USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 693 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 44 TYR OH : rot 180:sc= 0.585 USER MOD Set 1.2: A 48 LYS NZ :NH3+ -133:sc= 1.17 (180deg=-0.128) USER MOD Set 2.1: A 43 TYR OH : rot -154:sc= 1.11 USER MOD Set 2.2: A 65 GLN : amide:sc= -2.15 K(o=-1,f=0.15) USER MOD Set 3.1: A 10 TYR OH : rot 40:sc= 0.319 USER MOD Set 3.2: A 14 GLN : amide:sc= -0.667 K(o=-0.92,f=0.16) USER MOD Set 3.3: A 45 HIS : no HD1:sc= -0.571 K(o=-0.92,f=0.16) USER MOD Single : A 8 THR OG1 : rot 159:sc= 0.181 USER MOD Single : A 16 HIS : no HD1:sc= -0.0572 X(o=-0.057,f=-0.07) USER MOD Single : A 18 LYS NZ :NH3+ 156:sc= 1.24 (180deg=1.14) USER MOD Single : A 19 HIS : no HD1:sc= -0.551 K(o=-0.55,f=0.13) USER MOD Single : A 21 ASN : amide:sc= -0.0818 K(o=-0.082,f=-2!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -84:sc= 1.04 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0746 USER MOD Single : A 42 THR OG1 : rot 54:sc= -0.325 USER MOD Single : A 50 TYR OH : rot 24:sc= 0.352 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 75:sc= 0.565 USER MOD Single : A 63 TYR OH : rot -160:sc= 0.544 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 76 GLN : amide:sc= -2.31 X(o=-2.3,f=-2.3!) USER MOD Single : A 77 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0569) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.03 K(o=-1,f=-0.0074) USER MOD Single : A 86 LYS NZ :NH3+ -155:sc= 1.22 (180deg=0.414) USER MOD Single : A 88 LYS NZ :NH3+ -169:sc= 0.267 (180deg=0.00797!) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 1.822 0.293 -4.576 1.00 45.41 N ATOM 19 CA ASP A 2 1.097 -0.827 -5.177 1.00 50.31 C ATOM 20 C ASP A 2 1.557 -1.049 -6.630 1.00 23.20 C ATOM 21 O ASP A 2 2.118 -0.142 -7.251 1.00 64.40 O ATOM 22 CB ASP A 2 -0.409 -0.535 -5.143 1.00 14.10 C ATOM 23 CG ASP A 2 -0.902 -0.227 -3.741 1.00 1.32 C ATOM 24 OD1 ASP A 2 -0.754 0.930 -3.295 1.00 52.02 O ATOM 25 OD2 ASP A 2 -1.434 -1.138 -3.075 1.00 74.13 O ATOM 0 HA ASP A 2 1.306 -1.732 -4.607 1.00 50.31 H new ATOM 0 HB2 ASP A 2 -0.629 0.309 -5.797 1.00 14.10 H new ATOM 0 HB3 ASP A 2 -0.953 -1.394 -5.537 1.00 14.10 H new ATOM 30 N PRO A 3 1.317 -2.249 -7.207 1.00 54.11 N ATOM 31 CA PRO A 3 1.660 -2.536 -8.618 1.00 33.21 C ATOM 32 C PRO A 3 1.036 -1.533 -9.613 1.00 64.21 C ATOM 33 O PRO A 3 1.377 -1.517 -10.798 1.00 11.34 O ATOM 34 CB PRO A 3 1.089 -3.947 -8.840 1.00 75.21 C ATOM 35 CG PRO A 3 1.033 -4.554 -7.478 1.00 24.34 C ATOM 36 CD PRO A 3 0.718 -3.422 -6.537 1.00 33.31 C ATOM 0 HA PRO A 3 2.733 -2.457 -8.793 1.00 33.21 H new ATOM 0 HB2 PRO A 3 0.100 -3.906 -9.296 1.00 75.21 H new ATOM 0 HB3 PRO A 3 1.724 -4.530 -9.507 1.00 75.21 H new ATOM 0 HG2 PRO A 3 0.269 -5.329 -7.427 1.00 24.34 H new ATOM 0 HG3 PRO A 3 1.982 -5.024 -7.220 1.00 24.34 H new ATOM 0 HD2 PRO A 3 -0.356 -3.301 -6.398 1.00 33.31 H new ATOM 0 HD3 PRO A 3 1.151 -3.586 -5.550 1.00 33.31 H new ATOM 44 N GLU A 4 0.115 -0.708 -9.119 1.00 62.12 N ATOM 45 CA GLU A 4 -0.545 0.319 -9.929 1.00 71.31 C ATOM 46 C GLU A 4 0.372 1.531 -10.169 1.00 23.24 C ATOM 47 O GLU A 4 0.438 2.060 -11.280 1.00 34.41 O ATOM 48 CB GLU A 4 -1.829 0.772 -9.218 1.00 13.50 C ATOM 49 CG GLU A 4 -2.793 -0.368 -8.894 1.00 0.23 C ATOM 50 CD GLU A 4 -3.446 -0.970 -10.129 1.00 52.14 C ATOM 51 OE1 GLU A 4 -2.806 -1.795 -10.813 1.00 11.53 O ATOM 52 OE2 GLU A 4 -4.606 -0.611 -10.426 1.00 33.14 O ATOM 0 H GLU A 4 -0.196 -0.731 -8.148 1.00 62.12 H new ATOM 0 HA GLU A 4 -0.783 -0.113 -10.901 1.00 71.31 H new ATOM 0 HB2 GLU A 4 -1.560 1.281 -8.293 1.00 13.50 H new ATOM 0 HB3 GLU A 4 -2.342 1.501 -9.845 1.00 13.50 H new ATOM 0 HG2 GLU A 4 -2.254 -1.150 -8.358 1.00 0.23 H new ATOM 0 HG3 GLU A 4 -3.569 0.001 -8.224 1.00 0.23 H new ATOM 59 N ASP A 5 1.079 1.962 -9.123 1.00 24.02 N ATOM 60 CA ASP A 5 1.933 3.155 -9.199 1.00 72.25 C ATOM 61 C ASP A 5 3.054 2.998 -10.244 1.00 43.11 C ATOM 62 O ASP A 5 3.770 1.992 -10.250 1.00 24.10 O ATOM 63 CB ASP A 5 2.561 3.453 -7.835 1.00 32.42 C ATOM 64 CG ASP A 5 1.529 3.636 -6.743 1.00 12.44 C ATOM 65 OD1 ASP A 5 0.959 4.739 -6.629 1.00 21.30 O ATOM 66 OD2 ASP A 5 1.295 2.680 -5.978 1.00 30.12 O ATOM 0 H ASP A 5 1.079 1.504 -8.211 1.00 24.02 H new ATOM 0 HA ASP A 5 1.292 3.983 -9.503 1.00 72.25 H new ATOM 0 HB2 ASP A 5 3.231 2.638 -7.563 1.00 32.42 H new ATOM 0 HB3 ASP A 5 3.169 4.355 -7.909 1.00 32.42 H new ATOM 71 N PRO A 6 3.239 4.004 -11.127 1.00 24.01 N ATOM 72 CA PRO A 6 4.312 3.990 -12.136 1.00 60.30 C ATOM 73 C PRO A 6 5.705 3.824 -11.510 1.00 71.51 C ATOM 74 O PRO A 6 6.601 3.241 -12.117 1.00 51.21 O ATOM 75 CB PRO A 6 4.180 5.355 -12.838 1.00 33.45 C ATOM 76 CG PRO A 6 3.338 6.186 -11.926 1.00 41.52 C ATOM 77 CD PRO A 6 2.418 5.224 -11.227 1.00 41.22 C ATOM 0 HA PRO A 6 4.213 3.146 -12.819 1.00 60.30 H new ATOM 0 HB2 PRO A 6 5.157 5.812 -12.997 1.00 33.45 H new ATOM 0 HB3 PRO A 6 3.714 5.250 -13.818 1.00 33.45 H new ATOM 0 HG2 PRO A 6 3.955 6.727 -11.209 1.00 41.52 H new ATOM 0 HG3 PRO A 6 2.773 6.931 -12.486 1.00 41.52 H new ATOM 0 HD2 PRO A 6 2.118 5.591 -10.246 1.00 41.22 H new ATOM 0 HD3 PRO A 6 1.504 5.052 -11.796 1.00 41.22 H new ATOM 85 N PHE A 7 5.870 4.324 -10.287 1.00 15.34 N ATOM 86 CA PHE A 7 7.140 4.203 -9.562 1.00 53.32 C ATOM 87 C PHE A 7 7.419 2.746 -9.150 1.00 65.50 C ATOM 88 O PHE A 7 8.539 2.257 -9.301 1.00 64.33 O ATOM 89 CB PHE A 7 7.136 5.112 -8.323 1.00 43.13 C ATOM 90 CG PHE A 7 8.431 5.081 -7.543 1.00 45.34 C ATOM 91 CD1 PHE A 7 9.570 5.700 -8.041 1.00 4.13 C ATOM 92 CD2 PHE A 7 8.510 4.434 -6.316 1.00 2.15 C ATOM 93 CE1 PHE A 7 10.757 5.674 -7.333 1.00 3.04 C ATOM 94 CE2 PHE A 7 9.696 4.406 -5.605 1.00 53.21 C ATOM 95 CZ PHE A 7 10.820 5.027 -6.115 1.00 12.41 C ATOM 0 H PHE A 7 5.140 4.818 -9.774 1.00 15.34 H new ATOM 0 HA PHE A 7 7.937 4.519 -10.235 1.00 53.32 H new ATOM 0 HB2 PHE A 7 6.935 6.137 -8.636 1.00 43.13 H new ATOM 0 HB3 PHE A 7 6.319 4.813 -7.666 1.00 43.13 H new ATOM 0 HD1 PHE A 7 9.528 6.208 -8.993 1.00 4.13 H new ATOM 0 HD2 PHE A 7 7.635 3.947 -5.912 1.00 2.15 H new ATOM 0 HE1 PHE A 7 11.635 6.160 -7.733 1.00 3.04 H new ATOM 0 HE2 PHE A 7 9.743 3.899 -4.652 1.00 53.21 H new ATOM 0 HZ PHE A 7 11.747 5.006 -5.561 1.00 12.41 H new ATOM 105 N THR A 8 6.401 2.055 -8.632 1.00 54.35 N ATOM 106 CA THR A 8 6.556 0.656 -8.191 1.00 54.43 C ATOM 107 C THR A 8 7.003 -0.248 -9.350 1.00 52.03 C ATOM 108 O THR A 8 8.037 -0.914 -9.278 1.00 44.01 O ATOM 109 CB THR A 8 5.232 0.092 -7.616 1.00 10.42 C ATOM 110 OG1 THR A 8 4.682 0.995 -6.646 1.00 33.10 O ATOM 111 CG2 THR A 8 5.448 -1.276 -6.970 1.00 3.31 C ATOM 0 H THR A 8 5.463 2.434 -8.506 1.00 54.35 H new ATOM 0 HA THR A 8 7.319 0.660 -7.412 1.00 54.43 H new ATOM 0 HB THR A 8 4.534 -0.020 -8.446 1.00 10.42 H new ATOM 0 HG1 THR A 8 3.723 0.821 -6.544 1.00 33.10 H new ATOM 0 HG21 THR A 8 4.501 -1.646 -6.576 1.00 3.31 H new ATOM 0 HG22 THR A 8 5.828 -1.974 -7.715 1.00 3.31 H new ATOM 0 HG23 THR A 8 6.169 -1.185 -6.157 1.00 3.31 H new ATOM 119 N ARG A 9 6.218 -0.247 -10.423 1.00 10.42 N ATOM 120 CA ARG A 9 6.537 -1.019 -11.636 1.00 44.44 C ATOM 121 C ARG A 9 7.899 -0.608 -12.231 1.00 65.14 C ATOM 122 O ARG A 9 8.615 -1.433 -12.806 1.00 50.32 O ATOM 123 CB ARG A 9 5.397 -0.866 -12.666 1.00 4.43 C ATOM 124 CG ARG A 9 4.873 0.564 -12.804 1.00 43.03 C ATOM 125 CD ARG A 9 3.511 0.630 -13.497 1.00 73.51 C ATOM 126 NE ARG A 9 3.620 0.609 -14.952 1.00 10.02 N ATOM 127 CZ ARG A 9 3.324 -0.413 -15.703 1.00 45.23 C ATOM 128 NH1 ARG A 9 2.925 -1.526 -15.186 1.00 11.22 N ATOM 129 NH2 ARG A 9 3.420 -0.318 -16.984 1.00 41.12 N ATOM 0 H ARG A 9 5.348 0.282 -10.484 1.00 10.42 H new ATOM 0 HA ARG A 9 6.622 -2.071 -11.365 1.00 44.44 H new ATOM 0 HB2 ARG A 9 5.751 -1.208 -13.638 1.00 4.43 H new ATOM 0 HB3 ARG A 9 4.572 -1.519 -12.380 1.00 4.43 H new ATOM 0 HG2 ARG A 9 4.795 1.015 -11.815 1.00 43.03 H new ATOM 0 HG3 ARG A 9 5.592 1.157 -13.369 1.00 43.03 H new ATOM 0 HD2 ARG A 9 2.900 -0.211 -13.170 1.00 73.51 H new ATOM 0 HD3 ARG A 9 2.994 1.539 -13.188 1.00 73.51 H new ATOM 0 HE ARG A 9 3.952 1.456 -15.414 1.00 10.02 H new ATOM 0 HH11 ARG A 9 2.837 -1.616 -14.174 1.00 11.22 H new ATOM 0 HH12 ARG A 9 2.697 -2.316 -15.790 1.00 11.22 H new ATOM 0 HH21 ARG A 9 3.728 0.557 -17.409 1.00 41.12 H new ATOM 0 HH22 ARG A 9 3.189 -1.118 -17.573 1.00 41.12 H new ATOM 143 N TYR A 10 8.261 0.663 -12.070 1.00 74.31 N ATOM 144 CA TYR A 10 9.578 1.157 -12.487 1.00 72.52 C ATOM 145 C TYR A 10 10.702 0.553 -11.624 1.00 13.25 C ATOM 146 O TYR A 10 11.740 0.129 -12.137 1.00 52.01 O ATOM 147 CB TYR A 10 9.601 2.687 -12.389 1.00 45.25 C ATOM 148 CG TYR A 10 10.926 3.324 -12.767 1.00 11.33 C ATOM 149 CD1 TYR A 10 11.333 3.392 -14.095 1.00 4.13 C ATOM 150 CD2 TYR A 10 11.764 3.868 -11.798 1.00 44.22 C ATOM 151 CE1 TYR A 10 12.531 3.982 -14.444 1.00 15.53 C ATOM 152 CE2 TYR A 10 12.963 4.459 -12.142 1.00 32.43 C ATOM 153 CZ TYR A 10 13.341 4.512 -13.466 1.00 0.31 C ATOM 154 OH TYR A 10 14.537 5.097 -13.813 1.00 73.34 O ATOM 0 H TYR A 10 7.661 1.374 -11.653 1.00 74.31 H new ATOM 0 HA TYR A 10 9.752 0.851 -13.519 1.00 72.52 H new ATOM 0 HB2 TYR A 10 8.821 3.091 -13.034 1.00 45.25 H new ATOM 0 HB3 TYR A 10 9.352 2.976 -11.368 1.00 45.25 H new ATOM 0 HD1 TYR A 10 10.701 2.976 -14.866 1.00 4.13 H new ATOM 0 HD2 TYR A 10 11.471 3.827 -10.759 1.00 44.22 H new ATOM 0 HE1 TYR A 10 12.831 4.027 -15.480 1.00 15.53 H new ATOM 0 HE2 TYR A 10 13.601 4.877 -11.378 1.00 32.43 H new ATOM 0 HH TYR A 10 14.420 5.619 -14.634 1.00 73.34 H new ATOM 164 N ALA A 11 10.482 0.516 -10.310 1.00 13.13 N ATOM 165 CA ALA A 11 11.468 -0.024 -9.368 1.00 62.51 C ATOM 166 C ALA A 11 11.743 -1.511 -9.629 1.00 4.11 C ATOM 167 O ALA A 11 12.900 -1.927 -9.742 1.00 22.20 O ATOM 168 CB ALA A 11 10.994 0.189 -7.933 1.00 71.23 C ATOM 0 H ALA A 11 9.626 0.855 -9.870 1.00 13.13 H new ATOM 0 HA ALA A 11 12.404 0.514 -9.517 1.00 62.51 H new ATOM 0 HB1 ALA A 11 11.733 -0.216 -7.242 1.00 71.23 H new ATOM 0 HB2 ALA A 11 10.868 1.255 -7.746 1.00 71.23 H new ATOM 0 HB3 ALA A 11 10.042 -0.321 -7.785 1.00 71.23 H new ATOM 174 N LEU A 12 10.675 -2.305 -9.743 1.00 30.14 N ATOM 175 CA LEU A 12 10.800 -3.743 -10.020 1.00 21.13 C ATOM 176 C LEU A 12 11.582 -4.004 -11.318 1.00 71.24 C ATOM 177 O LEU A 12 12.327 -4.983 -11.421 1.00 21.10 O ATOM 178 CB LEU A 12 9.412 -4.406 -10.092 1.00 73.32 C ATOM 179 CG