1.00 0.00 C ATOM 544 CD1 LEU A 33 19.851 7.982 0.442 1.00 0.00 C ATOM 545 CD2 LEU A 33 18.354 7.573 2.402 1.00 0.00 C ATOM 0 H LEU A 33 17.150 4.274 -0.925 1.00 0.00 H new ATOM 0 HA LEU A 33 19.537 5.836 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.552 6.657 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.715 5.365 1.086 1.00 0.00 H new ATOM 0 HG LEU A 33 19.938 6.305 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 33 20.479 8.609 1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 33 20.468 7.497 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.097 8.600 -0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 33 19.003 8.207 3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.560 8.178 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.915 6.799 3.031 1.00 0.00 H new ATOM 557 N VAL A 34 19.566 3.144 0.595 1.00 0.00 N ATOM 558 CA VAL A 34 20.449 2.199 1.266 1.00 0.00 C ATOM 559 C VAL A 34 21.124 1.271 0.253 1.00 0.00 C ATOM 560 O VAL A 34 22.285 0.900 0.415 1.00 0.00 O ATOM 561 CB VAL A 34 19.698 1.372 2.344 1.00 0.00 C ATOM 562 CG1 VAL A 34 18.561 0.565 1.737 1.00 0.00 C ATOM 563 CG2 VAL A 34 20.656 0.462 3.100 1.00 0.00 C ATOM 0 H VAL A 34 18.587 2.858 0.559 1.00 0.00 H new ATOM 0 HA VAL A 34 21.219 2.781 1.774 1.00 0.00 H new ATOM 0 HB VAL A 34 19.265 2.079 3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 34 18.058 -0.001 2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.849 1.240 1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.960 -0.123 0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 34 20.104 -0.106 3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 34 21.132 -0.226 2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 34 21.419 1.065 3.592 1.00 0.00 H new ATOM 573 N GLY A 35 20.398 0.922 -0.801 1.00 0.00 N ATOM 574 CA GLY A 35 20.938 0.033 -1.812 1.00 0.00 C ATOM 575 C GLY A 35 21.899 0.737 -2.747 1.00 0.00 C ATOM 576 O GLY A 35 23.003 0.250 -2.990 1.00 0.00 O ATOM 0 H GLY A 35 19.444 1.239 -0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.451 -0.797 -1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.119 -0.394 -2.391 1.00 0.00 H new ATOM 580 N GLU A 36 21.470 1.888 -3.263 1.00 0.00 N ATOM 581 CA GLU A 36 22.276 2.688 -4.184 1.00 0.00 C ATOM 582 C GLU A 36 22.673 1.868 -5.411 1.00 0.00 C ATOM 583 O GLU A 36 21.960 0.942 -5.804 1.00 0.00 O ATOM 584 CB GLU A 36 23.524 3.228 -3.477 1.00 0.00 C ATOM 585 CG GLU A 36 23.216 4.030 -2.223 1.00 0.00 C ATOM 586 CD GLU A 36 24.438 4.711 -1.650 1.00 0.00 C ATOM 587 OE1 GLU A 36 25.344 4.007 -1.156 1.00 0.00 O ATOM 588 OE2 GLU A 36 24.498 5.957 -1.691 1.00 0.00 O ATOM 0 H GLU A 36 20.556 2.291 -3.055 1.00 0.00 H new ATOM 0 HA GLU A 36 21.672 3.532 -4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 36 24.172 2.392 -3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 36 24.081 3.856 -4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 36 22.461 4.782 -2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 36 22.787 3.369 -1.470 1.00 0.00 H new ATOM 655 N SER B 4 -22.144 -8.799 -7.747 1.00 0.00 N ATOM 656 CA SER B 4 -20.914 -8.839 -8.496 1.00 0.00 C ATOM 657 C SER B 4 -19.896 -7.929 -7.845 1.00 0.00 C ATOM 658 O SER B 4 -18.754 -8.312 -7.674 1.00 0.00 O ATOM 659 CB SER B 4 -21.165 -8.408 -9.938 1.00 0.00 C ATOM 660 OG SER B 4 -22.230 -9.146 -10.511 1.00 0.00 O ATOM 0 HA SER B 4 -20.528 -9.858 -8.502 1.00 0.00 H new ATOM 0 HB2 SER B 4 -21.398 -7.344 -9.968 1.00 0.00 H new ATOM 0 HB3 SER B 4 -20.259 -8.552 -10.527 1.00 0.00 H new ATOM 0 HG SER B 4 -22.796 -9.510 -9.799 1.00 0.00 H new ATOM 666 N SER B 5 -20.345 -6.745 -7.442 1.00 0.00 N ATOM 667 CA SER B 5 -19.489 -5.758 -6.832 1.00 0.00 C ATOM 668 C SER B 5 -18.942 -6.277 -5.522 1.00 0.00 C ATOM 669 O SER B 5 -17.802 -6.017 -5.199 1.00 0.00 O ATOM 670 CB SER B 5 -20.266 -4.462 -6.607 1.00 0.00 C ATOM 671 OG SER B 5 -20.917 -4.057 -7.800 1.00 0.00 O ATOM 0 H SER B 5 -21.317 -6.451 -7.534 1.00 0.00 H new ATOM 0 HA SER B 5 -18.652 -5.555 -7.500 1.00 0.00 H new ATOM 0 HB2 SER B 5 -21.002 -4.605 -5.816 1.00 0.00 H new ATOM 0 HB3 SER B 5 -19.587 -3.678 -6.273 1.00 0.00 H new ATOM 0 HG SER B 5 -21.411 -3.226 -7.637 1.00 0.00 H new ATOM 677 N LEU B 6 -19.762 -7.042 -4.799 1.00 0.00 N ATOM 678 CA LEU B 6 -19.394 -7.604 -3.514 1.00 0.00 C ATOM 679 C LEU