LEU A 12 8.782 -4.789 -8.736 1.00 30.51 C ATOM 180 CD1 LEU A 12 9.650 -5.816 -8.013 1.00 13.13 C ATOM 181 CD2 LEU A 12 8.561 -3.559 -7.858 1.00 73.34 C ATOM 0 H LEU A 12 9.713 -1.979 -9.648 1.00 30.14 H new ATOM 0 HA LEU A 12 11.360 -4.186 -9.197 1.00 21.13 H new ATOM 0 HB2 LEU A 12 8.732 -3.729 -10.609 1.00 73.32 H new ATOM 0 HB3 LEU A 12 9.491 -5.306 -10.702 1.00 73.32 H new ATOM 0 HG LEU A 12 7.808 -5.235 -8.935 1.00 30.51 H new ATOM 0 HD11 LEU A 12 9.190 -6.074 -7.059 1.00 13.13 H new ATOM 0 HD12 LEU A 12 9.740 -6.712 -8.627 1.00 13.13 H new ATOM 0 HD13 LEU A 12 10.640 -5.396 -7.837 1.00 13.13 H new ATOM 0 HD21 LEU A 12 8.116 -3.863 -6.911 1.00 73.34 H new ATOM 0 HD22 LEU A 12 9.517 -3.070 -7.670 1.00 73.34 H new ATOM 0 HD23 LEU A 12 7.892 -2.865 -8.366 1.00 73.34 H new ATOM 193 N ALA A 13 11.409 -3.129 -12.307 1.00 42.32 N ATOM 194 CA ALA A 13 12.176 -3.217 -13.554 1.00 24.30 C ATOM 195 C ALA A 13 13.687 -3.164 -13.279 1.00 35.21 C ATOM 196 O ALA A 13 14.452 -3.995 -13.776 1.00 31.43 O ATOM 197 CB ALA A 13 11.767 -2.099 -14.507 1.00 73.32 C ATOM 0 H ALA A 13 10.748 -2.353 -12.272 1.00 42.32 H new ATOM 0 HA ALA A 13 11.953 -4.176 -14.022 1.00 24.30 H new ATOM 0 HB1 ALA A 13 12.344 -2.177 -15.428 1.00 73.32 H new ATOM 0 HB2 ALA A 13 10.705 -2.186 -14.736 1.00 73.32 H new ATOM 0 HB3 ALA A 13 11.959 -1.134 -14.039 1.00 73.32 H new ATOM 203 N GLN A 14 14.104 -2.196 -12.465 1.00 11.55 N ATOM 204 CA GLN A 14 15.517 -2.041 -12.102 1.00 41.00 C ATOM 205 C GLN A 14 16.002 -3.203 -11.219 1.00 71.54 C ATOM 206 O GLN A 14 17.154 -3.636 -11.322 1.00 55.52 O ATOM 207 CB GLN A 14 15.741 -0.705 -11.384 1.00 10.20 C ATOM 208 CG GLN A 14 15.227 0.504 -12.161 1.00 1.44 C ATOM 209 CD GLN A 14 15.587 1.828 -11.505 1.00 43.04 C ATOM 210 OE1 GLN A 14 15.760 1.912 -10.296 1.00 72.41 O ATOM 211 NE2 GLN A 14 15.699 2.874 -12.299 1.00 4.54 N ATOM 0 H GLN A 14 13.485 -1.505 -12.042 1.00 11.55 H new ATOM 0 HA GLN A 14 16.099 -2.053 -13.024 1.00 41.00 H new ATOM 0 HB2 GLN A 14 15.248 -0.738 -10.413 1.00 10.20 H new ATOM 0 HB3 GLN A 14 16.807 -0.578 -11.196 1.00 10.20 H new ATOM 0 HG2 GLN A 14 15.637 0.481 -13.171 1.00 1.44 H new ATOM 0 HG3 GLN A 14 14.143 0.434 -12.256 1.00 1.44 H new ATOM 0 HE21 GLN A 14 15.549 2.771 -13.303 1.00 4.54 H new ATOM 0 HE22 GLN A 14 15.936 3.787 -11.910 1.00 4.54 H new ATOM 220 N GLU A 15 15.119 -3.709 -10.356 1.00 42.52 N ATOM 221 CA GLU A 15 15.438 -4.869 -9.514 1.00 3.42 C ATOM 222 C GLU A 15 15.801 -6.086 -10.383 1.00 3.11 C ATOM 223 O GLU A 15 16.738 -6.828 -10.078 1.00 52.42 O ATOM 224 CB GLU A 15 14.256 -5.211 -8.590 1.00 23.32 C ATOM 225 CG GLU A 15 13.855 -4.085 -7.635 1.00 53.04 C ATOM 226 CD GLU A 15 14.975 -3.672 -6.688 1.00 22.10 C ATOM 227 OE1 GLU A 15 15.095 -4.272 -5.599 1.00 33.22 O ATOM 228 OE2 GLU A 15 15.739 -2.745 -7.028 1.00 32.43 O ATOM 0 H GLU A 15 14.179 -3.337 -10.220 1.00 42.52 H new ATOM 0 HA GLU A 15 16.299 -4.613 -8.896 1.00 3.42 H new ATOM 0 HB2 GLU A 15 13.395 -5.474 -9.204 1.00 23.32 H new ATOM 0 HB3 GLU A 15 14.512 -6.094 -8.004 1.00 23.32 H new ATOM 0 HG2 GLU A 15 13.542 -3.218 -8.217 1.00 53.04 H new ATOM 0 HG3 GLU A 15 12.993 -4.404 -7.050 1.00 53.04 H new ATOM 235 N HIS A 16 15.060 -6.276 -11.477 1.00 43.41 N ATOM 236 CA HIS A 16 15.369 -7.339 -12.440 1.00 64.53 C ATOM 237 C HIS A 16 16.760 -7.140 -13.063 1.00 0.21 C ATOM 238 O HIS A 16 17.507 -8.100 -13.246 1.00 25.04 O ATOM 239 CB HIS A 16 14.299 -7.413 -13.540 1.00 72.54 C ATOM 240 CG HIS A 16 12.987 -7.972 -13.071 1.00 2.43 C ATOM 241 ND1 HIS A 16 12.872 -9.200 -12.455 1.00 33.41 N ATOM 242 CD2 HIS A 16 11.728 -7.475 -13.139 1.00 71.01 C ATOM 243 CE1 HIS A 16 11.608 -9.433 -12.169 1.00 61.23 C ATOM 244 NE2 HIS A 16 10.894 -8.405 -12.572 1.00 14.14 N ATOM 0 H HIS A 16 14.246 -5.712 -11.719 1.00 43.41 H new ATOM 0 HA HIS A 16 15.371 -8.283 -11.895 1.00 64.53 H new ATOM 0 HB2 HIS A 16 14.135 -6.413 -13.942 1.00 72.54 H new ATOM 0 HB3 HIS A 16 14.674 -8.028 -14.358 1.00 72.54 H new ATOM 0 HD2 HIS A 16 11.436 -6.525 -13.561 1.00 71.01 H new ATOM 0 HE1 HIS A 16 11.223 -10.319 -11.685 1.00 61.23 H new ATOM 0 HE2 HIS A 16 9.882 -8.314 -12.478 1.00 14.14 H new ATOM 253 N LEU A 17 17.106 -5.890 -13.374 1.00 50.21 N ATOM 254 CA LEU A 17 18.443 -5.564 -13.900 1.00 11.24 C ATOM 255 C LEU A 17 19.547 -6.021 -12.935 1.00 54.14 C ATOM 256 O LEU A 17 20.586 -6.532 -13.356 1.00 42.21 O ATOM 257 CB LEU A 17 18.572 -4.054 -14.158 1.00 54.03 C ATOM 258 CG LEU A 17 17.678 -3.498 -15.276 1.00 3.13 C ATOM 259 CD1 LEU A 17 17.841 -1.984 -15.396 1.00 3.41 C ATOM 260 CD2 LEU A 17 17.993 -4.185 -16.604 1.00 75.45 C ATOM 0 H LEU A 17 16.486 -5.086 -13.273 1.00 50.21 H new ATOM 0 HA LEU A 17 18.564 -6.098 -14.842 1.00 11.24 H new ATOM 0 HB2 LEU A 17 18.341 -3.524 -13.234 1.00 54.03 H new ATOM 0 HB3 LEU A 17 19.611 -3.832 -14.402 1.00 54.03 H new ATOM 0 HG LEU A 17 16.639 -3.706 -15.021 1.00 3.13 H new ATOM 0 HD11 LEU A 17 17.199 -1.611 -16.194 1.00 3.41 H new ATOM 0 HD12 LEU A 17 17.561 -1.512 -14.454 1.00 3.41 H new ATOM 0 HD13 LEU A 17 18.880 -1.747 -15.626 1.00 3.41 H new ATOM 0 HD21 LEU A 17 17.350 -3.779 -17.385 1.00 75.45 H new ATOM 0 HD22 LEU A 17 19.037 -4.010 -16.865 1.00 75.45 H new ATOM 0 HD23 LEU A 17 17.817 -5.257 -16.510 1.00 75.45 H new ATOM 272 N LYS A 18 19.306 -5.848 -11.638 1.00 72.12 N ATOM 273 CA LYS A 18 20.253 -6.280 -10.602 1.00 53.01 C ATOM 274 C LYS A 18 20.463 -7.803 -10.628 1.00 71.23 C ATOM 275 O LYS A 18 21.546 -8.296 -10.308 1.00 31.21 O ATOM 276 CB LYS A 18 19.756 -5.832 -9.222 1.00 15.25 C ATOM 277 CG LYS A 18 19.644 -4.315 -9.085 1.00 31.43 C ATOM 278 CD LYS A 18 19.046 -3.900 -7.743 1.00 25.30 C ATOM 279 CE LYS A 18 18.933 -2.382 -7.624 1.00 61.13 C ATOM 280 NZ LYS A 18 18.273 -1.974 -6.357 1.00 10.12 N ATOM 0 H LYS A 18 18.460 -5.410 -11.274 1.00 72.12 H new ATOM 0 HA LYS A 18 21.216 -5.812 -10.807 1.00 53.01 H new ATOM 0 HB2 LYS A 18 18.781 -6.280 -9.031 1.00 15.25 H new ATOM 0 HB3 LYS A 18 20.436 -6.210 -8.458 1.00 15.25 H new ATOM 0 HG2 LYS A 18 20.632 -3.868 -9.194 1.00 31.43 H new ATOM 0 HG3 LYS A 18 19.026 -3.924 -9.893 1.00 31.43 H new ATOM 0 HD2 LYS A 18 18.059 -4.349 -7.629 1.00 25.30 H new ATOM 0 HD3 LYS A 18 19.666 -4.284 -6.933 1.00 25.30 H new ATOM 0 HE2 LYS A 18 19.928 -1.939 -7.675 1.00 61.13 H new ATOM 0 HE3 LYS A 18 18.367 -1.992 -8.470 1.00 61.13 H new ATOM 0 HZ1 LYS A 18 18.562 -1.006 -6.111 1.00 10.12 H new ATOM 0 HZ2 LYS A 18 17.240 -2.007 -6.477 1.00 10.12 H new ATOM 0 HZ3 LYS A 18 18.554 -2.623 -5.595 1.00 10.12 H new ATOM 294 N HIS A 19 19.422 -8.542 -11.014 1.00 24.03 N ATOM 295 CA HIS A 19 19.517 -10.002 -11.181 1.00 75.34 C ATOM 296 C HIS A 19 19.862 -10.380 -12.635 1.00 33.35 C ATOM 297 O HIS A 19 19.865 -11.558 -12.996 1.00 1.53 O ATOM 298 CB HIS A 19 18.202 -10.677 -10.763 1.00 61.54 C ATOM 299 CG HIS A 19 17.903 -10.581 -9.296 1.00 4.25 C ATOM 300 ND1 HIS A 19 18.083 -11.631 -8.422 1.00 40.13 N ATOM 301 CD2 HIS A 19 17.414 -9.561 -8.553 1.00 21.32 C ATOM 302 CE1 HIS A 19 17.719 -11.265 -7.212 1.00 34.44 C ATOM 303 NE2 HIS A 19 17.311 -10.016 -7.262 1.00 44.13 N ATOM 0 H HIS A 19 18.500 -8.157 -11.218 1.00 24.03 H new ATOM 0 HA HIS A 19 20.322 -10.356 -10.537 1.00 75.34 H new ATOM 0 HB2 HIS A 19 17.381 -10.225 -11.320 1.00 61.54 H new ATOM 0 HB3 HIS A 19 18.240 -11.729 -11.047 1.00 61.54 H new ATOM 0 HD2 HIS A 19 17.154 -8.575 -8.909 1.00 21.32 H new ATOM 0 HE1 HIS A 19 17.750 -11.885 -6.328 1.00 34.44 H new ATOM 0 HE2 HIS A 19 16.972 -9.472 -6.468 1.00 44.13 H new ATOM 312 N ASP A 20 20.147 -9.364 -13.456 1.00 73.42 N ATOM 313 CA ASP A 20 20.531 -9.546 -14.867 1.00 4.05 C ATOM 314 C ASP A 20 19.343 -10.004 -15.742 1.00 1.23 C ATOM 315 O ASP A 20 19.524 -10.406 -16.890 1.00 30.24 O ATOM 316 CB ASP A 20 21.724 -10.513 -14.983 1.00 54.21 C ATOM 317 CG ASP A 20 22.268 -10.627 -16.401 1.00 14.31 C ATOM 318 OD1 ASP A 20 22.539 -9.582 -17.028 1.00 33.01 O ATOM 319 OD2 ASP A 20 22.443 -11.763 -16.890 1.00 75.21 O ATOM 0 H ASP A 20 20.119 -8.387 -13.163 1.00 73.42 H new ATOM 0 HA ASP A 20 20.840 -8.574 -15.250 1.00 4.05 H new ATOM 0 HB2 ASP A 20 22.522 -10.177 -14.321 1.00 54.21 H new ATOM 0 HB3 ASP A 20 21.418 -11.500 -14.638 1.00 54.21 H new ATOM 324 N ASN A 21 18.122 -9.907 -15.216 1.00 11.43 N ATOM 325 CA ASN A 21 16.921 -10.200 -16.010 1.00 12.13 C ATOM 326 C ASN A 21 16.612 -9.042 -16.976 1.00 21.11 C ATOM 327 O ASN A 21 15.534 -8.442 -16.927 1.00 73.30 O ATOM 328 CB ASN A 21 15.714 -10.463 -15.100 1.00 33.01 C ATOM 329 CG ASN A 21 15.896 -11.691 -14.232 1.00 74.32 C ATOM 330 OD1 ASN A 21 16.369 -11.609 -13.106 1.00 64.25 O ATOM 331 ND2 ASN A 21 15.525 -12.842 -14.751 1.00 62.44 N ATOM 0 H ASN A 21 17.935 -9.631 -14.252 1.00 11.43 H new ATOM 0 HA ASN A 21 17.117 -11.100 -16.593 1.00 12.13 H new ATOM 0 HB2 ASN A 21 15.547 -9.594 -14.463 1.00 33.01 H new ATOM 0 HB3 ASN A 21 14.821 -10.585 -15.713 1.00 33.01 H new ATOM 0 HD21 ASN A 21 15.628 -13.702 -14.212 1.00 62.44 H new ATOM 0 HD22 ASN A 21 15.134 -12.875 -15.693 1.00 62.44 H new ATOM 338 N ALA A 22 17.566 -8.745 -17.860 1.00 61.22 N ATOM 339 CA ALA A 22 17.453 -7.622 -18.796 1.00 31.52 C ATOM 340 C ALA A 22 16.195 -7.724 -19.669 1.00 72.42 C ATOM 341 O ALA A 22 15.551 -6.721 -19.954 1.00 52.34 O ATOM 342 CB ALA A 22 18.701 -7.542 -19.671 1.00 33.23 C ATOM 0 H ALA A 22 18.435 -9.272 -17.948 1.00 61.22 H new ATOM 0 HA ALA A 22 17.365 -6.709 -18.206 1.00 31.52 H new ATOM 0 HB1 ALA A 22 18.607 -6.705 -20.363 1.00 33.23 H new ATOM 0 HB2 ALA A 22 19.578 -7.396 -19.041 1.00 33.23 H new ATOM 0 HB3 ALA A 22 18.810 -8.468 -20.235 1.00 33.23 H new ATOM 348 N SER A 23 15.851 -8.943 -20.079 1.00 65.21 N ATOM 349 CA SER A 23 14.657 -9.181 -20.905 1.00 13.11 C ATOM 350 C SER A 23 13.368 -8.760 -20.179 1.00 33.24 C ATOM 351 O SER A 23 12.603 -7.932 -20.679 1.00 53.21 O ATOM 352 CB SER A 23 14.570 -10.662 -21.301 1.00 43.42 C ATOM 353 OG SER A 23 15.691 -11.057 -22.085 1.00 11.43 O ATOM 0 H SER A 23 16.380 -9.786 -19.855 1.00 65.21 H new ATOM 0 HA SER A 23 14.753 -8.569 -21.802 1.00 13.11 H new ATOM 0 HB2 SER A 23 14.517 -11.278 -20.403 1.00 43.42 H new ATOM 0 HB3 SER A 23 13.652 -10.837 -21.862 1.00 43.42 H new ATOM 0 HG SER A 23 15.608 -12.005 -22.320 1.00 11.43 H new ATOM 359 N ARG A 24 13.138 -9.326 -18.993 1.00 3.12 N ATOM 360 CA ARG A 24 11.941 -9.007 -18.201 1.00 60.30 C ATOM 361 C ARG A 24 11.910 -7.524 -17.796 1.00 71.32 C ATOM 362 O ARG A 24 10.843 -6.909 -17.722 1.00 43.45 O ATOM 363 CB ARG A 24 11.879 -9.890 -16.947 1.00 1.03 C ATOM 364 CG ARG A 24 11.810 -11.387 -17.244 1.00 32.32 C ATOM 365 CD ARG A 24 10.595 -11.745 -18.096 1.00 72.13 C ATOM 366 NE ARG A 24 10.491 -13.184 -18.328 1.00 5.34 N ATOM 367 CZ ARG A 24 9.813 -13.725 -19.304 1.00 33.24 C ATOM 368 NH1 ARG A 24 9.210 -12.989 -20.182 1.00 25.04 N ATOM 369 NH2 ARG A 24 9.749 -15.010 -19.410 1.00 64.05 N ATOM 0 H ARG A 24 13.761 -10.006 -18.558 1.00 3.12 H new ATOM 0 HA ARG A 24 11.071 -9.206 -18.827 1.00 60.30 H new ATOM 0 HB2 ARG A 24 12.757 -9.692 -16.332 1.00 1.03 H new ATOM 0 HB3 ARG A 24 11.007 -9.606 -16.358 1.00 1.03 H new ATOM 0 HG2 ARG A 24 12.719 -11.697 -17.760 1.00 32.32 H new ATOM 0 HG3 ARG A 24 11.771 -11.941 -16.306 1.00 32.32 H new ATOM 0 HD2 ARG A 24 9.690 -11.391 -17.602 1.00 72.13 H new ATOM 0 HD3 ARG A 24 10.659 -11.228 -19.053 1.00 72.13 H new ATOM 0 HE ARG A 24 10.980 -13.807 -17.685 1.00 5.34 H new ATOM 0 HH11 ARG A 24 9.261 -11.972 -20.117 1.00 25.04 H new ATOM 0 HH12 ARG A 24 8.684 -13.426 -20.939 1.00 25.04 H new ATOM 0 HH21 ARG A 24 10.228 -15.602 -18.731 1.00 64.05 H new ATOM 0 HH22 ARG A 24 9.219 -15.433 -20.172 1.00 64.05 H new ATOM 383 N ALA A 25 13.086 -6.959 -17.526 1.00 55.15 N ATOM 384 CA ALA A 25 13.208 -5.535 -17.200 1.00 32.22 C ATOM 385 C ALA A 25 12.856 -4.658 -18.408 1.00 13.22 C ATOM 386 O ALA A 25 12.085 -3.704 -18.293 1.00 70.20 O ATOM 387 CB ALA A 25 14.618 -5.228 -16.711 1.00 44.34 C ATOM 0 H ALA A 25 13.971 -7.466 -17.526 1.00 55.15 H new ATOM 0 HA ALA A 25 12.500 -5.306 -16.404 1.00 32.22 H new ATOM 0 HB1 ALA A 25 14.697 -4.168 -16.472 1.00 44.34 H new ATOM 0 HB2 ALA A 25 14.830 -5.818 -15.819 1.00 44.34 H new ATOM 0 HB3 ALA A 25 15.336 -5.479 -17.492 1.00 44.34 H new ATOM 393 N LEU A 26 13.420 -5.002 -19.565 1.00 61.14 N ATOM 394 CA LEU A 26 13.156 -4.282 -20.815 1.00 42.43 C ATOM 395 C LEU A 26 11.654 -4.226 -21.106 1.00 22.21 C ATOM 396 O LEU A 26 11.117 -3.174 -21.449 1.00 72.42 O ATOM 397 CB LEU A 26 13.895 -4.957 -21.981 1.00 40.43 C ATOM 398 CG LEU A 26 13.727 -4.285 -23.355 1.00 74.54 C ATOM 399 CD1 LEU A 26 14.209 -2.837 -23.320 1.00 3.51 C ATOM 400 CD2 LEU A 26 14.475 -5.071 -24.428 1.00 3.30 C ATOM 0 H LEU A 26 14.069 -5.782 -19.665 1.00 61.14 H new ATOM 0 HA LEU A 26 13.522 -3.261 -20.705 1.00 42.43 H new ATOM 0 HB2 LEU A 26 14.958 -4.992 -21.742 1.00 40.43 H new ATOM 0 HB3 LEU A 26 13.551 -5.988 -22.057 1.00 40.43 H new ATOM 0 HG LEU A 26 12.665 -4.281 -23.602 1.00 74.54 H new ATOM 0 HD11 LEU A 26 14.079 -2.386 -24.304 1.00 3.51 H new ATOM 0 HD12 LEU A 26 13.629 -2.278 -22.585 1.00 3.51 H new ATOM 0 HD13 LEU A 26 15.264 -2.811 -23.046 1.00 3.51 H new ATOM 0 HD21 LEU A 26 14.346 -4.582 -25.394 1.00 3.30 H new ATOM 0 HD22 LEU A 26 15.536 -5.108 -24.179 1.00 3.30 H new ATOM 0 HD23 LEU A 26 14.079 -6.085 -24.479 1.00 3.30 H new ATOM 412 N ALA A 27 10.983 -5.365 -20.951 1.00 20.12 N ATOM 413 CA ALA A 27 9.529 -5.441 -21.113 1.00 43.03 C ATOM 414 C ALA A 27 8.808 -4.407 -20.234 1.00 53.22 C ATOM 415 O ALA A 27 7.891 -3.720 -20.687 1.00 20.42 O ATOM 416 CB ALA A 27 9.047 -6.847 -20.780 1.00 2.40 C ATOM 0 H ALA A 27 11.424 -6.253 -20.712 1.00 20.12 H new ATOM 0 HA ALA A 27 9.291 -5.212 -22.152 1.00 43.03 H new ATOM 0 HB1 ALA A 27 7.965 -6.899 -20.902 1.00 2.40 H new ATOM 0 HB2 ALA A 27 9.523 -7.563 -21.450 1.00 2.40 H new ATOM 0 HB3 ALA A 27 9.308 -7.087 -19.749 1.00 2.40 H new ATOM 422 N LEU A 28 9.240 -4.291 -18.979 1.00 43.10 N ATOM 423 CA LEU A 28 8.647 -3.328 -18.045 1.00 54.11 C ATOM 424 C LEU A 28 8.927 -1.877 -18.470 1.00 54.11 C ATOM 425 O LEU A 28 8.010 -1.062 -18.528 1.00 40.54 O ATOM 426 CB LEU A 28 9.158 -3.579 -16.619 1.00 54.32 C ATOM 427 CG LEU A 28 8.679 -4.894 -15.981 1.00 42.54 C ATOM 428 CD1 LEU A 28 9.297 -5.088 -14.599 1.00 53.52 C ATOM 429 CD2 LEU A 28 7.155 -4.922 -15.895 1.00 35.42 C ATOM 0 H LEU A 28 9.997 -4.849 -18.584 1.00 43.10 H new ATOM 0 HA LEU A 28 7.567 -3.473 -18.063 1.00 54.11 H new ATOM 0 HB2 LEU A 28 10.248 -3.575 -16.633 1.00 54.32 H new ATOM 0 HB3 LEU A 28 8.845 -2.749 -15.985 1.00 54.32 H new ATOM 0 HG LEU A 28 9.006 -5.717 -16.616 1.00 42.54 H new ATOM 0 HD11 LEU A 28 8.942 -6.025 -14.170 1.00 53.52 H new ATOM 0 HD12 LEU A 28 10.383 -5.118 -14.687 1.00 53.52 H new ATOM 0 HD13 LEU A 28 9.008 -4.260 -13.952 1.00 53.52 H new ATOM 0 HD21 LEU A 28 6.833 -5.859 -15.441 1.00 35.42 H new ATOM 0 HD22 LEU A 28 6.810 -4.087 -15.286 1.00 35.42 H new ATOM 0 HD23 LEU A 28 6.732 -4.840 -16.896 1.00 35.42 H new ATOM 441 N PHE A 29 10.187 -1.558 -18.777 1.00 65.41 N ATOM 442 CA PHE A 29 10.550 -0.206 -19.230 1.00 22.12 C ATOM 443 C PHE A 29 9.770 0.195 -20.496 1.00 61.24 C ATOM 444 O PHE A 29 9.246 1.309 -20.588 1.00 22.02 O ATOM 445 CB PHE A 29 12.058 -0.101 -19.490 1.00 42.32 C ATOM 446 CG PHE A 29 12.906 -0.093 -18.240 1.00 71.34 C ATOM 447 CD1 PHE A 29 12.905 1.011 -17.396 1.00 34.30 C ATOM 448 CD2 PHE A 29 13.704 -1.180 -17.909 1.00 51.51 C ATOM 449 CE1 PHE A 29 13.682 1.029 -16.254 1.00 64.22 C ATOM 450 CE2 PHE A 29 14.483 -1.165 -16.767 1.00 63.44 C ATOM 451 CZ PHE A 29 14.471 -0.060 -15.938 1.00 42.43 C ATOM 0 H PHE A 29 10.970 -2.209 -18.722 1.00 65.41 H new ATOM 0 HA PHE A 29 10.281 0.484 -18.430 1.00 22.12 H new ATOM 0 HB2 PHE A 29 12.365 -0.937 -20.118 1.00 42.32 H new ATOM 0 HB3 PHE A 29 12.255 0.811 -20.054 1.00 42.32 H new ATOM 0 HD1 PHE A 29 12.289 1.865 -17.636 1.00 34.30 H new ATOM 0 HD2 PHE A 29 13.716 -2.048 -18.552 1.00 51.51 H new ATOM 0 HE1 PHE A 29 13.673 1.895 -15.608 1.00 64.22 H new ATOM 0 HE2 PHE A 29 15.101 -2.017 -16.523 1.00 63.44 H new ATOM 0 HZ PHE A 29 15.077 -0.048 -15.044 1.00 42.43 H new ATOM 461 N GLU A 30 9.691 -0.718 -21.464 1.00 21.23 N ATOM 462 CA GLU A 30 8.909 -0.484 -22.685 1.00 43.55 C ATOM 463 C GLU A 30 7.423 -0.277 -22.350 1.00 2.31 C ATOM 464 O GLU A 30 6.768 0.616 -22.897 1.00 34.20 O ATOM 465 CB GLU A 30 9.065 -1.656 -23.666 1.00 35.04 C ATOM 466 CG GLU A 30 10.481 -1.833 -24.212 1.00 50.04 C ATOM 467 CD GLU A 30 10.567 -2.900 -25.295 1.00 2.34 C ATOM 468 OE1 GLU A 30 9.817 -3.895 -25.222 1.00 53.41 O ATOM 469 OE2 GLU A 30 11.368 -2.736 -26.243 1.00 41.34 O ATOM 0 H GLU A 30 10.156 -1.625 -21.430 1.00 21.23 H new ATOM 0 HA GLU A 30 9.291 0.421 -23.157 1.00 43.55 H new ATOM 0 HB2 GLU A 30 8.763 -2.576 -23.166 1.00 35.04 H new ATOM 0 HB3 GLU A 30 8.381 -1.509 -24.502 1.00 35.04 H new ATOM 0 HG2 GLU A 30 10.831 -0.883 -24.616 1.00 50.04 H new ATOM 0 HG3 GLU A 30 11.151 -2.098 -23.394 1.00 50.04 H new ATOM 476 N GLU A 31 6.903 -1.107 -21.443 1.00 71.25 N ATOM 477 CA GLU A 31 5.518 -0.988 -20.976 1.00 13.54 C ATOM 478 C GLU A 31 5.286 0.361 -20.272 1.00 51.02 C ATOM 479 O GLU A 31 4.215 0.957 -20.383 1.00 61.54 O ATOM 480 CB GLU A 31 5.176 -2.145 -20.023 1.00 20.44 C ATOM 481 CG GLU A 31 3.703 -2.214 -19.637 1.00 13.30 C ATOM 482 CD GLU A 31 3.401 -3.339 -18.657 1.00 40.01 C ATOM 483 OE1 GLU A 31 3.424 -4.516 -19.070 1.00 33.32 O ATOM 484 OE2 GLU A 31 3.121 -3.045 -17.474 1.00 21.23 O ATOM 0 H GLU A 31 7.423 -1.873 -21.015 1.00 71.25 H new ATOM 0 HA GLU A 31 4.863 -1.037 -21.846 1.00 13.54 H new ATOM 0 HB2 GLU A 31 5.463 -3.086 -20.493 1.00 20.44 H new ATOM 0 HB3 GLU A 31 5.774 -2.045 -19.117 1.00 20.44 H new ATOM 0 HG2 GLU A 31 3.403 -1.264 -19.195 1.00 13.30 H new ATOM 0 HG3 GLU A 31 3.103 -2.351 -20.536 1.00 13.30 H new ATOM 491 N LEU A 32 6.298 0.841 -19.549 1.00 70.20 N ATOM 492 CA LEU A 32 6.226 2.149 -18.883 1.00 64.33 C ATOM 493 C LEU A 32 6.033 3.284 -19.899 1.00 44.21 C ATOM 494 O LEU A 32 5.087 4.057 -19.796 1.00 40.04 O ATOM 495 CB LEU A 32 7.493 2.399 -18.054 1.00 75.50 C ATOM 496 CG LEU A 32 7.671 1.485 -16.830 1.00 44.51 C ATOM 497 CD1 LEU A 32 9.047 1.685 -16.202 1.00 4.12 C ATOM 498 CD2 LEU A 32 6.570 1.737 -15.803 1.00 14.14 C ATOM 0 H LEU A 32 7.179 0.346 -19.407 1.00 70.20 H new ATOM 0 HA LEU A 32 5.361 2.135 -18.219 1.00 64.33 H new ATOM 0 HB2 LEU A 32 8.361 2.282 -18.703 1.00 75.50 H new ATOM 0 HB3 LEU A 32 7.486 3.435 -17.715 1.00 75.50 H new ATOM 0 HG LEU A 32 7.596 0.451 -17.165 1.00 44.51 H new ATOM 0 HD11 LEU A 32 9.151 1.029 -15.338 1.00 4.12 H new ATOM 0 HD12 LEU A 32 9.819 1.447 -16.934 1.00 4.12 H new ATOM 0 HD13 LEU A 32 9.155 2.722 -15.885 1.00 4.12 H new ATOM 0 HD21 LEU A 32 6.715 1.080 -14.945 1.00 14.14 H new ATOM 0 HD22 LEU A 32 6.609 2.776 -15.475 1.00 14.14 H new ATOM 0 HD23 LEU A 32 5.598 1.535 -16.254 1.00 14.14 H new ATOM 510 N VAL A 33 6.925 3.359 -20.890 1.00 74.14 N ATOM 511 CA VAL A 33 6.883 4.424 -21.907 1.00 21.43 C ATOM 512 C VAL A 33 5.520 4.500 -22.620 1.00 2.43 C ATOM 513 O VAL A 33 4.926 5.574 -22.730 1.00 13.12 O ATOM 514 CB VAL A 33 7.994 4.231 -22.972 1.00 4.52 C ATOM 515 CG1 VAL A 33 7.934 5.329 -24.035 1.00 33.21 C ATOM 516 CG2 VAL A 33 9.369 4.196 -22.317 1.00 71.12 C ATOM 0 H VAL A 33 7.689 2.695 -21.014 1.00 74.14 H new ATOM 0 HA VAL A 33 7.047 5.358 -21.370 1.00 21.43 H new ATOM 0 HB VAL A 33 7.822 3.274 -23.464 1.00 4.52 H new ATOM 0 HG11 VAL A 33 8.724 5.169 -24.769 1.00 33.21 H new ATOM 0 HG12 VAL A 33 6.965 5.301 -24.533 1.00 33.21 H new ATOM 0 HG13 VAL A 33 8.070 6.301 -23.562 1.00 33.21 H new ATOM 0 HG21 VAL A 33 10.133 4.060 -23.082 1.00 71.12 H new ATOM 0 HG22 VAL A 33 9.545 5.134 -21.791 1.00 71.12 H new ATOM 0 HG23 VAL A 33 9.414 3.369 -21.609 1.00 71.12 H new ATOM 526 N GLU A 34 5.029 3.358 -23.099 1.00 15.41 N ATOM 527 CA GLU A 34 3.767 3.316 -23.858 1.00 63.14 C ATOM 528 C GLU A 34 2.552 3.711 -22.995 1.00 74.10 C ATOM 529 O GLU A 34 1.604 4.324 -23.490 1.00 54.01 O ATOM 530 CB GLU A 34 3.554 1.920 -24.463 1.00 22.12 C ATOM 531 CG GLU A 34 3.452 0.809 -23.425 1.00 75.11 C ATOM 532 CD GLU A 34 3.340 -0.574 -24.044 1.00 70.42 C ATOM 533 OE1 GLU A 34 4.377 -1.136 -24.444 1.00 20.15 O ATOM 534 OE2 GLU A 34 2.216 -1.110 -24.129 1.00 64.33 O ATOM 0 H GLU A 34 5.479 2.450 -22.979 1.00 15.41 H new ATOM 0 HA GLU A 34 3.849 4.050 -24.659 1.00 63.14 H new ATOM 0 HB2 GLU A 34 2.644 1.929 -25.063 1.00 22.12 H new ATOM 0 HB3 GLU A 34 4.379 1.698 -25.140 1.00 22.12 H new ATOM 0 HG2 GLU A 34 4.329 0.842 -22.779 1.00 75.11 H new ATOM 0 HG3 GLU A 34 2.583 0.989 -22.792 1.00 75.11 H new ATOM 541 N THR A 35 2.588 3.360 -21.708 1.00 53.41 N ATOM 542 