B 6 -18.082 -8.358 -3.642 1.00 0.00 C ATOM 680 O LEU B 6 -17.188 -8.162 -2.841 1.00 0.00 O ATOM 681 CB LEU B 6 -20.505 -8.540 -3.018 1.00 0.00 C ATOM 682 CG LEU B 6 -20.717 -8.590 -1.499 1.00 0.00 C ATOM 683 CD1 LEU B 6 -21.923 -9.453 -1.161 1.00 0.00 C ATOM 684 CD2 LEU B 6 -19.479 -9.118 -0.785 1.00 0.00 C ATOM 0 H LEU B 6 -20.706 -7.286 -5.098 1.00 0.00 H new ATOM 0 HA LEU B 6 -19.267 -6.800 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -21.442 -8.238 -3.486 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -20.285 -9.549 -3.367 1.00 0.00 H new ATOM 0 HG LEU B 6 -20.899 -7.572 -1.154 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -22.060 -9.479 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -22.813 -9.034 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -21.761 -10.466 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -19.661 -9.141 0.289 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -19.258 -10.125 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -18.632 -8.466 -0.995 1.00 0.00 H new ATOM 696 N GLU B 7 -17.971 -9.182 -4.683 1.00 0.00 N ATOM 697 CA GLU B 7 -16.777 -9.970 -4.934 1.00 0.00 C ATOM 698 C GLU B 7 -15.553 -9.074 -4.993 1.00 0.00 C ATOM 699 O GLU B 7 -14.592 -9.298 -4.275 1.00 0.00 O ATOM 700 CB GLU B 7 -16.916 -10.741 -6.248 1.00 0.00 C ATOM 701 CG GLU B 7 -18.104 -11.687 -6.280 1.00 0.00 C ATOM 702 CD GLU B 7 -18.015 -12.778 -5.235 1.00 0.00 C ATOM 703 OE1 GLU B 7 -17.220 -13.722 -5.420 1.00 0.00 O ATOM 704 OE2 GLU B 7 -18.748 -12.704 -4.226 1.00 0.00 O ATOM 0 H GLU B 7 -18.710 -9.318 -5.373 1.00 0.00 H new ATOM 0 HA GLU B 7 -16.657 -10.680 -4.116 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -17.008 -10.029 -7.068 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -16.004 -11.312 -6.422 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -19.020 -11.117 -6.126 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -18.174 -12.142 -7.268 1.00 0.00 H new ATOM 711 N ALA B 8 -15.623 -8.041 -5.826 1.00 0.00 N ATOM 712 CA ALA B 8 -14.518 -7.128 -6.025 1.00 0.00 C ATOM 713 C ALA B 8 -14.191 -6.406 -4.734 1.00 0.00 C ATOM 714 O ALA B 8 -13.053 -6.422 -4.302 1.00 0.00 O ATOM 715 CB ALA B 8 -14.844 -6.133 -7.130 1.00 0.00 C ATOM 0 H ALA B 8 -16.450 -7.818 -6.379 1.00 0.00 H new ATOM 0 HA ALA B 8 -13.642 -7.702 -6.328 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -14.003 -5.453 -7.267 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -15.032 -6.670 -8.060 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -15.731 -5.562 -6.855 1.00 0.00 H new ATOM 721 N VAL B 9 -15.211 -5.822 -4.104 1.00 0.00 N ATOM 722 CA VAL B 9 -15.036 -5.062 -2.882 1.00 0.00 C ATOM 723 C VAL B 9 -14.398 -5.924 -1.813 1.00 0.00 C ATOM 724 O VAL B 9 -13.477 -5.483 -1.153 1.00 0.00 O ATOM 725 CB VAL B 9 -16.380 -4.495 -2.361 1.00 0.00 C ATOM 726 CG1 VAL B 9 -16.184 -3.751 -1.048 1.00 0.00 C ATOM 727 CG2 VAL B 9 -17.012 -3.574 -3.395 1.00 0.00 C ATOM 0 H VAL B 9 -16.176 -5.867 -4.431 1.00 0.00 H new ATOM 0 HA VAL B 9 -14.381 -4.222 -3.112 1.00 0.00 H new ATOM 0 HB VAL B 9 -17.051 -5.336 -2.184 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -17.142 -3.363 -0.703 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -15.779 -4.433 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -15.490 -2.924 -1.199 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -17.955 -3.187 -3.009 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -16.337 -2.744 -3.604 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -17.197 -4.131 -4.313 1.00 0.00 H new ATOM 737 N ARG B 10 -14.872 -7.163 -1.689 1.00 0.00 N ATOM 738 CA ARG B 10 -14.361 -8.105 -0.709 1.00 0.00 C ATOM 739 C ARG B 10 -12.851 -8.193 -0.779 1.00 0.00 C ATOM 740 O ARG B 10 -12.172 -7.842 0.171 1.00 0.00 O ATOM 741 CB ARG B 10 -14.971 -9.495 -0.928 1.00 0.00 C ATOM 742 CG ARG B 10 -14.393 -10.569 -0.018 1.00 0.00 C ATOM 743 CD ARG B 10 -15.000 -11.935 -0.300 1.00 0.00 C ATOM 744 NE ARG B 10 -16.420 -11.990 0.043 1.00 0.00 N ATOM 745 CZ ARG B 10 -17.390 -12.268 -0.824 1.00 0.00 C ATOM 746 NH1 ARG B 10 -17.104 -12.468 -2.105 1.00 0.00 N ATOM 747 NH2 ARG B 10 -18.642 -12.350 -0.403 1.00 0.00 N ATOM 0 H ARG B 10 -15.623 -7.537 -2.269 1.00 0.00 H new ATOM 0 HA ARG B 10 -14.644 -7.744 0.280 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -16.048 -9.438 -0.769 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -14.817 -9.790 -1.966 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -13.312 -10.617 -0.153 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -14.573 -10.299 1.023 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -14.873 -12.176 -1.355 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -14.461 -12.694 0.267 1.00 0.00 H new ATOM 0 HE ARG B 10 -16.684 -11.803 1.010 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -16.138 -12.409 -2.427 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -17.850 -12.681 -2.767 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -18.860 -12.200 0.582 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -19.389 -12.563 -1.064 1.00 0.00 H new ATOM 761 N ARG B 11 -12.324 -8.621 -1.922 1.00 0.00 N ATOM 762 CA ARG B 11 -10.904 -8.823 -2.053 1.00 0.00 C ATOM 763 C ARG B 11 -10.184 -7.493 -1.985 1.00 0.00 C ATOM 764 O ARG B 11 -9.107 -7.420 -1.438 1.00 0.00 O ATOM 765 CB ARG B 11 -10.554 -9.556 -3.350 1.00 0.00 C ATOM 766 CG ARG B 11 -9.074 -9.906 -3.453 1.00 0.00 C ATOM 767 CD ARG B 11 -8.780 -10.803 -4.644 1.00 0.00 C ATOM 768 NE ARG B 11 -9.109 -10.169 -5.920 1.00 0.00 N ATOM 769 CZ ARG B 11 -8.211 -9.869 -6.860 1.00 0.00 C ATOM 770 NH1 ARG B 11 -6.919 -10.092 -6.649 1.00 0.00 N ATOM 771 NH2 ARG B 11 -8.604 -9.341 -8.012 1.00 0.00 N ATOM 0 H ARG B 11 -12.864 -8.831 -2.761 1.00 0.00 H new ATOM 0 HA ARG B 11 -10.576 -9.451 -1.225 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -11.144 -10.470 -3.415 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -10.835 -8.934 -4.200 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.490 -8.989 -3.537 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -8.755 -10.404 -2.537 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -7.724 -11.074 -4.639 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -9.347 -11.729 -4.546 1.00 0.00 H new ATOM 0 HE ARG B 11 -10.086 -9.942 -6.103 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -6.609 -10.495 -5.765 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -6.237 -9.861 -7.371 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -9.594 -9.164 -8.180 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -7.916 -9.112 -8.729 1.00 0.00 H new ATOM 785 N LYS B 12 -10.809 -6.446 -2.510 1.00 0.00 N ATOM 786 CA LYS B 12 -10.222 -5.120 -2.516 1.00 0.00 C ATOM 787 C LYS B 12 -9.892 -4.680 -1.098 1.00 0.00 C ATOM 788 O LYS B 12 -8.732 -4.460 -0.786 1.00 0.00 O ATOM 789 CB LYS B 12 -11.175 -4.117 -3.178 1.00 0.00 C ATOM 790 CG LYS B 12 -10.643 -2.688 -3.263 1.00 0.00 C ATOM 791 CD LYS B 12 -9.534 -2.529 -4.302 1.00 0.00 C ATOM 792 CE LYS B 12 -8.199 -3.067 -3.809 1.00 0.00 C ATOM 793 NZ LYS B 12 -7.111 -2.860 -4.799 1.00 0.00 N ATOM 0 H LYS B 12 -11.732 -6.496 -2.941 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.298 -5.153 -3.093 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -11.404 -4.465 -4.185 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -12.113 -4.108 -2.623 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -11.464 -2.014 -3.508 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -10.265 -2.387 -2.286 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -9.818 -3.051 -5.216 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -9.426 -1.475 -4.557 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -7.934 -2.575 -2.873 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -8.295 -4.131 -3.594 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -6.220 -3.242 -4.421 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -7.350 -3.350 -5.685 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -7.000 -1.843 -4.985 1.00 0.00 H new ATOM 807 N ILE B 13 -10.905 -4.610 -0.236 1.00 0.00 N ATOM 808 CA ILE B 13 -10.725 -4.100 1.106 1.00 0.00 C ATOM 809 C ILE B 13 -9.813 -5.008 1.905 1.00 0.00 C ATOM 810 O ILE B 13 -9.022 -4.528 2.690 1.00 0.00 O ATOM 811 CB ILE B 13 -12.067 -3.913 1.852 1.00 0.00 C ATOM 812 CG1 ILE B 13 -12.831 -5.240 1.954 1.00 0.00 C ATOM 813 CG2 ILE B 13 -12.910 -2.857 1.150 1.00 0.00 C ATOM 814 CD1 ILE B 13 -14.111 -5.145 2.753 1.00 0.00 C ATOM 0 H ILE B 13 -11.858 -4.903 -0.452 1.00 0.00 H new ATOM 0 HA ILE B 13 -10.264 -3.117 1.009 1.00 0.00 H new ATOM 0 HB ILE B 13 -11.854 -3.575 