CA THR A 35 1.481 3.665 -20.783 1.00 40.23 C ATOM 543 C THR A 35 1.590 5.085 -20.206 1.00 22.20 C ATOM 544 O THR A 35 0.575 5.742 -19.946 1.00 2.50 O ATOM 545 CB THR A 35 1.419 2.660 -19.606 1.00 1.11 C ATOM 546 OG1 THR A 35 2.646 2.693 -18.856 1.00 32.55 O ATOM 547 CG2 THR A 35 1.158 1.240 -20.106 1.00 2.11 C ATOM 0 H THR A 35 3.369 2.864 -21.277 1.00 53.41 H new ATOM 0 HA THR A 35 0.570 3.585 -21.375 1.00 40.23 H new ATOM 0 HB THR A 35 0.593 2.955 -18.959 1.00 1.11 H new ATOM 0 HG1 THR A 35 3.308 2.112 -19.286 1.00 32.55 H new ATOM 0 HG21 THR A 35 1.120 0.557 -19.258 1.00 2.11 H new ATOM 0 HG22 THR A 35 0.207 1.211 -20.639 1.00 2.11 H new ATOM 0 HG23 THR A 35 1.960 0.938 -20.779 1.00 2.11 H new ATOM 555 N ASP A 36 2.816 5.556 -20.007 1.00 34.12 N ATOM 556 CA ASP A 36 3.056 6.888 -19.444 1.00 4.41 C ATOM 557 C ASP A 36 4.262 7.565 -20.122 1.00 45.10 C ATOM 558 O ASP A 36 5.410 7.353 -19.724 1.00 3.50 O ATOM 559 CB ASP A 36 3.286 6.789 -17.929 1.00 0.43 C ATOM 560 CG ASP A 36 3.163 8.136 -17.238 1.00 54.43 C ATOM 561 OD1 ASP A 36 4.162 8.879 -17.175 1.00 61.31 O ATOM 562 OD2 ASP A 36 2.051 8.461 -16.765 1.00 44.51 O ATOM 0 H ASP A 36 3.665 5.036 -20.227 1.00 34.12 H new ATOM 0 HA ASP A 36 2.174 7.500 -19.630 1.00 4.41 H new ATOM 0 HB2 ASP A 36 2.564 6.095 -17.499 1.00 0.43 H new ATOM 0 HB3 ASP A 36 4.277 6.376 -17.740 1.00 0.43 H new ATOM 567 N PRO A 37 4.017 8.388 -21.163 1.00 62.22 N ATOM 568 CA PRO A 37 5.087 9.082 -21.901 1.00 14.04 C ATOM 569 C PRO A 37 5.717 10.238 -21.103 1.00 53.52 C ATOM 570 O PRO A 37 6.726 10.813 -21.517 1.00 22.10 O ATOM 571 CB PRO A 37 4.373 9.625 -23.162 1.00 52.34 C ATOM 572 CG PRO A 37 3.007 9.008 -23.155 1.00 73.24 C ATOM 573 CD PRO A 37 2.693 8.705 -21.717 1.00 60.23 C ATOM 0 HA PRO A 37 5.917 8.410 -22.119 1.00 14.04 H new ATOM 0 HB2 PRO A 37 4.311 10.713 -23.138 1.00 52.34 H new ATOM 0 HB3 PRO A 37 4.919 9.357 -24.067 1.00 52.34 H new ATOM 0 HG2 PRO A 37 2.270 9.689 -23.580 1.00 73.24 H new ATOM 0 HG3 PRO A 37 2.986 8.100 -23.758 1.00 73.24 H new ATOM 0 HD2 PRO A 37 2.235 9.557 -21.213 1.00 60.23 H new ATOM 0 HD3 PRO A 37 2.001 7.868 -21.620 1.00 60.23 H new ATOM 581 N ASP A 38 5.120 10.568 -19.959 1.00 21.31 N ATOM 582 CA ASP A 38 5.559 11.707 -19.148 1.00 32.14 C ATOM 583 C ASP A 38 6.699 11.328 -18.181 1.00 73.42 C ATOM 584 O ASP A 38 7.532 12.166 -17.826 1.00 74.50 O ATOM 585 CB ASP A 38 4.371 12.254 -18.353 1.00 53.23 C ATOM 586 CG ASP A 38 3.169 12.545 -19.235 1.00 3.02 C ATOM 587 OD1 ASP A 38 3.135 13.620 -19.865 1.00 11.41 O ATOM 588 OD2 ASP A 38 2.246 11.706 -19.294 1.00 13.14 O ATOM 0 H ASP A 38 4.326 10.060 -19.569 1.00 21.31 H new ATOM 0 HA ASP A 38 5.944 12.468 -19.826 1.00 32.14 H new ATOM 0 HB2 ASP A 38 4.089 11.534 -17.585 1.00 53.23 H new ATOM 0 HB3 ASP A 38 4.671 13.167 -17.839 1.00 53.23 H new ATOM 593 N TYR A 39 6.723 10.068 -17.745 1.00 74.41 N ATOM 594 CA TYR A 39 7.717 9.602 -16.769 1.00 74.11 C ATOM 595 C TYR A 39 9.129 9.550 -17.389 1.00 52.12 C ATOM 596 O TYR A 39 9.568 8.517 -17.902 1.00 74.14 O ATOM 597 CB TYR A 39 7.303 8.226 -16.220 1.00 11.10 C ATOM 598 CG TYR A 39 7.931 7.871 -14.882 1.00 14.42 C ATOM 599 CD1 TYR A 39 7.910 8.773 -13.821 1.00 23.31 C ATOM 600 CD2 TYR A 39 8.525 6.633 -14.671 1.00 0.34 C ATOM 601 CE1 TYR A 39 8.465 8.451 -12.596 1.00 22.42 C ATOM 602 CE2 TYR A 39 9.082 6.305 -13.450 1.00 0.53 C ATOM 603 CZ TYR A 39 9.050 7.215 -12.416 1.00 74.25 C ATOM 604 OH TYR A 39 9.604 6.888 -11.197 1.00 3.00 O ATOM 0 H TYR A 39 6.067 9.349 -18.050 1.00 74.41 H new ATOM 0 HA TYR A 39 7.753 10.313 -15.944 1.00 74.11 H new ATOM 0 HB2 TYR A 39 6.218 8.200 -16.117 1.00 11.10 H new ATOM 0 HB3 TYR A 39 7.572 7.461 -16.949 1.00 11.10 H new ATOM 0 HD1 TYR A 39 7.452 9.741 -13.957 1.00 23.31 H new ATOM 0 HD2 TYR A 39 8.552 5.914 -15.476 1.00 0.34 H new ATOM 0 HE1 TYR A 39 8.441 9.163 -11.785 1.00 22.42 H new ATOM 0 HE2 TYR A 39 9.541 5.338 -13.306 1.00 0.53 H new ATOM 0 HH TYR A 39 9.973 5.981 -11.238 1.00 3.00 H new ATOM 614 N VAL A 40 9.824 10.691 -17.342 1.00 63.31 N ATOM 615 CA VAL A 40 11.149 10.850 -17.965 1.00 24.22 C ATOM 616 C VAL A 40 12.177 9.825 -17.450 1.00 1.22 C ATOM 617 O VAL A 40 12.982 9.297 -18.224 1.00 22.41 O ATOM 618 CB VAL A 40 11.704 12.279 -17.732 1.00 50.24 C ATOM 619 CG1 VAL A 40 13.032 12.480 -18.464 1.00 72.15 C ATOM 620 CG2 VAL A 40 10.680 13.330 -18.162 1.00 3.32 C ATOM 0 H VAL A 40 9.487 11.532 -16.872 1.00 63.31 H new ATOM 0 HA VAL A 40 11.001 10.676 -19.031 1.00 24.22 H new ATOM 0 HB VAL A 40 11.891 12.400 -16.665 1.00 50.24 H new ATOM 0 HG11 VAL A 40 13.398 13.491 -18.283 1.00 72.15 H new ATOM 0 HG12 VAL A 40 13.762 11.759 -18.098 1.00 72.15 H new ATOM 0 HG13 VAL A 40 12.883 12.334 -19.534 1.00 72.15 H new ATOM 0 HG21 VAL A 40 11.087 14.326 -17.991 1.00 3.32 H new ATOM 0 HG22 VAL A 40 10.455 13.207 -19.221 1.00 3.32 H new ATOM 0 HG23 VAL A 40 9.766 13.207 -17.581 1.00 3.32 H new ATOM 630 N GLY A 41 12.139 9.545 -16.145 1.00 11.13 N ATOM 631 CA GLY A 41 13.081 8.606 -15.535 1.00 60.51 C ATOM 632 C GLY A 41 13.175 7.269 -16.272 1.00 30.31 C ATOM 633 O GLY A 41 14.237 6.630 -16.293 1.00 3.32 O ATOM 0 H GLY A 41 11.469 9.954 -15.494 1.00 11.13 H new ATOM 0 HA2 GLY A 41 14.069 9.064 -15.503 1.00 60.51 H new ATOM 0 HA3 GLY A 41 12.782 8.423 -14.503 1.00 60.51 H new ATOM 637 N THR A 42 12.063 6.843 -16.876 1.00 33.13 N ATOM 638 CA THR A 42 12.031 5.609 -17.670 1.00 62.01 C ATOM 639 C THR A 42 12.952 5.706 -18.891 1.00 0.43 C ATOM 640 O THR A 42 13.762 4.815 -19.133 1.00 43.12 O ATOM 641 CB THR A 42 10.598 5.276 -18.158 1.00 10.45 C ATOM 642 OG1 THR A 42 9.710 5.158 -17.040 1.00 10.10 O ATOM 643 CG2 THR A 42 10.576 3.977 -18.960 1.00 53.35 C ATOM 0 H THR A 42 11.170 7.335 -16.831 1.00 33.13 H new ATOM 0 HA THR A 42 12.379 4.813 -17.011 1.00 62.01 H new ATOM 0 HB THR A 42 10.269 6.090 -18.804 1.00 10.45 H new ATOM 0 HG1 THR A 42 9.771 5.965 -16.487 1.00 10.10 H new ATOM 0 HG21 THR A 42 9.558 3.770 -19.289 1.00 53.35 H new ATOM 0 HG22 THR A 42 11.225 4.075 -19.830 1.00 53.35 H new ATOM 0 HG23 THR A 42 10.929 3.157 -18.335 1.00 53.35 H new ATOM 651 N TYR A 43 12.840 6.804 -19.637 1.00 53.10 N ATOM 652 CA TYR A 43 13.618 6.996 -20.871 1.00 32.42 C ATOM 653 C TYR A 43 15.129 6.887 -20.625 1.00 71.13 C ATOM 654 O TYR A 43 15.835 6.175 -21.339 1.00 34.10 O ATOM 655 CB TYR A 43 13.307 8.362 -21.495 1.00 61.15 C ATOM 656 CG TYR A 43 11.877 8.512 -21.970 1.00 11.11 C ATOM 657 CD1 TYR A 43 11.515 8.147 -23.260 1.00 61.42 C ATOM 658 CD2 TYR A 43 10.893 9.029 -21.136 1.00 43.30 C ATOM 659 CE1 TYR A 43 10.219 8.294 -23.703 1.00 14.40 C ATOM 660 CE2 TYR A 43 9.592 9.175 -21.573 1.00 63.21 C ATOM 661 CZ TYR A 43 9.261 8.809 -22.858 1.00 24.52 C ATOM 662 OH TYR A 43 7.971 8.961 -23.304 1.00 32.25 O ATOM 0 H TYR A 43 12.217 7.580 -19.412 1.00 53.10 H new ATOM 0 HA TYR A 43 13.326 6.200 -21.555 1.00 32.42 H new ATOM 0 HB2 TYR A 43 13.519 9.141 -20.763 1.00 61.15 H new ATOM 0 HB3 TYR A 43 13.978 8.526 -22.338 1.00 61.15 H new ATOM 0 HD1 TYR A 43 12.262 7.741 -23.927 1.00 61.42 H new ATOM 0 HD2 TYR A 43 11.151 9.322 -20.129 1.00 43.30 H new ATOM 0 HE1 TYR A 43 9.955 8.006 -24.710 1.00 14.40 H new ATOM 0 HE2 TYR A 43 8.838 9.574 -20.911 1.00 63.21 H new ATOM 0 HH TYR A 43 7.533 9.678 -22.800 1.00 32.25 H new ATOM 672 N TYR A 44 15.614 7.597 -19.612 1.00 62.22 N ATOM 673 CA TYR A 44 17.049 7.645 -19.319 1.00 15.51 C ATOM 674 C TYR A 44 17.616 6.256 -18.986 1.00 51.12 C ATOM 675 O TYR A 44 18.641 5.845 -19.531 1.00 52.20 O ATOM 676 CB TYR A 44 17.319 8.617 -18.163 1.00 13.24 C ATOM 677 CG TYR A 44 18.794 8.792 -17.861 1.00 15.11 C ATOM 678 CD1 TYR A 44 19.654 9.324 -18.817 1.00 45.52 C ATOM 679 CD2 TYR A 44 19.328 8.421 -16.631 1.00 21.44 C ATOM 680 CE1 TYR A 44 21.000 9.480 -18.557 1.00 13.04 C ATOM 681 CE2 TYR A 44 20.674 8.578 -16.364 1.00 32.32 C ATOM 682 CZ TYR A 44 21.505 9.105 -17.331 1.00 12.22 C ATOM 683 OH TYR A 44 22.850 9.255 -17.073 1.00 25.03 O ATOM 0 H TYR A 44 15.037 8.149 -18.977 1.00 62.22 H new ATOM 0 HA TYR A 44 17.555 7.998 -20.217 1.00 15.51 H new ATOM 0 HB2 TYR A 44 16.887 9.588 -18.405 1.00 13.24 H new ATOM 0 HB3 TYR A 44 16.812 8.257 -17.268 1.00 13.24 H new ATOM 0 HD1 TYR A 44 19.261 9.620 -19.779 1.00 45.52 H new ATOM 0 HD2 TYR A 44 18.680 8.004 -15.874 1.00 21.44 H new ATOM 0 HE1 TYR A 44 21.654 9.894 -19.310 1.00 13.04 H new ATOM 0 HE2 TYR A 44 21.074 8.290 -15.403 1.00 32.32 H new ATOM 0 HH TYR A 44 23.045 8.945 -16.164 1.00 25.03 H new ATOM 693 N HIS A 45 16.948 5.535 -18.090 1.00 22.12 N ATOM 694 CA HIS A 45 17.410 4.200 -17.688 1.00 1.42 C ATOM 695 C HIS A 45 17.137 3.148 -18.779 1.00 71.23 C ATOM 696 O HIS A 45 17.877 2.174 -18.910 1.00 13.41 O ATOM 697 CB HIS A 45 16.772 3.793 -16.354 1.00 33.54 C ATOM 698 CG HIS A 45 17.200 4.671 -15.211 1.00 1.40 C ATOM 699 ND1 HIS A 45 17.863 4.199 -14.095 1.00 3.52 N ATOM 700 CD2 HIS A 45 17.056 6.005 -15.015 1.00 21.24 C ATOM 701 CE1 HIS A 45 18.102 5.198 -13.270 1.00 72.42 C ATOM 702 NE2 HIS A 45 17.625 6.300 -13.804 1.00 11.43 N ATOM 0 H HIS A 45 16.092 5.844 -17.629 1.00 22.12 H new ATOM 0 HA HIS A 45 18.491 4.247 -17.554 1.00 1.42 H new ATOM 0 HB2 HIS A 45 15.687 3.831 -16.449 1.00 33.54 H new ATOM 0 HB3 HIS A 45 17.036 2.759 -16.131 1.00 33.54 H new ATOM 0 HD2 HIS A 45 16.582 6.704 -15.688 1.00 21.24 H new ATOM 0 HE1 HIS A 45 18.604 5.124 -12.317 1.00 72.42 H new ATOM 0 HE2 HIS A 45 17.671 7.228 -13.383 1.00 11.43 H new ATOM 711 N LEU A 46 16.078 3.356 -19.563 1.00 22.24 N ATOM 712 CA LEU A 46 15.761 2.468 -20.691 1.00 2.30 C ATOM 713 C LEU A 46 16.816 2.590 -21.801 1.00 33.05 C ATOM 714 O LEU A 46 17.238 1.590 -22.386 1.00 61.14 O ATOM 715 CB LEU A 46 14.363 2.785 -21.248 1.00 22.31 C ATOM 716 CG LEU A 46 13.953 2.001 -22.509 1.00 24.11 C ATOM 717 CD1 LEU A 46 14.046 0.496 -22.274 1.00 4.22 C ATOM 718 CD2 LEU A 46 12.544 2.390 -22.954 1.00 52.41 C ATOM 0 H LEU A 46 15.424 4.129 -19.441 1.00 22.24 H new ATOM 0 HA LEU A 46 15.769 1.441 -20.325 1.00 2.30 H new ATOM 0 HB2 LEU A 46 13.628 2.591 -20.467 1.00 22.31 H new ATOM 0 HB3 LEU A 46 14.315 3.850 -21.473 1.00 22.31 H new ATOM 0 HG LEU A 46 14.649 2.262 -23.306 1.00 24.11 H new ATOM 0 HD11 LEU A 46 13.751 -0.033 -23.180 1.00 4.22 H new ATOM 0 HD12 LEU A 46 15.071 0.231 -22.017 1.00 4.22 H new ATOM 0 HD13 LEU A 46 13.382 0.214 -21.457 1.00 4.22 H new ATOM 0 HD21 LEU A 46 12.275 1.824 -23.846 1.00 52.41 H new ATOM 0 HD22 LEU A 46 11.836 2.167 -22.156 1.00 52.41 H new ATOM 0 HD23 LEU A 46 12.515 3.456 -23.178 1.00 52.41 H new ATOM 730 N GLY A 47 17.237 3.820 -22.087 1.00 5.22 N ATOM 731 CA GLY A 47 18.297 4.043 -23.060 1.00 3.42 C ATOM 732 C GLY A 47 19.589 3.323 -22.687 1.00 12.23 C ATOM 733 O GLY A 47 20.187 2.634 -23.516 1.00 15.14 O ATOM 0 H GLY A 47 16.863 4.668 -21.662 1.00 5.22 H new ATOM 0 HA2 GLY A 47 17.964 3.702 -24.040 1.00 3.42 H new ATOM 0 HA3 GLY A 47 18.491 5.112 -23.143 1.00 3.42 H new ATOM 737 N LYS A 48 20.010 3.476 -21.430 1.00 22.04 N ATOM 738 CA LYS A 48 21.185 2.766 -20.910 1.00 63.05 C ATOM 739 C LYS A 48 21.019 1.241 -21.039 1.00 73.10 C ATOM 740 O LYS A 48 21.993 0.512 -21.257 1.00 31.51 O ATOM 741 CB LYS A 48 21.433 3.143 -19.439 1.00 14.13 C ATOM 742 CG LYS A 48 21.684 4.633 -19.207 1.00 13.24 C ATOM 743 CD LYS A 48 22.858 5.150 -20.038 1.00 14.44 C ATOM 744 CE LYS A 48 23.164 6.616 -19.742 1.00 53.04 C ATOM 745 NZ LYS A 48 23.656 6.819 -18.353 1.00 41.34 N ATOM 0 H LYS A 48 19.555 4.086 -20.751 1.00 22.04 H new ATOM 0 HA LYS A 48 22.046 3.068 -21.507 1.00 63.05 H new ATOM 0 HB2 LYS A 48 20.572 2.835 -18.847 1.00 14.13 H new ATOM 0 HB3 LYS A 48 22.291 2.580 -19.071 1.00 14.13 H new ATOM 0 HG2 LYS A 48 20.785 5.196 -19.459 1.00 13.24 H new ATOM 0 HG3 LYS A 48 21.883 4.807 -18.150 1.00 13.24 H new ATOM 0 HD2 LYS A 48 23.742 4.546 -19.832 1.00 14.44 H new ATOM 0 HD3 LYS A 48 22.632 5.033 -21.098 1.00 14.44 H new ATOM 0 HE2 LYS A 48 23.912 6.979 -20.447 1.00 53.04 H new ATOM 0 HE3 LYS A 48 22.264 7.212 -19.897 1.00 53.04 H new ATOM 0 HZ1 LYS A 48 23.151 7.618 -17.919 1.00 41.34 H new ATOM 0 HZ2 LYS A 48 23.486 5.958 -17.795 1.00 41.34 H new ATOM 0 HZ3 LYS A 48 24.676 7.023 -18.372 1.00 41.34 H new ATOM 759 N LEU A 49 19.783 0.762 -20.895 1.00 4.54 N ATOM 760 CA LEU A 49 19.477 -0.661 -21.080 1.00 52.41 C ATOM 761 C LEU A 49 19.686 -1.083 -22.543 1.00 4.30 C ATOM 762 O LEU A 49 20.302 -2.116 -22.816 1.00 61.33 O ATOM 763 CB LEU A 49 18.042 -0.968 -20.627 1.00 70.20 C ATOM 764 CG LEU A 49 17.599 -2.438 -20.763 1.00 74.21 C ATOM 765 CD1 LEU A 49 18.594 -3.378 -20.082 1.00 52.41 C ATOM 766 CD2 LEU A 49 16.202 -2.626 -20.182 1.00 70.34 C ATOM 0 H LEU A 49 18.976 1.336 -20.651 1.00 4.54 H new ATOM 0 HA LEU A 49 20.164 -1.238 -20.461 1.00 52.41 H new ATOM 0 HB2 LEU A 49 17.939 -0.672 -19.583 1.00 70.20 H new ATOM 0 HB3 LEU A 49 17.357 -0.346 -21.204 1.00 70.20 H new ATOM 0 HG LEU A 49 17.574 -2.688 -21.824 1.00 74.21 H new ATOM 0 HD11 LEU A 49 18.256 -4.408 -20.194 1.00 52.41 H new ATOM 0 HD12 LEU A 49 19.575 -3.266 -20.544 1.00 52.41 H new ATOM 0 HD13 LEU A 49 18.661 -3.131 -19.022 1.00 52.41 H new ATOM 0 HD21 LEU A 49 15.902 -3.669 -20.285 1.00 70.34 H new ATOM 0 HD22 LEU A 49 16.207 -2.352 -19.127 1.00 70.34 H new ATOM 0 HD23 LEU A 49 15.497 -1.991 -20.718 1.00 70.34 H new ATOM 778 N TYR A 50 19.183 -0.279 -23.482 1.00 52.55 N ATOM 779 CA TYR A 50 19.430 -0.519 -24.910 1.00 33.22 C ATOM 780 C TYR A 50 20.933 -0.499 -25.216 1.00 72.13 C ATOM 781 O TYR A 50 21.427 -1.330 -25.977 1.00 13.51 O ATOM 782 CB TYR A 50 18.697 0.511 -25.785 1.00 23.50 C ATOM 783 CG TYR A 50 17.203 0.269 -25.903 1.00 60.31 C ATOM 784 CD1 TYR A 50 16.716 -0.957 -26.352 1.00 44.44 C ATOM 785 CD2 TYR A 50 16.280 1.259 -25.581 1.00 31.24 C ATOM 786 CE1 TYR A 50 15.360 -1.187 -26.474 1.00 33.32 C ATOM 787 CE2 TYR A 50 14.922 1.034 -25.700 1.00 12.32 C ATOM 788 CZ TYR A 50 14.468 -0.189 -26.146 1.00 34.13 C ATOM 789 OH TYR A 50 13.115 -0.413 -26.262 1.00 4.14 O ATOM 0 H TYR A 50 18.606 0.539 -23.284 1.00 52.55 H new ATOM 0 HA TYR A 50 19.039 -1.508 -25.148 1.00 33.22 H new ATOM 0 HB2 TYR A 50 18.862 1.506 -25.372 1.00 23.50 H new ATOM 0 HB3 TYR A 50 19.136 0.503 -26.783 1.00 23.50 H new ATOM 0 HD1 TYR A 50 17.412 -1.742 -26.609 1.00 44.44 H new ATOM 0 HD2 TYR A 50 16.631 2.219 -25.232 1.00 31.24 H new ATOM 0 HE1 TYR A 50 15.001 -2.143 -26.824 1.00 33.32 H new ATOM 0 HE2 TYR A 50 14.219 1.813 -25.445 1.00 12.32 H new ATOM 0 HH TYR A 50 12.936 -1.375 -26.201 1.00 4.14 H new ATOM 799 N GLU A 51 21.658 0.443 -24.610 1.00 41.20 N ATOM 800 CA GLU A 51 23.121 0.494 -24.730 1.00 73.00 C ATOM 801 C GLU A 51 23.762 -0.822 -24.256 1.00 71.40 C ATOM 802 O GLU A 51 24.693 -1.331 -24.882 1.00 65.35 O ATOM 803 CB GLU A 51 23.696 1.675 -23.926 1.00 15.43 C ATOM 804 CG GLU A 51 23.313 3.053 -24.465 1.00 33.52 C ATOM 805 CD GLU A 51 24.009 4.188 -23.725 1.00 30.23 C ATOM 806 OE1 GLU A 51 25.218 4.058 -23.438 1.00 75.12 O ATOM 807 OE2 GLU A 51 23.369 5.227 -23.448 1.00 20.04 O ATOM 0 H GLU A 51 21.259 1.182 -24.031 1.00 41.20 H new ATOM 0 HA GLU A 51 23.359 0.636 -25.784 1.00 73.00 H new ATOM 0 HB2 GLU A 51 23.356 1.595 -22.893 1.00 15.43 H new ATOM 0 HB3 GLU A 51 24.783 1.594 -23.911 1.00 15.43 H new ATOM 0 HG2 GLU A 51 23.565 3.107 -25.524 1.00 33.52 H new ATOM 0 HG3 GLU A 51 22.233 3.182 -24.387 1.00 33.52 H new ATOM 814 N ARG A 52 23.255 -1.373 -23.148 1.00 12.24 N ATOM 815 CA ARG A 52 23.733 -2.670 -22.639 1.00 35.45 C ATOM 816 C ARG A 52 23.444 -3.787 -23.654 1.00 63.52 C ATOM 817 O ARG A 52 24.185 -4.765 -23.757 1.00 32.14 O ATOM 818 CB ARG A 52 23.066 -3.005 -21.292 1.00 52.22 C ATOM 819 CG ARG A 52 23.718 -4.176 -20.555 1.00 44.00 C ATOM 820 CD ARG A 52 22.928 -4.597 -19.316 1.00 43.12 C ATOM 821 NE ARG A 52 23.714 -5.474 -18.446 1.00 14.22 N ATOM 822 CZ ARG A 52 23.340 -6.657 -18.029 1.00 51.24 C ATOM 823 NH1 ARG A 52 22.207 -7.169 -18.390 1.00 31.10 N ATOM 824 NH2 ARG A 52 24.113 -7.333 -17.246 1.00 1.41 N ATOM 0 H ARG A 52 22.518 -0.947 -22.587 1.00 12.24 H new ATOM 0 HA ARG A 52 24.810 -2.597 -22.489 1.00 35.45 H new ATOM 0 HB2 ARG A 52 23.097 -2.123 -20.653 1.00 52.22 H new ATOM 0 HB3 ARG A 52 22.015 -3.237 -21.465 1.00 52.22 H new ATOM 0 HG2 ARG A 52 23.805 -5.025 -21.233 1.00 44.00 H new ATOM 0 HG3 ARG A 52 24.730 -3.898 -20.260 1.00 44.00 H new ATOM 0 HD2 ARG A 52 22.623 -3.710 -18.760 1.00 43.12 H new ATOM 0 HD3 ARG A 52 22.016 -5.110 -19.622 1.00 43.12 H new ATOM 0 HE ARG A 52 24.626 -5.136 -18.140 1.00 14.22 H new ATOM 0 HH11 ARG A 52 21.587 -6.649 -19.011 1.00 31.10 H new ATOM 0 HH12 ARG A 52 21.934 -8.093 -18.054 1.00 31.10 H new ATOM 0 HH21 ARG A 52 25.010 -6.945 -16.955 1.00 1.41 H new ATOM 0 HH22 ARG A 52 23.826 -8.255 -16.918 1.00 1.41 H new ATOM 838 N LEU A 53 22.357 -3.624 -24.404 1.00 35.43 N ATOM 839 CA LEU A 53 21.971 -4.578 -25.449 1.00 72.13 C ATOM 840 C LEU A 53 22.609 -4.217 -26.804 1.00 41.21 C ATOM 841 O LEU A 53 22.226 -4.764 -27.841 1.00 42.10 O ATOM 842 CB LEU A 53 20.442 -4.603 -25.587 1.00 63.12 C ATOM 843 CG LEU A 53 19.666 -4.936 -24.302 1.00 64.45 C ATOM 844 CD1 LEU A 53 18.162 -4.866 -24.548 1.00 74.10 C ATOM 845 CD2 LEU A 53 20.065 -6.311 -23.768 1.00 2.21 C ATOM 0 H LEU A 53 21.720 -2.833 -24.308 1.00 35.43 H new ATOM 0 HA LEU A 53 22.333 -5.564 -25.157 1.00 72.13 H new ATOM 0 HB2 LEU A 53 20.111 -3.629 -25.948 1.00 63.12 H new ATOM 0 HB3 LEU A 53 20.176 -5.333 -26.351 1.00 63.12 H new ATOM 0 HG LEU A 53 19.923 -4.193 -23.547 1.00 64.45 H new ATOM 0 HD11 LEU A 53 17.631 -5.105 -23.627 1.00 74.10 H new ATOM 0 HD12 LEU A 53 17.893 -3.861 -24.872 1.00 74.10 H new ATOM 0 HD13 LEU A 53 17.886 -5.582 -25.322 1.00 74.10 H new ATOM 0 HD21 LEU A 53 19.503 -6.525 -22.859 1.00 2.21 H new ATOM 0 HD22 LEU A 53 19.845 -7.071 -24.518 1.00 2.21 H new ATOM 0 HD23 LEU A 53 21.132 -6.319 -23.546 1.00 2.21 H new ATOM 857 N ASP A 54 23.565 -3.278 -26.784 1.00 23.00 N ATOM 858 CA ASP A 54 24.286 -2.837 -27.991 1.00 21.43 C ATOM 859 C ASP A 54 23.375 -2.046 -28.956 1.00 13.33 C ATOM 860 O ASP A 54 23.791 -1.648 -30.047 1.00 53.13 O ATOM 861 CB ASP A 54 24.918 -4.045 -28.698 1.00 72.11 C ATOM 862 CG ASP A 54 25.865 -3.648 -29.817 1.00 24.01 C ATOM 863 OD1 ASP A 54 26.930 -3.067 -29.520 1.00 41.41 O ATOM 864 OD2 ASP A 54 25.558 -3.923 -30.998 1.00 20.43 O ATOM 0 H ASP A 54 23.862 -2.802 -25.932 1.00 23.00 H new ATOM 0 HA ASP A 54 25.077 -2.157 -27.676 1.00 21.43 H new ATOM 0 HB2 ASP A 54 25.460 -4.645 -27.967 1.00 72.11 H new ATOM 0 HB3 ASP A 54 24.127 -4.676 -29.105 1.00 72.11 H new ATOM 869 N ARG A 55 22.140 -1.798 -28.539 1.00 60.15 N ATOM 870 CA ARG A 55 21.169 -1.085 -29.371 1.00 63.13 C ATOM 871 C ARG A 55 21.382 0.439 -29.300 1.00 50.34 C ATOM 872 O ARG A 55 20.639 1.155 -28.625 1.00 75.01 O ATOM 873 CB ARG A 55 19.737 -1.445 -28.941 1.00 31.15 C ATOM 874 CG ARG A 55 19.451 -2.947 -28.918 1.00 15.15 C ATOM 875 CD ARG A 55 19.612 -3.586 -30.294 1.00 44.43 C ATOM 876 NE ARG A 55 18.720 -2.983 -31.279 1.00 25.53 N ATOM 877 CZ ARG A 55 18.467 -3.489 -32.452 1.00 41.24 C ATOM 878 NH1 ARG A 55 19.021 -4.597 -32.831 1.00 20.51 N ATOM 879 NH2 ARG A 55 17.658 -2.869 -33.245 1.00 1.23 N ATOM 0 H ARG A 55 21.782 -2.080 -27.626 1.00 60.15 H new ATOM 0 HA ARG A 55 21.319 -1.395 -30.405 1.00 63.13 H new ATOM 0 HB2 ARG A 55 19.554 -1.036 -27.947 1.00 31.15 H new ATOM 0 HB3 ARG A 55 19.033 -0.962 -29.619 1.00 31.15 H new ATOM 0 HG2 ARG A 55 20.125 -3.433 -28.213 1.00 15.15 H new ATOM 0 HG3 ARG A 55 18.436 -3.116 -28.557 1.00 15.15 H new ATOM 0 HD2 ARG A 55 20.645 -3.480 -30.626 1.00 44.43 H new ATOM 0 HD3 ARG A 55 19.408 -4.654 -30.225 1.00 44.43 H new ATOM 0 HE ARG A 55 18.263 -2.105 -31.032 1.00 25.53 H new ATOM 0 HH11 ARG A 55 19.665 -5.085 -32.208 1.00 20.51 H new ATOM 0 HH12 ARG A 55 18.814 -4.982 -33.753 1.00 20.51 H new ATOM 0 HH21 ARG A 55 17.226 -1.994 -32.950 1.00 1.23 H new ATOM 0 HH22 ARG A 55 17.451 -3.255 -34.166 1.00 1.23 H new ATOM 893 N THR A 56 22.414 0.920 -29.994 1.00 42.20 N ATOM 894 CA THR A 56 22.758 2.351 -29.999 1.00 21.22 C ATOM 895 C THR A 56 21.625 3.216 -30.574 1.00 21.34 C ATOM 896 O THR A 56 21.198 4.184 -29.948 1.00 73.32 O ATOM 897 CB THR A 56 24.057 2.622 -30.804 1.00 21.22 C ATOM 898 OG1 THR A 56 25.173 1.977 -30.171 1.00 11.42 O ATOM 899 CG2 THR A 56 24.345 4.119 -30.923 1.00 34.15 C ATOM 0 H THR A 56 23.031 0.341 -30.563 1.00 42.20 H new ATOM 0 HA THR A 56 22.915 2.626 -28.956 1.00 21.22 H new ATOM 0 HB THR A 56 23.911 2.218 -31.806 1.00 21.22 H new ATOM 0 HG1 THR A 56 25.988 2.152 -30.687 1.00 11.42 H new ATOM 0 HG21 THR A 56 25.262 4.269 -31.493 1.00 34.15 H new ATOM 0 HG22 THR A 56 23.516 4.610 -31.433 1.00 34.15 H new ATOM 0 HG23 THR A 56 24.462 