2.866 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -13.066 -5.592 0.949 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -12.183 -5.988 2.411 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -13.853 -2.732 1.682 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -12.371 -1.910 1.139 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -13.110 -3.173 0.126 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -14.596 -6.121 2.781 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -13.883 -4.824 3.769 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -14.779 -4.422 2.285 1.00 0.00 H new ATOM 826 N ARG B 14 -9.894 -6.313 1.667 1.00 0.00 N ATOM 827 CA ARG B 14 -9.093 -7.266 2.393 1.00 0.00 C ATOM 828 C ARG B 14 -7.637 -7.133 1.997 1.00 0.00 C ATOM 829 O ARG B 14 -6.771 -7.178 2.849 1.00 0.00 O ATOM 830 CB ARG B 14 -9.595 -8.690 2.166 1.00 0.00 C ATOM 831 CG ARG B 14 -10.964 -8.943 2.777 1.00 0.00 C ATOM 832 CD ARG B 14 -11.368 -10.400 2.653 1.00 0.00 C ATOM 833 NE ARG B 14 -10.390 -11.291 3.271 1.00 0.00 N ATOM 834 CZ ARG B 14 -10.443 -11.691 4.539 1.00 0.00 C ATOM 835 NH1 ARG B 14 -11.447 -11.313 5.321 1.00 0.00 N ATOM 836 NH2 ARG B 14 -9.492 -12.472 5.023 1.00 0.00 N ATOM 0 H ARG B 14 -10.513 -6.727 0.970 1.00 0.00 H new ATOM 0 HA ARG B 14 -9.182 -7.052 3.458 1.00 0.00 H new ATOM 0 HB2 ARG B 14 -9.640 -8.887 1.095 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -8.879 -9.394 2.590 1.00 0.00 H new ATOM 0 HG2 ARG B 14 -10.953 -8.656 3.828 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -11.706 -8.315 2.283 1.00 0.00 H new ATOM 0 HD2 ARG B 14 -12.341 -10.548 3.122 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -11.479 -10.658 1.600 1.00 0.00 H new ATOM 0 HE ARG B 14 -9.618 -11.628 2.695 1.00 0.00 H new ATOM 0 HH11 ARG B 14 -12.184 -10.712 4.951 1.00 0.00 H new ATOM 0 HH12 ARG B 14 -11.482 -11.623 6.292 1.00 0.00 H new ATOM 0 HH21 ARG B 14 -8.720 -12.766 4.425 1.00 0.00 H new ATOM 0 HH22 ARG B 14 -9.530 -12.780 5.995 1.00 0.00 H new ATOM 850 N SER B 15 -7.379 -6.936 0.707 1.00 0.00 N ATOM 851 CA SER B 15 -6.032 -6.746 0.220 1.00 0.00 C ATOM 852 C SER B 15 -5.435 -5.511 0.856 1.00 0.00 C ATOM 853 O SER B 15 -4.301 -5.539 1.288 1.00 0.00 O ATOM 854 CB SER B 15 -6.012 -6.630 -1.306 1.00 0.00 C ATOM 855 OG SER B 15 -6.515 -7.813 -1.910 1.00 0.00 O ATOM 0 H SER B 15 -8.096 -6.905 -0.018 1.00 0.00 H new ATOM 0 HA SER B 15 -5.433 -7.615 0.493 1.00 0.00 H new ATOM 0 HB2 SER B 15 -6.611 -5.774 -1.618 1.00 0.00 H new ATOM 0 HB3 SER B 15 -4.993 -6.447 -1.648 1.00 0.00 H new ATOM 0 HG SER B 15 -7.495 -7.789 -1.909 1.00 0.00 H new ATOM 861 N LEU B 16 -6.230 -4.449 0.949 1.00 0.00 N ATOM 862 CA LEU B 16 -5.800 -3.220 1.582 1.00 0.00 C ATOM 863 C LEU B 16 -5.331 -3.508 2.996 1.00 0.00 C ATOM 864 O LEU B 16 -4.243 -3.119 3.366 1.00 0.00 O ATOM 865 CB LEU B 16 -6.940 -2.201 1.596 1.00 0.00 C ATOM 866 CG LEU B 16 -7.427 -1.758 0.212 1.00 0.00 C ATOM 867 CD1 LEU B 16 -8.700 -0.935 0.327 1.00 0.00 C ATOM 868 CD2 LEU B 16 -6.347 -0.962 -0.508 1.00 0.00 C ATOM 0 H LEU B 16 -7.184 -4.422 0.588 1.00 0.00 H new ATOM 0 HA LEU B 16 -4.971 -2.799 1.013 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -7.782 -2.627 2.142 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -6.614 -1.320 2.149 1.00 0.00 H new ATOM 0 HG LEU B 16 -7.646 -2.652 -0.372 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -9.028 -0.631 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -9.479 -1.534 0.799 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -8.507 -0.049 0.932 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -6.713 -0.657 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -6.096 -0.077 0.077 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -5.458 -1.581 -0.629 1.00 0.00 H new ATOM 880 N GLN B 17 -6.148 -4.233 3.756 1.00 0.00 N ATOM 881 CA GLN B 17 -5.828 -4.599 5.124 1.00 0.00 C ATOM 882 C GLN B 17 -4.469 -5.271 5.188 1.00 0.00 C ATOM 883 O GLN B 17 -3.603 -4.828 5.926 1.00 0.00 O ATOM 884 CB GLN B 17 -6.896 -5.540 5.687 1.00 0.00 C ATOM 885 CG GLN B 17 -8.284 -4.922 5.748 1.00 0.00 C ATOM 886 CD GLN B 17 -9.352 -5.930 6.120 1.00 0.00 C ATOM 887 OE1 GLN B 17 -9.094 -6.893 6.843 1.00 0.00 O ATOM 888 NE2 GLN B 17 -10.562 -5.714 5.628 1.00 0.00 N ATOM 0 H GLN B 17 -7.051 -4.582 3.435 1.00 0.00 H new ATOM 0 HA