4.547 -29.928 1.00 34.15 H new ATOM 907 N ASP A 57 21.133 2.852 -31.756 1.00 14.52 N ATOM 908 CA ASP A 57 20.094 3.631 -32.440 1.00 60.03 C ATOM 909 C ASP A 57 18.775 3.620 -31.647 1.00 4.31 C ATOM 910 O ASP A 57 18.119 4.655 -31.495 1.00 54.33 O ATOM 911 CB ASP A 57 19.876 3.073 -33.849 1.00 74.13 C ATOM 912 CG ASP A 57 18.863 3.873 -34.649 1.00 33.13 C ATOM 913 OD1 ASP A 57 17.655 3.573 -34.559 1.00 44.01 O ATOM 914 OD2 ASP A 57 19.269 4.799 -35.377 1.00 14.11 O ATOM 0 H ASP A 57 21.436 2.021 -32.264 1.00 14.52 H new ATOM 0 HA ASP A 57 20.428 4.666 -32.510 1.00 60.03 H new ATOM 0 HB2 ASP A 57 20.827 3.063 -34.382 1.00 74.13 H new ATOM 0 HB3 ASP A 57 19.540 2.039 -33.777 1.00 74.13 H new ATOM 919 N ASP A 58 18.394 2.446 -31.143 1.00 4.43 N ATOM 920 CA ASP A 58 17.184 2.308 -30.325 1.00 41.31 C ATOM 921 C ASP A 58 17.302 3.126 -29.024 1.00 72.12 C ATOM 922 O ASP A 58 16.317 3.690 -28.536 1.00 75.30 O ATOM 923 CB ASP A 58 16.925 0.830 -30.007 1.00 35.42 C ATOM 924 CG ASP A 58 16.755 -0.015 -31.263 1.00 64.11 C ATOM 925 OD1 ASP A 58 17.775 -0.405 -31.868 1.00 62.44 O ATOM 926 OD2 ASP A 58 15.604 -0.306 -31.642 1.00 21.32 O ATOM 0 H ASP A 58 18.905 1.575 -31.286 1.00 4.43 H new ATOM 0 HA ASP A 58 16.340 2.698 -30.894 1.00 41.31 H new ATOM 0 HB2 ASP A 58 17.754 0.438 -29.418 1.00 35.42 H new ATOM 0 HB3 ASP A 58 16.029 0.745 -29.392 1.00 35.42 H new ATOM 931 N ALA A 59 18.513 3.184 -28.467 1.00 51.31 N ATOM 932 CA ALA A 59 18.785 4.025 -27.298 1.00 73.45 C ATOM 933 C ALA A 59 18.623 5.512 -27.645 1.00 32.24 C ATOM 934 O ALA A 59 17.890 6.243 -26.973 1.00 63.41 O ATOM 935 CB ALA A 59 20.189 3.753 -26.762 1.00 44.20 C ATOM 0 H ALA A 59 19.320 2.660 -28.805 1.00 51.31 H new ATOM 0 HA ALA A 59 18.061 3.775 -26.523 1.00 73.45 H new ATOM 0 HB1 ALA A 59 20.376 4.385 -25.894 1.00 44.20 H new ATOM 0 HB2 ALA A 59 20.271 2.705 -26.472 1.00 44.20 H new ATOM 0 HB3 ALA A 59 20.923 3.974 -27.537 1.00 44.20 H new ATOM 941 N ILE A 60 19.302 5.944 -28.710 1.00 44.42 N ATOM 942 CA ILE A 60 19.224 7.332 -29.186 1.00 75.44 C ATOM 943 C ILE A 60 17.767 7.764 -29.420 1.00 45.55 C ATOM 944 O ILE A 60 17.376 8.867 -29.044 1.00 20.30 O ATOM 945 CB ILE A 60 20.036 7.522 -30.496 1.00 30.14 C ATOM 946 CG1 ILE A 60 21.530 7.247 -30.247 1.00 11.42 C ATOM 947 CG2 ILE A 60 19.834 8.927 -31.066 1.00 51.13 C ATOM 948 CD1 ILE A 60 22.383 7.317 -31.497 1.00 3.41 C ATOM 0 H ILE A 60 19.917 5.349 -29.265 1.00 44.42 H new ATOM 0 HA ILE A 60 19.655 7.960 -28.406 1.00 75.44 H new ATOM 0 HB ILE A 60 19.670 6.805 -31.231 1.00 30.14 H new ATOM 0 HG12 ILE A 60 21.906 7.968 -29.521 1.00 11.42 H new ATOM 0 HG13 ILE A 60 21.638 6.259 -29.800 1.00 11.42 H new ATOM 0 HG21 ILE A 60 20.413 9.034 -31.983 1.00 51.13 H new ATOM 0 HG22 ILE A 60 18.777 9.083 -31.284 1.00 51.13 H new ATOM 0 HG23 ILE A 60 20.167 9.666 -30.338 1.00 51.13 H new ATOM 0 HD11 ILE A 60 23.422 7.112 -31.240 1.00 3.41 H new ATOM 0 HD12 ILE A 60 22.034 6.577 -32.217 1.00 3.41 H new ATOM 0 HD13 ILE A 60 22.307 8.313 -31.934 1.00 3.41 H new ATOM 960 N ASP A 61 16.977 6.886 -30.038 1.00 45.13 N ATOM 961 CA ASP A 61 15.547 7.137 -30.260 1.00 73.22 C ATOM 962 C ASP A 61 14.821 7.428 -28.939 1.00 45.44 C ATOM 963 O ASP A 61 14.138 8.447 -28.794 1.00 35.12 O ATOM 964 CB ASP A 61 14.909 5.925 -30.948 1.00 54.04 C ATOM 965 CG ASP A 61 13.406 6.071 -31.107 1.00 15.35 C ATOM 966 OD1 ASP A 61 12.968 6.837 -31.990 1.00 12.32 O ATOM 967 OD2 ASP A 61 12.658 5.409 -30.357 1.00 52.34 O ATOM 0 H ASP A 61 17.303 5.989 -30.397 1.00 45.13 H new ATOM 0 HA ASP A 61 15.451 8.014 -30.900 1.00 73.22 H new ATOM 0 HB2 ASP A 61 15.363 5.788 -31.929 1.00 54.04 H new ATOM 0 HB3 ASP A 61 15.124 5.027 -30.368 1.00 54.04 H new ATOM 972 N THR A 62 14.984 6.522 -27.979 1.00 14.42 N ATOM 973 CA THR A 62 14.385 6.673 -26.649 1.00 61.32 C ATOM 974 C THR A 62 14.782 8.013 -26.006 1.00 10.10 C ATOM 975 O THR A 62 13.951 8.699 -25.406 1.00 31.23 O ATOM 976 CB THR A 62 14.803 5.508 -25.718 1.00 71.14 C ATOM 977 OG1 THR A 62 14.438 4.252 -26.317 1.00 11.25 O ATOM 978 CG2 THR A 62 14.143 5.626 -24.347 1.00 2.33 C ATOM 0 H THR A 62 15.530 5.668 -28.095 1.00 14.42 H new ATOM 0 HA THR A 62 13.303 6.655 -26.779 1.00 61.32 H new ATOM 0 HB THR A 62 15.884 5.557 -25.583 1.00 71.14 H new ATOM 0 HG1 THR A 62 15.060 4.044 -27.045 1.00 11.25 H new ATOM 0 HG21 THR A 62 14.458 4.793 -23.719 1.00 2.33 H new ATOM 0 HG22 THR A 62 14.440 6.565 -23.880 1.00 2.33 H new ATOM 0 HG23 THR A 62 13.059 5.605 -24.462 1.00 2.33 H new ATOM 986 N TYR A 63 16.056 8.387 -26.145 1.00 53.42 N ATOM 987 CA TYR A 63 16.535 9.690 -25.664 1.00 3.00 C ATOM 988 C TYR A 63 15.914 10.848 -26.466 1.00 23.32 C ATOM 989 O TYR A 63 15.547 11.872 -25.902 1.00 54.01 O ATOM 990 CB TYR A 63 18.069 9.777 -25.748 1.00 70.12 C ATOM 991 CG TYR A 63 18.802 8.804 -24.839 1.00 51.13 C ATOM 992 CD1 TYR A 63 18.547 8.774 -23.472 1.00 74.42 C ATOM 993 CD2 TYR A 63 19.749 7.919 -25.347 1.00 65.23 C ATOM 994 CE1 TYR A 63 19.212 7.894 -22.641 1.00 52.45 C ATOM 995 CE2 TYR A 63 20.417 7.037 -24.520 1.00 50.14 C ATOM 996 CZ TYR A 63 20.145 7.028 -23.170 1.00 13.15 C ATOM 997 OH TYR A 63 20.814 6.155 -22.344 1.00 62.42 O ATOM 0 H TYR A 63 16.774 7.811 -26.584 1.00 53.42 H new ATOM 0 HA TYR A 63 16.226 9.780 -24.622 1.00 3.00 H new ATOM 0 HB2 TYR A 63 18.376 9.595 -26.778 1.00 70.12 H new ATOM 0 HB3 TYR A 63 18.378 10.792 -25.498 1.00 70.12 H new ATOM 0 HD1 TYR A 63 17.817 9.450 -23.053 1.00 74.42 H new ATOM 0 HD2 TYR A 63 19.965 7.922 -26.405 1.00 65.23 H new ATOM 0 HE1 TYR A 63 19.002 7.884 -21.582 1.00 52.45 H new ATOM 0 HE2 TYR A 63 21.149 6.357 -24.930 1.00 50.14 H new ATOM 0 HH TYR A 63 21.631 5.846 -22.788 1.00 62.42 H new ATOM 1007 N ALA A 64 15.790 10.666 -27.781 1.00 70.42 N ATOM 1008 CA ALA A 64 15.278 11.713 -28.677 1.00 72.33 C ATOM 1009 C ALA A 64 13.826 12.097 -28.348 1.00 32.05 C ATOM 1010 O ALA A 64 13.514 13.273 -28.151 1.00 53.14 O ATOM 1011 CB ALA A 64 15.392 11.265 -30.130 1.00 60.31 C ATOM 0 H ALA A 64 16.038 9.798 -28.256 1.00 70.42 H new ATOM 0 HA ALA A 64 15.891 12.602 -28.525 1.00 72.33 H new ATOM 0 HB1 ALA A 64 15.010 12.049 -30.784 1.00 60.31 H new ATOM 0 HB2 ALA A 64 16.437 11.070 -30.370 1.00 60.31 H new ATOM 0 HB3 ALA A 64 14.811 10.355 -30.277 1.00 60.31 H new ATOM 1017 N GLN A 65 12.940 11.106 -28.294 1.00 1.51 N ATOM 1018 CA GLN A 65 11.540 11.350 -27.924 1.00 51.02 C ATOM 1019 C GLN A 65 11.461 11.792 -26.450 1.00 31.31 C ATOM 1020 O GLN A 65 10.645 12.642 -26.072 1.00 25.13 O ATOM 1021 CB GLN A 65 10.701 10.081 -28.186 1.00 21.43 C ATOM 1022 CG GLN A 65 9.189 10.318 -28.284 1.00 32.35 C ATOM 1023 CD GLN A 65 8.493 10.490 -26.941 1.00 15.21 C ATOM 1024 OE1 GLN A 65 7.523 11.227 -26.825 1.00 3.33 O ATOM 1025 NE2 GLN A 65 8.949 9.784 -25.928 1.00 5.53 N ATOM 0 H GLN A 65 13.160 10.131 -28.499 1.00 1.51 H new ATOM 0 HA GLN A 65 11.130 12.153 -28.536 1.00 51.02 H new ATOM 0 HB2 GLN A 65 11.043 9.621 -29.113 1.00 21.43 H new ATOM 0 HB3 GLN A 65 10.891 9.365 -27.386 1.00 21.43 H new ATOM 0 HG2 GLN A 65 9.011 11.207 -28.889 1.00 32.35 H new ATOM 0 HG3 GLN A 65 8.735 9.478 -28.810 1.00 32.35 H new ATOM 0 HE21 GLN A 65 9.760 9.178 -26.053 1.00 5.53 H new ATOM 0 HE22 GLN A 65 8.492 9.843 -25.018 1.00 5.53 H new ATOM 1034 N GLY A 66 12.345 11.223 -25.628 1.00 4.30 N ATOM 1035 CA GLY A 66 12.466 11.645 -24.240 1.00 1.01 C ATOM 1036 C GLY A 66 12.828 13.121 -24.104 1.00 45.03 C ATOM 1037 O GLY A 66 12.325 13.804 -23.221 1.00 61.45 O ATOM 0 H GLY A 66 12.982 10.474 -25.901 1.00 4.30 H new ATOM 0 HA2 GLY A 66 11.525 11.457 -23.724 1.00 1.01 H new ATOM 0 HA3 GLY A 66 13.227 11.041 -23.746 1.00 1.01 H new ATOM 1041 N ILE A 67 13.702 13.611 -24.987 1.00 44.31 N ATOM 1042 CA ILE A 67 14.097 15.029 -25.009 1.00 23.40 C ATOM 1043 C ILE A 67 12.873 15.958 -25.026 1.00 62.41 C ATOM 1044 O ILE A 67 12.837 16.974 -24.326 1.00 64.24 O ATOM 1045 CB ILE A 67 15.003 15.328 -26.243 1.00 41.12 C ATOM 1046 CG1 ILE A 67 16.434 14.815 -25.997 1.00 35.02 C ATOM 1047 CG2 ILE A 67 15.013 16.818 -26.600 1.00 22.41 C ATOM 1048 CD1 ILE A 67 17.371 15.020 -27.171 1.00 21.32 C ATOM 0 H ILE A 67 14.155 13.044 -25.704 1.00 44.31 H new ATOM 0 HA ILE A 67 14.659 15.223 -24.095 1.00 23.40 H new ATOM 0 HB ILE A 67 14.581 14.796 -27.096 1.00 41.12 H new ATOM 0 HG12 ILE A 67 16.846 15.321 -25.124 1.00 35.02 H new ATOM 0 HG13 ILE A 67 16.392 13.752 -25.759 1.00 35.02 H new ATOM 0 HG21 ILE A 67 15.656 16.981 -27.465 1.00 22.41 H new ATOM 0 HG22 ILE A 67 13.999 17.143 -26.836 1.00 22.41 H new ATOM 0 HG23 ILE A 67 15.390 17.392 -25.754 1.00 22.41 H new ATOM 0 HD11 ILE A 67 18.359 14.633 -26.920 1.00 21.32 H new ATOM 0 HD12 ILE A 67 16.984 14.491 -28.042 1.00 21.32 H new ATOM 0 HD13 ILE A 67 17.445 16.084 -27.396 1.00 21.32 H new ATOM 1060 N GLU A 68 11.869 15.592 -25.811 1.00 45.12 N ATOM 1061 CA GLU A 68 10.656 16.401 -25.947 1.00 4.42 C ATOM 1062 C GLU A 68 9.878 16.464 -24.624 1.00 73.33 C ATOM 1063 O GLU A 68 9.637 17.544 -24.078 1.00 44.22 O ATOM 1064 CB GLU A 68 9.770 15.812 -27.051 1.00 10.14 C ATOM 1065 CG GLU A 68 10.507 15.565 -28.365 1.00 24.14 C ATOM 1066 CD GLU A 68 11.099 16.834 -28.964 1.00 45.33 C ATOM 1067 OE1 GLU A 68 10.375 17.554 -29.678 1.00 72.21 O ATOM 1068 OE2 GLU A 68 12.293 17.123 -28.718 1.00 74.23 O ATOM 0 H GLU A 68 11.867 14.737 -26.367 1.00 45.12 H new ATOM 0 HA GLU A 68 10.947 17.417 -26.213 1.00 4.42 H new ATOM 0 HB2 GLU A 68 9.346 14.871 -26.701 1.00 10.14 H new ATOM 0 HB3 GLU A 68 8.936 16.489 -27.235 1.00 10.14 H new ATOM 0 HG2 GLU A 68 11.306 14.843 -28.197 1.00 24.14 H new ATOM 0 HG3 GLU A 68 9.819 15.118 -29.083 1.00 24.14 H new ATOM 1075 N VAL A 69 9.527 15.298 -24.090 1.00 43.45 N ATOM 1076 CA VAL A 69 8.739 15.225 -22.853 1.00 20.45 C ATOM 1077 C VAL A 69 9.561 15.635 -21.612 1.00 42.21 C ATOM 1078 O VAL A 69 9.004 16.082 -20.607 1.00 13.35 O ATOM 1079 CB VAL A 69 8.153 13.805 -22.646 1.00 1.21 C ATOM 1080 CG1 VAL A 69 7.203 13.442 -23.787 1.00 24.31 C ATOM 1081 CG2 VAL A 69 9.269 12.772 -22.520 1.00 2.52 C ATOM 0 H VAL A 69 9.772 14.392 -24.488 1.00 43.45 H new ATOM 0 HA VAL A 69 7.921 15.936 -22.965 1.00 20.45 H new ATOM 0 HB VAL A 69 7.584 13.803 -21.716 1.00 1.21 H new ATOM 0 HG11 VAL A 69 6.803 12.442 -23.623 1.00 24.31 H new ATOM 0 HG12 VAL A 69 6.384 14.160 -23.820 1.00 24.31 H new ATOM 0 HG13 VAL A 69 7.745 13.465 -24.733 1.00 24.31 H new ATOM 0 HG21 VAL A 69 8.835 11.783 -22.375 1.00 2.52 H new ATOM 0 HG22 VAL A 69 9.871 12.774 -23.428 1.00 2.52 H new ATOM 0 HG23 VAL A 69 9.899 13.020 -21.666 1.00 2.52 H new ATOM 1091 N ALA A 70 10.884 15.497 -21.693 1.00 21.21 N ATOM 1092 CA ALA A 70 11.772 15.840 -20.573 1.00 73.54 C ATOM 1093 C ALA A 70 11.739 17.336 -20.256 1.00 71.31 C ATOM 1094 O ALA A 70 11.518 17.735 -19.117 1.00 23.23 O ATOM 1095 CB ALA A 70 13.202 15.404 -20.872 1.00 13.05 C ATOM 0 H ALA A 70 11.368 15.150 -22.521 1.00 21.21 H new ATOM 0 HA ALA A 70 11.407 15.304 -19.696 1.00 73.54 H new ATOM 0 HB1 ALA A 70 13.845 15.666 -20.032 1.00 13.05 H new ATOM 0 HB2 ALA A 70 13.229 14.325 -21.027 1.00 13.05 H new ATOM 0 HB3 ALA A 70 13.556 15.909 -21.771 1.00 13.05 H new ATOM 1101 N ARG A 71 11.954 18.161 -21.271 1.00 42.21 N ATOM 1102 CA ARG A 71 11.974 19.615 -21.087 1.00 2.35 C ATOM 1103 C ARG A 71 10.575 20.189 -20.814 1.00 24.42 C ATOM 1104 O ARG A 71 10.427 21.109 -20.008 1.00 0.03 O ATOM 1105 CB ARG A 71 12.609 20.295 -22.306 1.00 61.53 C ATOM 1106 CG ARG A 71 12.032 19.842 -23.642 1.00 53.53 C ATOM 1107 CD ARG A 71 12.809 20.419 -24.820 1.00 31.43 C ATOM 1108 NE ARG A 71 12.420 19.803 -26.086 1.00 42.20 N ATOM 1109 CZ ARG A 71 12.161 20.471 -27.180 1.00 33.04 C ATOM 1110 NH1 ARG A 71 12.205 21.764 -27.180 1.00 65.43 N ATOM 1111 NH2 ARG A 71 11.861 19.844 -28.272 1.00 50.53 N ATOM 0 H ARG A 71 12.117 17.855 -22.230 1.00 42.21 H new ATOM 0 HA ARG A 71 12.580 19.823 -20.205 1.00 2.35 H new ATOM 0 HB2 ARG A 71 12.481 21.374 -22.214 1.00 61.53 H new ATOM 0 HB3 ARG A 71 13.681 20.099 -22.300 1.00 61.53 H new ATOM 0 HG2 ARG A 71 12.048 18.753 -23.694 1.00 53.53 H new ATOM 0 HG3 ARG A 71 10.988 20.149 -23.710 1.00 53.53 H new ATOM 0 HD2 ARG A 71 12.641 21.495 -24.873 1.00 31.43 H new ATOM 0 HD3 ARG A 71 13.877 20.271 -24.658 1.00 31.43 H new ATOM 0 HE ARG A 71 12.346 18.786 -26.119 1.00 42.20 H new ATOM 0 HH11 ARG A 71 12.442 22.266 -26.325 1.00 65.43 H new ATOM 0 HH12 ARG A 71 12.002 22.281 -28.035 1.00 65.43 H new ATOM 0 HH21 ARG A 71 11.826 18.825 -28.282 1.00 50.53 H new ATOM 0 HH22 ARG A 71 11.660 20.369 -29.123 1.00 50.53 H new ATOM 1125 N GLU A 72 9.547 19.650 -21.469 1.00 10.32 N ATOM 1126 CA GLU A 72 8.180 20.165 -21.294 1.00 4.53 C ATOM 1127 C GLU A 72 7.531 19.667 -19.990 1.00 14.32 C ATOM 1128 O GLU A 72 7.041 20.465 -19.190 1.00 31.41 O ATOM 1129 CB GLU A 72 7.302 19.778 -22.493 1.00 52.51 C ATOM 1130 CG GLU A 72 7.796 20.336 -23.825 1.00 4.10 C ATOM 1131 CD GLU A 72 6.829 20.074 -24.970 1.00 24.40 C ATOM 1132 OE1 GLU A 72 6.734 18.916 -25.420 1.00 42.33 O ATOM 1133 OE2 GLU A 72 6.154 21.030 -25.419 1.00 10.23 O ATOM 0 H GLU A 72 9.627 18.867 -22.118 1.00 10.32 H new ATOM 0 HA GLU A 72 8.255 21.251 -21.232 1.00 4.53 H new ATOM 0 HB2 GLU A 72 7.254 18.691 -22.561 1.00 52.51 H new ATOM 0 HB3 GLU A 72 6.286 20.131 -22.316 1.00 52.51 H new ATOM 0 HG2 GLU A 72 7.954 21.410 -23.727 1.00 4.10 H new ATOM 0 HG3 GLU A 72 8.763 19.892 -24.063 1.00 4.10 H new ATOM 1140 N GLU A 73 7.536 18.354 -19.771 1.00 34.15 N ATOM 1141 CA GLU A 73 6.854 17.764 -18.608 1.00 62.12 C ATOM 1142 C GLU A 73 7.788 17.621 -17.396 1.00 14.00 C ATOM 1143 O GLU A 73 7.376 17.856 -16.256 1.00 41.35 O ATOM 1144 CB GLU A 73 6.254 16.402 -18.984 1.00 5.43 C ATOM 1145 CG GLU A 73 5.262 16.474 -20.143 1.00 24.02 C ATOM 1146 CD GLU A 73 4.120 17.449 -19.880 1.00 11.15 C ATOM 1147 OE1 GLU A 73 3.258 17.151 -19.027 1.00 72.21 O ATOM 1148 OE2 GLU A 73 4.078 18.522 -20.523 1.00 65.32 O ATOM 0 H GLU A 73 8.000 17.677 -20.376 1.00 34.15 H new ATOM 0 HA GLU A 73 6.054 18.445 -18.318 1.00 62.12 H new ATOM 0 HB2 GLU A 73 7.061 15.719 -19.248 1.00 5.43 H new ATOM 0 HB3 GLU A 73 5.753 15.981 -18.112 1.00 5.43 H new ATOM 0 HG2 GLU A 73 5.789 16.774 -21.049 1.00 24.02 H new ATOM 0 HG3 GLU A 73 4.852 15.481 -20.327 1.00 24.02 H new ATOM 1155 N GLY A 74 9.037 17.232 -17.642 1.00 50.33 N ATOM 1156 CA GLY A 74 10.019 17.131 -16.563 1.00 0.01 C ATOM 1157 C GLY A 74 10.723 18.458 -16.288 1.00 25.53 C ATOM 1158 O GLY A 74 10.087 19.437 -15.892 1.00 0.52 O ATOM 0 H GLY A 74 9.391 16.984 -18.566 1.00 50.33 H new ATOM 0 HA2 GLY A 74 9.522 16.792 -15.654 1.00 0.01 H new ATOM 0 HA3 GLY A 74 10.762 16.376 -16.821 1.00 0.01 H new ATOM 1162 N THR A 75 12.036 18.501 -16.514 1.00 74.21 N ATOM 1163 CA THR A 75 12.816 19.734 -16.332 1.00 13.22 C ATOM 1164 C THR A 75 14.073 19.743 -17.216 1.00 35.03 C ATOM 1165 O THR A 75 14.471 18.713 -17.767 1.00 3.53 O ATOM 1166 CB THR A 75 13.231 19.945 -14.852 1.00 5.42 C ATOM 1167 OG1 THR A 75 13.937 21.187 -14.708 1.00 42.13 O ATOM 1168 CG2 THR A 75 14.110 18.805 -14.349 1.00 32.12 C ATOM 0 H THR A 75 12.585 17.699 -16.823 1.00 74.21 H new ATOM 0 HA THR A 75 12.163 20.554 -16.632 1.00 13.22 H new ATOM 0 HB THR A 75 12.319 19.966 -14.255 1.00 5.42 H new ATOM 0 HG1 THR A 75 14.193 21.311 -13.770 1.00 42.13 H new ATOM 0 HG21 THR A 75 14.381 18.986 -13.309 1.00 32.12 H new ATOM 0 HG22 THR A 75 13.564 17.865 -14.423 1.00 32.12 H new ATOM 0 HG23 THR A 75 15.014 18.748 -14.955 1.00 32.12 H new ATOM 1176 N GLN A 76 14.698 20.914 -17.339 1.00 1.13 N ATOM 1177 CA GLN A 76 15.892 21.090 -18.178 1.00 23.43 C ATOM 1178 C GLN A 76 17.033 20.141 -17.758 1.00 42.32 C ATOM 1179 O GLN A 76 17.813 19.685 -18.596 1.00 61.01 O ATOM 1180 CB GLN A 76 16.365 22.552 -18.096 1.00 60.01 C ATOM 1181 CG GLN A 76 17.567 22.887 -18.983 1.00 42.43 C ATOM 1182 CD GLN A 76 17.259 22.829 -20.476 1.00 11.33 C ATOM 1183 OE1 GLN A 76 18.119 22.498 -21.284 1.00 13.24 O ATOM 1184 NE2 GLN A 76 16.042 23.168 -20.860 1.00 71.32 N ATOM 0 H GLN A 76 14.396 21.765 -16.865 1.00 1.13 H new ATOM 0 HA GLN A 76 15.623 20.844 -19.205 1.00 23.43 H new ATOM 0 HB2 GLN A 76 15.536 23.204 -18.370 1.00 60.01 H new ATOM 0 HB3 GLN A 76 16.620 22.779 -17.061 1.00 60.01 H new ATOM 0 HG2 GLN A 76 17.925 23.886 -18.733 1.00 42.43 H new ATOM 0 HG3 GLN A 76 18.377 22.193 -18.760 1.00 42.43 H new ATOM 0 HE21 GLN A 76 15.345 23.439 -20.166 1.00 71.32 H new ATOM 0 HE22 GLN A 76 15.799 23.158 -21.850 1.00 71.32 H new ATOM 1193 N LYS A 77 17.121 19.841 -16.461 1.00 14.23 N ATOM 1194 CA LYS A 77 18.180 18.965 -15.946 1.00 72.33 C ATOM 1195 C LYS A 77 18.044 17.533 -16.498 1.00 12.54 C ATOM 1196 O LYS A 77 19.015 16.958 -16.995 1.00 72.04 O ATOM 1197 CB LYS A 77 18.169 18.946 -14.410 1.00 62.14 C ATOM 1198 CG LYS A 77 19.459 18.399 -13.803 1.00 64.31 C ATOM 1199 CD LYS A 77 19.433 18.416 -12.276 1.00 24.25 C ATOM 1200 CE LYS A 77 20.813 18.132 -11.685 1.00 42.13 C ATOM 1201 NZ LYS A 77 21.370 16.832 -12.141 1.00 11.14 N ATOM 0 H LYS A 77 16.477 20.188 -15.750 1.00 14.23 H new ATOM 0 HA LYS A 77 19.134 19.368 -16.286 1.00 72.33 H new ATOM 0 HB2 LYS A 77 18.004 19.959 -14.042 1.00 62.14 H new ATOM 0 HB3 LYS A 77 17.329 18.341 -14.067 1.00 62.14 H new ATOM 0 HG2 LYS A 77 19.617 17.378 -14.150 1.00 64.31 H new ATOM 0 HG3 LYS A 77 20.304 18.990 -14.157 1.00 64.31 H new ATOM 0 HD2 LYS A 77 19.081 19.387 -11.929 1.00 24.25 H new ATOM 0 HD3 LYS A 77 18.722 17.672 -11.916 1.00 24.25 H new ATOM 0 HE2 LYS A 77 21.496 18.934 -11.964 1.00 42.13 H new ATOM 0 HE3 LYS A 77 20.746 18.134 -10.597 1.00 42.13 H new ATOM 0 HZ1 LYS A 77 22.283 16.662 -11.673 1.00 11.14 H new ATOM 0 HZ2 LYS A 77 20.709 16.067 -11.898 1.00 11.14 H new ATOM 0 HZ3 LYS A 77 21.508 16.856 -13.172 1.00 11.14 H new ATOM 1215 N ASP A 78 16.837 16.962 -16.419 1.00 74.33 N ATOM 1216 CA ASP A 78 16.574 15.642 -17.011 1.00 3.43 C ATOM 1217 C ASP A 78 16.854 15.652 -18.522 1.00 0.34 C ATOM 1218 O ASP A 78 17.408 14.695 -19.071 1.00 3.22 O ATOM 1219 CB ASP A 78 15.130 15.205 -16.741 1.00 5.14 C ATOM 1220 CG ASP A 78 14.907 14.853 -15.282 1.00 21.41 C ATOM 1221 OD1 ASP A 78 15.138 13.686 -14.905 1.00 73.34 O ATOM 1222 OD2 ASP A 78 14.518 15.741 -14.500 1.00 61.41 O ATOM 0 H ASP A 78 16.033 17.386 -15.956 1.00 74.33 H new ATOM 0 HA ASP A 78 17.247 14.924 -16.542 1.00 3.43 H new ATOM 0 HB2 ASP A 78 14.449 16.006 -17.029 1.00 5.14 H new ATOM 0 HB3 ASP A 78 14.890 14.343 -17.363 1.00 5.14 H new ATOM 1227 N LEU A 79 16.469 16.744 -19.184 1.00 52.45 N ATOM 1228 CA LEU A 79 16.799 16.947 -20.599 1.00 15.31 C ATOM 1229 C LEU A 79 18.316 16.836 -20.826 1.00 2.05 C ATOM 1230 O LEU A 79 18.776 16.111 -21.712 1.00 1.53 O ATOM 1231 CB LEU A 79 16.308 18.323 -21.076 1.00 41.53 C ATOM 1232 CG LEU A 79 16.782 18.731 -22.482 1.00 71.21 C ATOM 1233 CD1 LEU A 79 16.235 17.775 -23.532 1.00 14.31 C ATOM 1234 CD2 LEU A 79 16.388 20.170 -22.801 1.00 34.54 C ATOM 0 H LEU A 79 15.929 17.502 -18.766 1.00 52.45 H new ATOM 0 HA LEU A 79 16.297 16.169 -21.174 1.00 15.31 H new ATOM 0 HB2 LEU A 79 15.218 18.329 -21.061 1.00 41.53 H new ATOM 0 HB3 LEU A 79 16.641 19.078 -20.364 1.00 41.53 H new ATOM 0 HG LEU A 79 17.870 18.672 -22.499 1.00 71.21 H new ATOM 0 HD11 LEU A 79 16.582 18.081 -24.519 1.00 14.31 H new ATOM 0 HD12 LEU A 79 16.585 16.764 -23.322 1.00 14.31 H new ATOM 0 HD13 LEU A 79 15.145 17.794 -23.509 1.00 14.31 H new ATOM 0 HD21 LEU A 79 16.736 20.430 -23.801 1.00 34.54 H new ATOM 0 HD22 LEU A 79 15.303 20.268 -22.758 1.00 34.54 H new ATOM 0 HD23 LEU A 79 16.842 20.842 -22.073 1.00 34.54 H new ATOM 1246 N SER A 80 19.082 17.560 -20.008 1.00 61.10 N ATOM 1247 CA SER A 80 20.548 17.559 -20.098 1.00 0.24 C ATOM 1248 C SER A 80 21.117 16.141 -19.963 1.00 62.12 C ATOM 1249 O SER A 80 22.041 15.766 -20.684 1.00 42.01 O ATOM 1250 CB SER A 80 21.154 18.467 -19.017 1.00 51.51 C ATOM 1251 OG SER A 80 22.563 18.583 -19.164 1.00 31.31 O ATOM 0 H SER A 80 18.711 18.159 -19.270 1.00 61.10 H new ATOM 0 HA SER A 80 20.817 17.943 -21.082 1.00 0.24 H new ATOM 0 HB2 SER A 80 20.699 19.456 -19.074 1.00 51.51 H new ATOM 0 HB3 SER A 80 20.922 18.065 -18.031 1.00 51.51 H new ATOM 0 HG SER A 80 22.918 19.168 -18.463 1.00 31.31 H new ATOM 1257 N GLU A 81 20.551 15.354 -19.046 1.00 0.31 N ATOM 1258 CA GLU A 81 20.965 13.958 -18.852 1.00 75.43 C ATOM 1259 C GLU A 81 20.742 13.123 -20.124 1.00 40.52 C ATOM 1260 O GLU A 81 21.604 12.334 -20.523 1.00 52.23 O ATOM 1261 CB GLU A 81 20.198 13.331 -17.677 1.00 71.25 C ATOM 1262 CG GLU A 81 20.436 14.022 -16.337 1.00 2.33 C ATOM 1263 CD GLU A 81 21.899 14.008 -15.921 1.00 52.35 C ATOM 1264 OE1 GLU A 81 22.337 13.020 -15.296 1.00 61.44 O ATOM 1265 OE2 GLU A 81 22.619 14.985 -16.213 