GLN B 17 -5.803 -3.690 5.725 1.00 0.00 H new ATOM 0 HB2 GLN B 17 -6.935 -6.440 5.073 1.00 0.00 H new ATOM 0 HB3 GLN B 17 -6.602 -5.851 6.689 1.00 0.00 H new ATOM 0 HG2 GLN B 17 -8.285 -4.111 6.476 1.00 0.00 H new ATOM 0 HG3 GLN B 17 -8.525 -4.482 4.780 1.00 0.00 H new ATOM 0 HE21 GLN B 17 -10.733 -4.904 5.033 1.00 0.00 H new ATOM 0 HE22 GLN B 17 -11.323 -6.358 5.844 1.00 0.00 H new ATOM 897 N GLU B 18 -4.288 -6.311 4.375 1.00 0.00 N ATOM 898 CA GLU B 18 -3.067 -7.095 4.372 1.00 0.00 C ATOM 899 C GLU B 18 -1.902 -6.233 3.917 1.00 0.00 C ATOM 900 O GLU B 18 -0.991 -5.985 4.685 1.00 0.00 O ATOM 901 CB GLU B 18 -3.219 -8.308 3.443 1.00 0.00 C ATOM 902 CG GLU B 18 -2.469 -9.557 3.902 1.00 0.00 C ATOM 903 CD GLU B 18 -0.967 -9.367 4.026 1.00 0.00 C ATOM 904 OE1 GLU B 18 -0.257 -9.476 3.001 1.00 0.00 O ATOM 905 OE2 GLU B 18 -0.484 -9.143 5.154 1.00 0.00 O ATOM 0 H GLU B 18 -4.987 -6.628 3.703 1.00 0.00 H new ATOM 0 HA GLU B 18 -2.873 -7.451 5.384 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -4.278 -8.549 3.352 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -2.868 -8.034 2.448 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -2.866 -9.872 4.867 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -2.665 -10.365 3.198 1.00 0.00 H new ATOM 912 N GLN B 19 -1.984 -5.730 2.688 1.00 0.00 N ATOM 913 CA GLN B 19 -0.889 -5.019 2.056 1.00 0.00 C ATOM 914 C GLN B 19 -0.435 -3.835 2.879 1.00 0.00 C ATOM 915 O GLN B 19 0.750 -3.612 2.990 1.00 0.00 O ATOM 916 CB GLN B 19 -1.272 -4.560 0.646 1.00 0.00 C ATOM 917 CG GLN B 19 -0.945 -5.577 -0.442 1.00 0.00 C ATOM 918 CD GLN B 19 -1.670 -6.899 -0.271 1.00 0.00 C ATOM 919 OE1 GLN B 19 -2.773 -7.086 -0.785 1.00 0.00 O ATOM 920 NE2 GLN B 19 -1.056 -7.827 0.445 1.00 0.00 N ATOM 0 H GLN B 19 -2.817 -5.807 2.105 1.00 0.00 H new ATOM 0 HA GLN B 19 -0.057 -5.719 1.986 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -2.341 -4.346 0.621 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -0.755 -3.626 0.425 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -1.202 -5.154 -1.413 1.00 0.00 H new ATOM 0 HG3 GLN B 19 0.130 -5.759 -0.447 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -0.142 -7.633 0.855 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -1.496 -8.736 0.587 1.00 0.00 H new ATOM 929 N ASN B 20 -1.367 -3.099 3.475 1.00 0.00 N ATOM 930 CA ASN B 20 -1.012 -1.915 4.241 1.00 0.00 C ATOM 931 C ASN B 20 -0.195 -2.311 5.453 1.00 0.00 C ATOM 932 O ASN B 20 0.897 -1.809 5.632 1.00 0.00 O ATOM 933 CB ASN B 20 -2.249 -1.112 4.657 1.00 0.00 C ATOM 934 CG ASN B 20 -2.853 -0.325 3.500 1.00 0.00 C ATOM 935 OD1 ASN B 20 -2.734 -0.852 2.289 1.00 0.00 O flip ATOM 936 ND2 ASN B 20 -3.420 0.749 3.693 1.00 0.00 N flip ATOM 0 H ASN B 20 -2.366 -3.301 3.442 1.00 0.00 H new ATOM 0 HA ASN B 20 -0.412 -1.268 3.602 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -3.000 -1.791 5.061 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -1.978 -0.424 5.458 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -3.493 1.124 4.639 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -3.817 1.264 2.908 1.00 0.00 H new ATOM 943 N TYR B 21 -0.705 -3.253 6.242 1.00 0.00 N ATOM 944 CA TYR B 21 0.003 -3.753 7.404 1.00 0.00 C ATOM 945 C TYR B 21 1.320 -4.359 6.965 1.00 0.00 C ATOM 946 O TYR B 21 2.345 -4.133 7.584 1.00 0.00 O ATOM 947 CB TYR B 21 -0.853 -4.802 8.133 1.00 0.00 C ATOM 948 CG TYR B 21 -0.150 -5.502 9.280 1.00 0.00 C ATOM 949 CD1 TYR B 21 -0.041 -4.902 10.529 1.00 0.00 C ATOM 950 CD2 TYR B 21 0.396 -6.767 9.114 1.00 0.00 C ATOM 951 CE1 TYR B 21 0.593 -5.541 11.577 1.00 0.00 C ATOM 952 CE2 TYR B 21 1.034 -7.413 10.156 1.00 0.00 C ATOM 953 CZ TYR B 21 1.129 -6.797 11.385 1.00 0.00 C ATOM 954 OH TYR B 21 1.760 -7.438 12.426 1.00 0.00 O ATOM 0 H TYR B 21 -1.616 -3.686 6.090 1.00 0.00 H new ATOM 0 HA TYR B 21 0.199 -2.931 8.092 1.00 0.00 H new ATOM 0 HB2 TYR B 21 -1.751 -4.317 8.516 1.00 0.00 H new ATOM 0 HB3 TYR B 21 -1.179 -5.552 7.412 1.00 0.00 H new ATOM 0 HD1 TYR B 21 -0.460 -3.918 10.683 1.00 0.00 H new ATOM 0 HD2 TYR B 21 0.321 -7.255 8.154 1.00 0.00 H new ATOM 0 HE1 TYR B 21 0.668 -5.060 12.541 1.00 0.00 H new ATOM 0 HE2 TYR B 21 1.456 -8.396 10.008 1.00 0.00 H new ATOM 0 HH TYR B 21 2.080 -8.314 12.125 1.00 0.00 H new ATOM 964 N HIS B 22 1.264 -5.097 5.865 1.00 0.00 N ATOM 965 CA