1.00 4.44 O ATOM 0 H GLU A 81 19.803 15.658 -18.423 1.00 0.31 H new ATOM 0 HA GLU A 81 22.032 13.959 -18.628 1.00 75.43 H new ATOM 0 HB2 GLU A 81 19.131 13.353 -17.900 1.00 71.25 H new ATOM 0 HB3 GLU A 81 20.484 12.283 -17.589 1.00 71.25 H new ATOM 0 HG2 GLU A 81 20.090 15.054 -16.398 1.00 2.33 H new ATOM 0 HG3 GLU A 81 19.839 13.531 -15.568 1.00 2.33 H new ATOM 1272 N LEU A 82 19.581 13.301 -20.756 1.00 11.32 N ATOM 1273 CA LEU A 82 19.248 12.579 -21.991 1.00 11.11 C ATOM 1274 C LEU A 82 20.179 12.985 -23.143 1.00 44.15 C ATOM 1275 O LEU A 82 20.716 12.132 -23.857 1.00 13.04 O ATOM 1276 CB LEU A 82 17.785 12.839 -22.378 1.00 64.35 C ATOM 1277 CG LEU A 82 16.742 12.405 -21.332 1.00 43.54 C ATOM 1278 CD1 LEU A 82 15.334 12.733 -21.810 1.00 32.40 C ATOM 1279 CD2 LEU A 82 16.870 10.916 -21.019 1.00 1.35 C ATOM 0 H LEU A 82 18.853 13.939 -20.435 1.00 11.32 H new ATOM 0 HA LEU A 82 19.386 11.514 -21.805 1.00 11.11 H new ATOM 0 HB2 LEU A 82 17.661 13.905 -22.571 1.00 64.35 H new ATOM 0 HB3 LEU A 82 17.576 12.320 -23.313 1.00 64.35 H new ATOM 0 HG LEU A 82 16.932 12.961 -20.414 1.00 43.54 H new ATOM 0 HD11 LEU A 82 14.612 12.418 -21.057 1.00 32.40 H new ATOM 0 HD12 LEU A 82 15.246 13.807 -21.971 1.00 32.40 H new ATOM 0 HD13 LEU A 82 15.136 12.208 -22.745 1.00 32.40 H new ATOM 0 HD21 LEU A 82 16.122 10.634 -20.278 1.00 1.35 H new ATOM 0 HD22 LEU A 82 16.714 10.338 -21.930 1.00 1.35 H new ATOM 0 HD23 LEU A 82 17.866 10.711 -20.626 1.00 1.35 H new ATOM 1291 N GLN A 83 20.370 14.293 -23.315 1.00 45.33 N ATOM 1292 CA GLN A 83 21.280 14.818 -24.338 1.00 34.53 C ATOM 1293 C GLN A 83 22.711 14.305 -24.115 1.00 70.23 C ATOM 1294 O GLN A 83 23.349 13.804 -25.036 1.00 2.01 O ATOM 1295 CB GLN A 83 21.260 16.352 -24.328 1.00 11.44 C ATOM 1296 CG GLN A 83 19.893 16.945 -24.651 1.00 3.20 C ATOM 1297 CD GLN A 83 19.853 18.463 -24.546 1.00 61.50 C ATOM 1298 OE1 GLN A 83 19.110 19.121 -25.260 1.00 24.23 O ATOM 1299 NE2 GLN A 83 20.638 19.032 -23.650 1.00 33.04 N ATOM 0 H GLN A 83 19.906 15.011 -22.759 1.00 45.33 H new ATOM 0 HA GLN A 83 20.939 14.465 -25.311 1.00 34.53 H new ATOM 0 HB2 GLN A 83 21.578 16.705 -23.347 1.00 11.44 H new ATOM 0 HB3 GLN A 83 21.987 16.722 -25.051 1.00 11.44 H new ATOM 0 HG2 GLN A 83 19.607 16.650 -25.661 1.00 3.20 H new ATOM 0 HG3 GLN A 83 19.152 16.522 -23.973 1.00 3.20 H new ATOM 0 HE21 GLN A 83 21.248 18.458 -23.068 1.00 33.04 H new ATOM 0 HE22 GLN A 83 20.635 20.046 -23.540 1.00 33.04 H new ATOM 1308 N ASP A 84 23.193 14.420 -22.879 1.00 13.00 N ATOM 1309 CA ASP A 84 24.515 13.911 -22.493 1.00 54.22 C ATOM 1310 C ASP A 84 24.658 12.409 -22.810 1.00 73.53 C ATOM 1311 O ASP A 84 25.712 11.948 -23.263 1.00 42.41 O ATOM 1312 CB ASP A 84 24.732 14.164 -20.993 1.00 13.11 C ATOM 1313 CG ASP A 84 25.992 13.512 -20.452 1.00 44.42 C ATOM 1314 OD1 ASP A 84 27.079 14.114 -20.557 1.00 52.00 O ATOM 1315 OD2 ASP A 84 25.902 12.382 -19.921 1.00 63.34 O ATOM 0 H ASP A 84 22.683 14.866 -22.117 1.00 13.00 H new ATOM 0 HA ASP A 84 25.274 14.438 -23.071 1.00 54.22 H new ATOM 0 HB2 ASP A 84 24.782 15.238 -20.816 1.00 13.11 H new ATOM 0 HB3 ASP A 84 23.871 13.790 -20.440 1.00 13.11 H new ATOM 1320 N ALA A 85 23.585 11.657 -22.571 1.00 3.40 N ATOM 1321 CA ALA A 85 23.582 10.206 -22.791 1.00 14.05 C ATOM 1322 C ALA A 85 23.738 9.840 -24.278 1.00 64.45 C ATOM 1323 O ALA A 85 24.587 9.018 -24.637 1.00 64.12 O ATOM 1324 CB ALA A 85 22.307 9.597 -22.223 1.00 62.22 C ATOM 0 H ALA A 85 22.701 12.028 -22.223 1.00 3.40 H new ATOM 0 HA ALA A 85 24.445 9.793 -22.270 1.00 14.05 H new ATOM 0 HB1 ALA A 85 22.312 8.520 -22.390 1.00 62.22 H new ATOM 0 HB2 ALA A 85 22.253 9.798 -21.153 1.00 62.22 H new ATOM 0 HB3 ALA A 85 21.442 10.037 -22.719 1.00 62.22 H new ATOM 1330 N LYS A 86 22.921 10.447 -25.142 1.00 14.03 N ATOM 1331 CA LYS A 86 23.001 10.183 -26.586 1.00 72.32 C ATOM 1332 C LYS A 86 24.250 10.833 -27.206 1.00 5.44 C ATOM 1333 O LYS A 86 24.827 10.302 -28.153 1.00 31.33 O ATOM 1334 CB LYS A 86 21.728 10.666 -27.307 1.00 53.24 C ATOM 1335 CG LYS A 86 21.475 12.170 -27.207 1.00 73.41 C ATOM 1336 CD LYS A 86 20.147 12.570 -27.851 1.00 75.12 C ATOM 1337 CE LYS A 86 20.135 12.326 -29.359 1.00 52.35 C ATOM 1338 NZ LYS A 86 21.126 13.172 -30.075 1.00 50.22 N ATOM 0 H LYS A 86 22.202 11.119 -24.873 1.00 14.03 H new ATOM 0 HA LYS A 86 23.082 9.104 -26.717 1.00 72.32 H new ATOM 0 HB2 LYS A 86 21.795 10.391 -28.360 1.00 53.24 H new ATOM 0 HB3 LYS A 86 20.869 10.138 -26.894 1.00 53.24 H new ATOM 0 HG2 LYS A 86 21.474 12.469 -26.159 1.00 73.41 H new ATOM 0 HG3 LYS A 86 22.290 12.708 -27.691 1.00 73.41 H new ATOM 0 HD2 LYS A 86 19.337 12.006 -27.388 1.00 75.12 H new ATOM 0 HD3 LYS A 86 19.954 13.625 -27.655 1.00 75.12 H new ATOM 0 HE2 LYS A 86 20.347 11.275 -29.557 1.00 52.35 H new ATOM 0 HE3 LYS A 86 19.138 12.529 -29.750 1.00 52.35 H new ATOM 0 HZ1 LYS A 86 20.821 13.305 -31.060 1.00 50.22 H new ATOM 0 HZ2 LYS A 86 21.196 14.098 -29.606 1.00 50.22 H new ATOM 0 HZ3 LYS A 86 22.055 12.706 -30.060 1.00 50.22 H new ATOM 1352 N LEU A 87 24.677 11.966 -26.642 1.00 43.24 N ATOM 1353 CA LEU A 87 25.869 12.685 -27.120 1.00 52.52 C ATOM 1354 C LEU A 87 27.100 11.766 -27.151 1.00 50.23 C ATOM 1355 O LEU A 87 27.757 11.619 -28.184 1.00 61.12 O ATOM 1356 CB LEU A 87 26.150 13.901 -26.220 1.00 14.03 C ATOM 1357 CG LEU A 87 27.377 14.749 -26.602 1.00 50.54 C ATOM 1358 CD1 LEU A 87 27.197 15.382 -27.979 1.00 13.11 C ATOM 1359 CD2 LEU A 87 27.643 15.817 -25.543 1.00 30.25 C ATOM 0 H LEU A 87 24.214 12.410 -25.849 1.00 43.24 H new ATOM 0 HA LEU A 87 25.670 13.024 -28.137 1.00 52.52 H new ATOM 0 HB2 LEU A 87 25.271 14.545 -26.227 1.00 14.03 H new ATOM 0 HB3 LEU A 87 26.280 13.549 -25.196 1.00 14.03 H new ATOM 0 HG LEU A 87 28.244 14.090 -26.648 1.00 50.54 H new ATOM 0 HD11 LEU A 87 28.078 15.976 -28.225 1.00 13.11 H new ATOM 0 HD12 LEU A 87 27.068 14.598 -28.726 1.00 13.11 H new ATOM 0 HD13 LEU A 87 26.317 16.025 -27.972 1.00 13.11 H new ATOM 0 HD21 LEU A 87 28.514 16.406 -25.831 1.00 30.25 H new ATOM 0 HD22 LEU A 87 26.775 16.470 -25.459 1.00 30.25 H new ATOM 0 HD23 LEU A 87 27.831 15.338 -24.582 1.00 30.25 H new ATOM 1371 N LYS A 88 27.400 11.135 -26.016 1.00 44.21 N ATOM 1372 CA LYS A 88 28.542 10.223 -25.935 1.00 44.22 C ATOM 1373 C LYS A 88 28.322 8.983 -26.819 1.00 72.34 C ATOM 1374 O LYS A 88 29.259 8.475 -27.428 1.00 52.35 O ATOM 1375 CB LYS A 88 28.819 9.833 -24.469 1.00 15.42 C ATOM 1376 CG LYS A 88 27.736 8.980 -23.795 1.00 31.02 C ATOM 1377 CD LYS A 88 28.017 7.480 -23.921 1.00 70.55 C ATOM 1378 CE LYS A 88 27.016 6.636 -23.139 1.00 22.34 C ATOM 1379 NZ LYS A 88 25.632 6.757 -23.674 1.00 22.12 N ATOM 0 H LYS A 88 26.875 11.236 -25.148 1.00 44.21 H new ATOM 0 HA LYS A 88 29.423 10.739 -26.315 1.00 44.22 H new ATOM 0 HB2 LYS A 88 29.763 9.289 -24.428 1.00 15.42 H new ATOM 0 HB3 LYS A 88 28.952 10.745 -23.888 1.00 15.42 H new ATOM 0 HG2 LYS A 88 27.669 9.248 -22.741 1.00 31.02 H new ATOM 0 HG3 LYS A 88 26.768 9.205 -24.243 1.00 31.02 H new ATOM 0 HD2 LYS A 88 27.987 7.194 -24.972 1.00 70.55 H new ATOM 0 HD3 LYS A 88 29.025 7.270 -23.562 1.00 70.55 H new ATOM 0 HE2 LYS A 88 27.324 5.591 -23.169 1.00 22.34 H new ATOM 0 HE3 LYS A 88 27.026 6.941 -22.093 1.00 22.34 H new ATOM 0 HZ1 LYS A 88 24.963 6.321 -23.008 1.00 22.12 H new ATOM 0 HZ2 LYS A 88 25.394 7.762 -23.796 1.00 22.12 H new ATOM 0 HZ3 LYS A 88 25.571 6.272 -24.592 1.00 22.12 H new ATOM 1393 N ALA A 89 27.072 8.526 -26.914 1.00 51.14 N ATOM 1394 CA ALA A 89 26.733 7.350 -27.729 1.00 10.43 C ATOM 1395 C ALA A 89 27.042 7.588 -29.217 1.00 61.52 C ATOM 1396 O ALA A 89 27.628 6.735 -29.886 1.00 62.12 O ATOM 1397 CB ALA A 89 25.263 6.985 -27.540 1.00 0.31 C ATOM 0 H ALA A 89 26.276 8.950 -26.438 1.00 51.14 H new ATOM 0 HA ALA A 89 27.351 6.518 -27.393 1.00 10.43 H new ATOM 0 HB1 ALA A 89 25.024 6.113 -28.148 1.00 0.31 H new ATOM 0 HB2 ALA A 89 25.077 6.758 -26.490 1.00 0.31 H new ATOM 0 HB3 ALA A 89 24.638 7.824 -27.846 1.00 0.31 H new ATOM 1403 N GLU A 90 26.652 8.760 -29.718 1.00 13.33 N ATOM 1404 CA GLU A 90 26.931 9.152 -31.105 1.00 24.21 C ATOM 1405 C GLU A 90 28.428 9.440 -31.316 1.00 15.22 C ATOM 1406 O GLU A 90 28.916 9.457 -32.450 1.00 14.12 O ATOM 1407 CB GLU A 90 26.098 10.394 -31.475 1.00 14.14 C ATOM 1408 CG GLU A 90 24.588 10.178 -31.368 1.00 15.42 C ATOM 1409 CD GLU A 90 23.779 11.442 -31.635 1.00 60.32 C ATOM 1410 OE1 GLU A 90 23.540 12.216 -30.684 1.00 50.10 O ATOM 1411 OE2 GLU A 90 23.371 11.669 -32.795 1.00 51.25 O ATOM 0 H GLU A 90 26.139 9.460 -29.183 1.00 13.33 H new ATOM 0 HA GLU A 90 26.654 8.321 -31.754 1.00 24.21 H new ATOM 0 HB2 GLU A 90 26.385 11.220 -30.824 1.00 14.14 H new ATOM 0 HB3 GLU A 90 26.342 10.693 -32.494 1.00 14.14 H new ATOM 0 HG2 GLU A 90 24.287 9.406 -32.076 1.00 15.42 H new ATOM 0 HG3 GLU A 90 24.351 9.806 -30.371 1.00 15.42 H new ATOM 1418 N GLY A 91 29.147 9.673 -30.217 1.00 55.55 N ATOM 1419 CA GLY A 91 30.580 9.953 -30.289 1.00 32.31 C ATOM 1420 C GLY A 91 31.464 8.725 -30.062 1.00 43.22 C ATOM 1421 O GLY A 91 32.660 8.757 -30.358 1.00 64.23 O ATOM 0 H GLY A 91 28.763 9.673 -29.272 1.00 55.55 H new ATOM 0 HA2 GLY A 91 30.809 10.377 -31.267 1.00 32.31 H new ATOM 0 HA3 GLY A 91 30.830 10.711 -29.546 1.00 32.31 H new ATOM 1425 N LEU A 92 30.888 7.647 -29.527 1.00 25.11 N ATOM 1426 CA LEU A 92 31.638 6.407 -29.278 1.00 71.32 C ATOM 1427 C LEU A 92 32.199 5.807 -30.576 1.00 51.13 C ATOM 1428 O LEU A 92 33.396 5.913 -30.854 1.00 25.31 O ATOM 1429 CB LEU A 92 30.754 5.374 -28.554 1.00 10.35 C ATOM 1430 CG LEU A 92 30.463 5.680 -27.073 1.00 31.23 C ATOM 1431 CD1 LEU A 92 29.460 4.683 -26.497 1.00 25.23 C ATOM 1432 CD2 LEU A 92 31.759 5.672 -26.262 1.00 33.40 C ATOM 0 H LEU A 92 29.905 7.604 -29.257 1.00 25.11 H new ATOM 0 HA LEU A 92 32.483 6.663 -28.638 1.00 71.32 H new ATOM 0 HB2 LEU A 92 29.805 5.296 -29.085 1.00 10.35 H new ATOM 0 HB3 LEU A 92 31.236 4.399 -28.619 1.00 10.35 H new ATOM 0 HG LEU A 92 30.022 6.675 -27.010 1.00 31.23 H new ATOM 0 HD11 LEU A 92 29.271 4.920 -25.450 1.00 25.23 H new ATOM 0 HD12 LEU A 92 28.526 4.742 -27.056 1.00 25.23 H new ATOM 0 HD13 LEU A 92 29.865 3.674 -26.573 1.00 25.23 H new ATOM 0 HD21 LEU A 92 31.536 5.890 -25.218 1.00 33.40 H new ATOM 0 HD22 LEU A 92 32.228 4.691 -26.336 1.00 33.40 H new ATOM 0 HD23 LEU A 92 32.438 6.429 -26.654 1.00 33.40 H new