HIS B 22 2.410 -5.769 5.288 1.00 0.00 C ATOM 966 C HIS B 22 3.518 -4.768 5.001 1.00 0.00 C ATOM 967 O HIS B 22 4.598 -4.868 5.561 1.00 0.00 O ATOM 968 CB HIS B 22 1.976 -6.466 3.994 1.00 0.00 C ATOM 969 CG HIS B 22 2.848 -7.605 3.565 1.00 0.00 C ATOM 970 ND1 HIS B 22 2.354 -8.868 3.332 1.00 0.00 N ATOM 971 CD2 HIS B 22 4.172 -7.665 3.281 1.00 0.00 C ATOM 972 CE1 HIS B 22 3.333 -9.655 2.932 1.00 0.00 C ATOM 973 NE2 HIS B 22 4.449 -8.952 2.886 1.00 0.00 N ATOM 0 H HIS B 22 0.401 -5.246 5.342 1.00 0.00 H new ATOM 0 HA HIS B 22 2.793 -6.508 5.991 1.00 0.00 H new ATOM 0 HB2 HIS B 22 0.958 -6.835 4.122 1.00 0.00 H new ATOM 0 HB3 HIS B 22 1.949 -5.727 3.193 1.00 0.00 H new ATOM 0 HD1 HIS B 22 1.381 -9.151 3.450 1.00 0.00 H new ATOM 0 HD2 HIS B 22 4.879 -6.852 3.352 1.00 0.00 H new ATOM 0 HE1 HIS B 22 3.238 -10.702 2.683 1.00 0.00 H new ATOM 982 N LEU B 23 3.219 -3.781 4.160 1.00 0.00 N ATOM 983 CA LEU B 23 4.206 -2.830 3.701 1.00 0.00 C ATOM 984 C LEU B 23 4.629 -1.906 4.825 1.00 0.00 C ATOM 985 O LEU B 23 5.765 -1.488 4.861 1.00 0.00 O ATOM 986 CB LEU B 23 3.670 -2.015 2.523 1.00 0.00 C ATOM 987 CG LEU B 23 3.285 -2.832 1.288 1.00 0.00 C ATOM 988 CD1 LEU B 23 2.779 -1.920 0.179 1.00 0.00 C ATOM 989 CD2 LEU B 23 4.466 -3.657 0.802 1.00 0.00 C ATOM 0 H LEU B 23 2.284 -3.625 3.783 1.00 0.00 H new ATOM 0 HA LEU B 23 5.079 -3.391 3.366 1.00 0.00 H new ATOM 0 HB2 LEU B 23 2.796 -1.456 2.856 1.00 0.00 H new ATOM 0 HB3 LEU B 23 4.425 -1.284 2.234 1.00 0.00 H new ATOM 0 HG LEU B 23 2.481 -3.514 1.566 1.00 0.00 H new ATOM 0 HD11 LEU B 23 2.510 -2.519 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU B 23 1.903 -1.374 0.528 1.00 0.00 H new ATOM 0 HD13 LEU B 23 3.561 -1.213 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU B 23 4.172 -4.231 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU B 23 5.291 -2.994 0.543 1.00 0.00 H new ATOM 0 HD23 LEU B 23 4.783 -4.339 1.591 1.00 0.00 H new ATOM 1001 N GLU B 24 3.714 -1.614 5.741 1.00 0.00 N ATOM 1002 CA GLU B 24 3.997 -0.744 6.863 1.00 0.00 C ATOM 1003 C GLU B 24 5.131 -1.325 7.686 1.00 0.00 C ATOM 1004 O GLU B 24 6.088 -0.637 7.983 1.00 0.00 O ATOM 1005 CB GLU B 24 2.746 -0.563 7.725 1.00 0.00 C ATOM 1006 CG GLU B 24 2.913 0.439 8.855 1.00 0.00 C ATOM 1007 CD GLU B 24 1.615 0.691 9.590 1.00 0.00 C ATOM 1008 OE1 GLU B 24 1.303 -0.060 10.537 1.00 0.00 O ATOM 1009 OE2 GLU B 24 0.892 1.640 9.218 1.00 0.00 O ATOM 0 H GLU B 24 2.760 -1.975 5.723 1.00 0.00 H new ATOM 0 HA GLU B 24 4.297 0.235 6.489 1.00 0.00 H new ATOM 0 HB2 GLU B 24 1.922 -0.242 7.088 1.00 0.00 H new ATOM 0 HB3 GLU B 24 2.466 -1.528 8.147 1.00 0.00 H new ATOM 0 HG2 GLU B 24 3.661 0.071 9.557 1.00 0.00 H new ATOM 0 HG3 GLU B 24 3.289 1.379 8.452 1.00 0.00 H new ATOM 1016 N ASN B 25 5.031 -2.608 8.007 1.00 0.00 N ATOM 1017 CA ASN B 25 6.067 -3.283 8.757 1.00 0.00 C ATOM 1018 C ASN B 25 7.308 -3.410 7.909 1.00 0.00 C ATOM 1019 O ASN B 25 8.399 -3.213 8.396 1.00 0.00 O ATOM 1020 CB ASN B 25 5.600 -4.664 9.226 1.00 0.00 C ATOM 1021 CG ASN B 25 4.686 -4.586 10.432 1.00 0.00 C ATOM 1022 OD1 ASN B 25 5.145 -4.645 11.575 1.00 0.00 O ATOM 1023 ND2 ASN B 25 3.393 -4.438 10.195 1.00 0.00 N ATOM 0 H ASN B 25 4.238 -3.199 7.756 1.00 0.00 H new ATOM 0 HA ASN B 25 6.294 -2.689 9.643 1.00 0.00 H new ATOM 0 HB2 ASN B 25 5.079 -5.165 8.410 1.00 0.00 H new ATOM 0 HB3 ASN B 25 6.469 -5.275 9.471 1.00 0.00 H new ATOM 0 HD21 ASN B 25 2.737 -4.368 10.973 1.00 0.00 H new ATOM 0 HD22 ASN B 25 3.052 -4.394 9.235 1.00 0.00 H new ATOM 1030 N GLU B 26 7.112 -3.703 6.628 1.00 0.00 N ATOM 1031 CA GLU B 26 8.198 -3.858 5.679 1.00 0.00 C ATOM 1032 C GLU B 26 9.117 -2.646 5.719 1.00 0.00 C ATOM 1033 O GLU B 26 10.288 -2.776 6.044 1.00 0.00 O ATOM 1034 CB GLU B 26 7.621 -4.048 4.275 1.00 0.00 C ATOM 1035 CG GLU B 26 8.662 -4.261 3.192 1.00 0.00 C ATOM 1036 CD GLU B 26 9.425 -5.556 3.358 1.00 0.00 C ATOM 1037 OE1 GLU B 26 8.825 -6.634 3.149 1.00 0.00 O ATOM 1038 OE2 GLU B 26 10.629 -5.506 3.668 1.00 0.00 O ATOM 0 H GLU B 26 6.187 -3.840 6.220 1.00 0.00 H new ATOM 0 HA GLU B 26 8.786 -4.736 5.946 1.00 0.00 H new ATOM 0 HB2 GLU B 26 6.946 -4.904 4.286 1.00 0.00 H new ATOM 0 HB3 GLU B 26 7.023 -3.173 4.020 1.00 0.00 H new ATOM 0 HG2 GLU B 26 8.173 -4.255 2.218 1.00 0.00 H new ATOM 0 HG3 GLU B 26 9.364 -3.427 3.201 1.00 0.00 H new ATOM 1045 N VAL B 27 8.568 -1.466 5.439 1.00 0.00 N ATOM 1046 CA VAL B 27 9.353 -0.255 5.374 1.00 0.00 C ATOM 1047 C VAL B 27 9.970 0.048 6.728 1.00 0.00 C ATOM 1048 O VAL B 27 11.101 0.485 6.791 1.00 0.00 O ATOM 1049 CB VAL B 27 8.515 0.953 4.870 1.00 0.00 C ATOM 1050 CG1 VAL B 27 7.347 1.253 5.794 1.00 0.00 C ATOM 1051 CG2 VAL B 27 9.388 2.185 4.697 1.00 0.00 C ATOM 0 H VAL B 27 7.574 -1.332 5.254 1.00 0.00 H new ATOM 0 HA VAL B 27 10.152 -0.419 4.651 1.00 0.00 H new ATOM 0 HB VAL B 27 8.106 0.679 3.898 1.00 0.00 H new ATOM 0 HG11 VAL B 27 6.786 2.104 5.407 1.00 0.00 H new ATOM 0 HG12 VAL B 27 6.694 0.382 5.849 1.00 0.00 H new ATOM 0 HG13 VAL B 27 7.722 1.488 6.790 1.00 0.00 H new ATOM 0 HG21 VAL B 27 8.778 3.016 4.344 1.00 0.00 H new ATOM 0 HG22 VAL B 27 9.840 2.448 5.653 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.173 1.976 3.970 1.00 0.00 H new ATOM 1061 N ALA B 28 9.240 -0.244 7.801 1.00 0.00 N ATOM 1062 CA ALA B 28 9.704 0.010 9.147 1.00 0.00 C ATOM 1063 C ALA B 28 10.981 -0.755 9.423 1.00 0.00 C ATOM 1064 O ALA B 28 11.950 -0.181 9.887 1.00 0.00 O ATOM 1065 CB ALA B 28 8.632 -0.362 10.161 1.00 0.00 C ATOM 0 H ALA B 28 8.311 -0.663 7.754 1.00 0.00 H new ATOM 0 HA ALA B 28 9.913 1.076 9.242 1.00 0.00 H new ATOM 0 HB1 ALA B 28 8.999 -0.164 11.168 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.736 0.232 9.978 1.00 0.00 H new ATOM 0 HB3 ALA B 28 8.391 -1.421 10.064 1.00 0.00 H new ATOM 1071 N ARG B 29 10.987 -2.039 9.089 1.00 0.00 N ATOM 1072 CA ARG B 29 12.126 -2.892 9.338 1.00 0.00 C ATOM 1073 C ARG B 29 13.327 -2.387 8.564 1.00 0.00 C ATOM 1074 O ARG B 29 14.429 -2.405 9.073 1.00 0.00 O ATOM 1075 CB ARG B 29 11.812 -4.335 8.940 1.00 0.00 C ATOM 1076 CG ARG B 29 10.584 -4.904 9.631 1.00 0.00 C ATOM 1077 CD ARG B 29 10.793 -5.045 11.130 1.00 0.00 C ATOM 1078 NE ARG B 29 11.645 -6.187 11.460 1.00 0.00 N ATOM 1079 CZ ARG B 29 12.131 -6.429 12.677 1.00 0.00 C ATOM 1080 NH1 ARG B 29 11.919 -5.571 13.667 1.00 0.00 N ATOM 1081 NH2 ARG B 29 12.836 -7.530 12.905 1.00 0.00 N ATOM 0 H ARG B 29 10.202 -2.511 8.640 1.00 0.00 H new ATOM 0 HA ARG B 29 12.353 -2.870 10.404 1.00 0.00 H new ATOM 0 HB2 ARG B 29 11.665 -4.382 7.861 1.00 0.00 H new ATOM 0 HB3 ARG B 29 12.673 -4.962 9.172 1.00 0.00 H new ATOM 0 HG2 ARG B 29 9.728 -4.256 9.443 1.00 0.00 H new ATOM 0 HG3 ARG B 29 10.346 -5.878 9.204 1.00 0.00 H new ATOM 0 HD2 ARG B 29 11.243 -4.132 11.521 1.00 0.00 H new ATOM 0 HD3 ARG B 29 9.827 -5.160 11.621 1.00 0.00 H new ATOM 0 HE ARG B 29 11.882 -6.839 10.712 1.00 0.00 H new ATOM 0 HH11 ARG B 29 11.381 -4.721 13.499 1.00 0.00 H new ATOM 0 HH12 ARG B 29 12.294 -5.762 14.596 1.00 0.00 H new ATOM 0 HH21 ARG B 29 13.006 -8.192 12.148 1.00 0.00 H new ATOM 0 HH22 ARG B 29 13.207 -7.714 13.837 1.00 0.00 H new ATOM 1095 N LEU B 30 13.085 -1.898 7.353 1.00 0.00 N ATOM 1096 CA LEU B 30 14.138 -1.452 6.474 1.00 0.00 C ATOM 1097 C LEU B 30 14.763 -0.170 6.995 1.00 0.00 C ATOM 1098 O LEU B 30 15.973 -0.070 7.060 1.00 0.00 O ATOM 1099 CB LEU B 30 13.597 -1.250 5.057 1.00 0.00 C ATOM 1100 CG LEU B 30 14.645 -0.878 4.007 1.00 0.00 C ATOM 1101 CD1 LEU B 30 15.712 -1.960 3.909 1.00 0.00 C ATOM 1102 CD2 LEU B 30 13.985 -0.660 2.656 1.00 0.00 C ATOM 0 H LEU B 30 12.148 -1.803 6.961 1.00 0.00 H new ATOM 0 HA LEU B 30 14.911 -2.220 6.444 1.00 0.00 H new ATOM 0 HB2 LEU B 30 13.099 -2.167 4.741 1.00 0.00 H new ATOM 0 HB3 LEU B 30 12.838 -0.468 5.083 1.00 0.00 H new ATOM 0 HG LEU B 30 15.125 0.051 4.313 1.00 0.00 H new ATOM 0 HD11 LEU B 30 16.449 -1.677 3.157 1.00 0.00 H new ATOM 0 HD12 LEU B 30 16.205 -2.074 4.875 1.00 0.00 H new ATOM 0 HD13 LEU B 30 15.248 -2.904 3.625 1.00 0.00 H new ATOM 0 HD21 LEU B 30 14.743 -0.396 1.919 1.00 0.00 H new ATOM 0 HD22 LEU B 30 13.480 -1.575 2.346 1.00 0.00 H new ATOM 0 HD23 LEU B 30 13.257 0.148 2.733 1.00 0.00 H new ATOM 1114 N LYS B 31 13.942 0.794 7.402 1.00 0.00 N ATOM 1115 CA LYS B 31 14.453 2.067 7.863 1.00 0.00 C ATOM 1116 C LYS B 31 15.140 1.901 9.202 1.00 0.00 C ATOM 1117 O LYS B 31 16.042 2.639 9.512 1.00 0.00 O ATOM 1118 CB LYS B 31 13.349 3.140 7.918 1.00 0.00 C ATOM 1119 CG LYS B 31 12.124 2.772 8.740 1.00 0.00 C ATOM 1120 CD LYS B 31 12.233 3.240 10.182 1.00 0.00 C ATOM 1121 CE LYS B 31 10.938 2.984 10.937 1.00 0.00 C ATOM 1122 NZ LYS B 31 10.941 3.592 12.292 1.00 0.00 N ATOM 0 H LYS B 31 12.925 0.712 7.419 1.00 0.00 H new ATOM 0 HA LYS B 31 15.191 2.418 7.142 1.00 0.00 H new ATOM 0 HB2 LYS B 31 13.776 4.057 8.324 1.00 0.00 H new ATOM 0 HB3 LYS B 31 13.030 3.361 6.900 1.00 0.00 H new ATOM 0 HG2 LYS B 31 11.238 3.213 8.284 1.00 0.00 H new ATOM 0 HG3 LYS B 31 11.988 1.691 8.721 1.00 0.00 H new ATOM 0 HD2 LYS B 31 13.055 2.721 10.676 1.00 0.00 H new ATOM 0 HD3 LYS B 31 12.468 4.304 10.206 1.00 0.00 H new ATOM 0 HE2 LYS B 31 10.102 3.385 10.364 1.00 0.00 H new ATOM 0 HE3 LYS B 31 10.778 1.909 11.025 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 10.037 3.389 12.765 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 11.722 3.192 12.850 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 11.066 4.621 12.210 1.00 0.00 H new ATOM 1136 N LYS B 32 14.724 0.902 9.971 1.00 0.00 N ATOM 1137 CA LYS B 32 15.387 0.585 11.229 1.00 0.00 C ATOM 1138 C LYS B 32 16.743 -0.076 10.967 1.00 0.00 C ATOM 1139 O LYS B 32 17.669 0.042 11.767 1.00 0.00 O ATOM 1140 CB LYS B 32 14.500 -0.339 12.075 1.00 0.00 C ATOM 1141 CG LYS B 32 15.166 -0.834 13.351 1.00 0.00 C ATOM 1142 CD LYS B 32 15.451 0.302 14.322 1.00 0.00 C ATOM 1143 CE LYS B 32 16.415 -0.136 15.418 1.00 0.00 C ATOM 1144 NZ LYS B 32 15.925 -1.327 16.160 1.00 0.00 N ATOM 0 H LYS B 32 13.933 0.299 9.746 1.00 0.00 H new ATOM 0 HA LYS B 32 15.554 1.512 11.778 1.00 0.00 H new ATOM 0 HB2 LYS B 32 13.585 0.192 12.337 1.00 0.00 H new ATOM 0 HB3 LYS B 32 14.208 -1.199 11.472 1.00 0.00 H new ATOM 0 HG2 LYS B 32 14.523 -1.571 13.833 1.00 0.00 H new ATOM 0 HG3 LYS B 32 16.099 -1.340 13.101 1.00 0.00 H new ATOM 0 HD2 LYS B 32 15.873 1.149 13.781 1.00 0.00 H new ATOM 0 HD3 LYS B 32 14.518 0.643 14.770 1.00 0.00 H new ATOM 0 HE2 LYS B 32 17.386 -0.361 14.976 1.00 0.00 H new ATOM 0 HE3 LYS B 32 16.565 0.687 16.116 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 16.552 -1.515 16.968 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 14.960 -1.148 16.505 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 15.919 -2.152 15.527 1.00 0.00 H new ATOM 1158 N LEU B 33 16.848 -0.747 9.824 1.00 0.00 N ATOM 1159 CA LEU B 33 18.035 -1.521 9.470 1.00 0.00 C ATOM 1160 C LEU B 33 19.257 -0.610 9.299 1.00 0.00 C ATOM 1161 O LEU B 33 20.346 -0.928 9.776 1.00 0.00 O ATOM 1162 CB LEU B 33 17.763 -2.311 8.174 1.00 0.00 C ATOM 1163 CG LEU B 33 18.643 -3.546 7.911 1.00 0.00 C ATOM 1164 CD1 LEU B 33 20.074 -3.154 7.565 1.00 0.00 C ATOM 1165 CD2 LEU B 33 18.620 -4.475 9.110 1.00 0.00 C ATOM 0 H LEU B 33 16.113 -0.770 9.117 1.00 0.00 H new ATOM 0 HA LEU B 33 18.254 -2.218 10.279 1.00 0.00 H new ATOM 0 HB2 LEU B 33 16.722 -2.633 8.186 1.00 0.00 H new ATOM 0 HB3 LEU B 33 17.876 -1.629 7.331 1.00 0.00 H new ATOM 0 HG LEU B 33 18.230 -4.071 7.050 1.00 0.00 H new ATOM 0 HD11 LEU B 33 20.664 -4.053 7.386 1.00 0.00 H new ATOM 0 HD12 LEU B 33 20.075 -2.535 6.668 1.00 0.00 H new ATOM 0 HD13 LEU B 33 20.508 -2.594 8.393 1.00 0.00 H new ATOM 0 HD21 LEU B 33 19.247 -5.344 8.909 1.00 0.00 H new ATOM 0 HD22 LEU B 33 18.999 -3.948 9.986 1.00 0.00 H new ATOM 0 HD23 LEU B 33 17.597 -4.801 9.298 1.00 0.00 H new ATOM 1177 N VAL B 34 19.069 0.524 8.627 1.00 0.00 N ATOM 1178 CA VAL B 34 20.182 1.418 8.306 1.00 0.00 C ATOM 1179 C VAL B 34 20.819 2.014 9.570 1.00 0.00 C ATOM 1180 O VAL B 34 22.039 2.184 9.637 1.00 0.00 O ATOM 1181 CB VAL B 34 19.742 2.550 7.339 1.00 0.00 C ATOM 1182 CG1 VAL B 34 18.675 3.437 7.959 1.00 0.00 C ATOM 1183 CG2 VAL B 34 20.935 3.378 6.900 1.00 0.00 C ATOM 0 H VAL B 34 18.160 0.846 8.295 1.00 0.00 H new ATOM 0 HA VAL B 34 20.936 0.812 7.804 1.00 0.00 H new ATOM 0 HB VAL B 34 19.306 2.075 6.460 1.00 0.00 H new ATOM 0 HG11 VAL B 34 18.394 4.217 7.251 1.00 0.00 H new ATOM 0 HG12 VAL B 34 17.799 2.836 8.204 1.00 0.00 H new ATOM 0 HG13 VAL B 34 19.066 3.895 8.867 1.00 0.00 H new ATOM 0 HG21 VAL B 34 20.602 4.165 6.223 1.00 0.00 H new ATOM 0 HG22 VAL B 34 21.408 3.827 7.774 1.00 0.00 H new ATOM 0 HG23 VAL B 34 21.653 2.738 6.387 1.00 0.00 H new ATOM 1193 N GLY B 35 20.001 2.323 10.565 1.00 0.00 N ATOM 1194 CA GLY B 35 20.525 2.836 11.815 1.00 0.00 C ATOM 1195 C GLY B 35 20.923 1.718 12.757 1.00 0.00 C ATOM 1196 O GLY B 35 22.093 1.587 13.126 1.00 0.00 O ATOM 0 H GLY B 35 18.986 2.228 10.530 1.00 0.00 H new ATOM 0 HA2 GLY B 35 21.390 3.468 11.615 1.00 0.00 H new ATOM 0 HA3 GLY B 35 19.774 3.465 12.293 1.00 0.00 H new