USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 83 ASN : amide:sc= 0 X(o=0,f=0.013) USER MOD Set 1.2: A 89 THR OG1 : rot -160:sc= 0 USER MOD Set 2.1: A 61 ASN : amide:sc= -1.53 K(o=-0.29,f=-6.6!) USER MOD Set 2.2: A 63 SER OG : rot 100:sc= 1.24 USER MOD Single : A 4 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.08) USER MOD Single : A 5 ASN : amide:sc= -0.755 X(o=-0.75,f=-0.65) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0247 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.0133) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.0874 F(o=-1.3,f=-0.087) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 171:sc= -0.909 (180deg=-1.06) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0334 X(o=-0.033,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.61) USER MOD Single : A 82 MET CE :methyl -127:sc= -0.0196 (180deg=-2.24!) USER MOD Single : A 85 ASN : amide:sc= -0.0295 X(o=-0.03,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 161:sc= -0.27 (180deg=-0.697) USER MOD Single : A 90 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.108) USER MOD Single : A 91 SER OG : rot 117:sc= -1.3 USER MOD Single : A 92 ASN : amide:sc= -3.18 X(o=-3.2,f=-2.8!) USER MOD Single : A 93 TYR OH : rot 115:sc= -0.558 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.804! F(o=-1.6,f=-0.8!) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 3 10.687 -3.690 2.892 1.00 64.14 N ATOM 19 CA ALA A 3 10.110 -5.006 2.649 1.00 2.14 C ATOM 20 C ALA A 3 9.611 -5.636 3.945 1.00 3.52 C ATOM 21 O ALA A 3 10.138 -6.654 4.392 1.00 50.35 O ATOM 22 CB ALA A 3 11.128 -5.914 1.976 1.00 14.20 C ATOM 0 HA ALA A 3 9.255 -4.882 1.984 1.00 2.14 H new ATOM 0 HB1 ALA A 3 10.682 -6.893 1.801 1.00 14.20 H new ATOM 0 HB2 ALA A 3 11.431 -5.478 1.024 1.00 14.20 H new ATOM 0 HB3 ALA A 3 12.001 -6.022 2.620 1.00 14.20 H new ATOM 28 N GLN A 4 8.594 -5.023 4.543 1.00 62.13 N ATOM 29 CA GLN A 4 8.028 -5.524 5.789 1.00 22.33 C ATOM 30 C GLN A 4 6.848 -6.454 5.516 1.00 55.51 C ATOM 31 O GLN A 4 5.973 -6.141 4.712 1.00 73.43 O ATOM 32 CB GLN A 4 7.581 -4.361 6.675 1.00 22.43 C ATOM 33 CG GLN A 4 8.107 -4.443 8.099 1.00 22.35 C ATOM 34 CD GLN A 4 7.591 -3.319 8.978 1.00 43.31 C ATOM 35 OE1 GLN A 4 8.246 -2.287 9.133 1.00 45.11 O ATOM 36 NE2 GLN A 4 6.413 -3.514 9.557 1.00 44.33 N ATOM 0 H GLN A 4 8.146 -4.180 4.185 1.00 62.13 H new ATOM 0 HA GLN A 4 8.801 -6.090 6.308 1.00 22.33 H new ATOM 0 HB2 GLN A 4 7.914 -3.425 6.227 1.00 22.43 H new ATOM 0 HB3 GLN A 4 6.492 -4.332 6.700 1.00 22.43 H new ATOM 0 HG2 GLN A 4 7.820 -5.400 8.534 1.00 22.35 H new ATOM 0 HG3 GLN A 4 9.197 -4.415 8.082 1.00 22.35 H new ATOM 0 HE21 GLN A 4 5.906 -4.385 9.400 1.00 44.33 H new ATOM 0 HE22 GLN A 4 6.015 -2.793 10.159 1.00 44.33 H new ATOM 43 N ASN A 5 6.834 -7.597 6.193 1.00 33.13 N ATOM 44 CA ASN A 5 5.763 -8.572 6.022 1.00 12.22 C ATOM 45 C ASN A 5 4.589 -8.258 6.945 1.00 40.11 C ATOM 46 O ASN A 5 4.742 -8.210 8.166 1.00 30.11 O ATOM 47 CB ASN A 5 6.281 -9.985 6.302 1.00 75.51 C ATOM 48 CG ASN A 5 7.086 -10.062 7.585 1.00 71.31 C ATOM 49 OD1 ASN A 5 8.306 -9.887 7.577 1.00 64.12 O ATOM 50 ND2 ASN A 5 6.407 -10.325 8.694 1.00 71.34 N ATOM 0 H ASN A 5 7.551 -7.871 6.865 1.00 33.13 H new ATOM 0 HA ASN A 5 5.417 -8.516 4.990 1.00 12.22 H new ATOM 0 HB2 ASN A 5 5.438 -10.673 6.364 1.00 75.51 H new ATOM 0 HB3 ASN A 5 6.900 -10.314 5.467 1.00 75.51 H new ATOM 0 HD21 ASN A 5 6.895 -10.389 9.587 1.00 71.34 H new ATOM 0 HD22 ASN A 5 5.397 -10.463 8.653 1.00 71.34 H new ATOM 56 N ILE A 6 3.419 -8.046 6.353 1.00 34.40 N ATOM 57 CA ILE A 6 2.220 -7.737 7.121 1.00 71.42 C ATOM 58 C ILE A 6 1.091 -8.709 6.792 1.00 34.13 C ATOM 59 O ILE A 6 0.742 -8.902 5.628 1.00 71.41 O ATOM 60 CB ILE A 6 1.736 -6.299 6.859 1.00 41.31 C ATOM 61 CG1 ILE A 6 2.817 -5.292 7.259 1.00 11.52 C ATOM 62 CG2 ILE A 6 0.444 -6.027 7.615 1.00 15.24 C ATOM 63 CD1 ILE A 6 3.189 -5.357 8.724 1.00 74.25 C ATOM 0 H ILE A 6 3.276 -8.083 5.344 1.00 34.40 H new ATOM 0 HA ILE A 6 2.487 -7.835 8.173 1.00 71.42 H new ATOM 0 HB ILE A 6 1.539 -6.187 5.793 1.00 41.31 H new ATOM 0 HG12 ILE A 6 3.709 -5.470 6.658 1.00 11.52 H new ATOM 0 HG13 ILE A 6 2.470 -4.286 7.025 1.00 11.52 H new ATOM 0 HG21 ILE A 6 0.116 -5.006 7.419 1.00 15.24 H new ATOM 0 HG22 ILE A 6 -0.325 -6.725 7.284 1.00 15.24 H new ATOM 0 HG23 ILE A 6 0.614 -6.154 8.684 1.00 15.24 H new ATOM 0 HD11 ILE A 6 3.960 -4.616 8.937 1.00 74.25 H new ATOM 0 HD12 ILE A 6 2.309 -5.150 9.332 1.00 74.25 H new ATOM 0 HD13 ILE A 6 3.567 -6.352 8.960 1.00 74.25 H new ATOM 74 N THR A 7 0.522 -9.319 7.828 1.00 31.43 N ATOM 75 CA THR A 7 -0.567 -10.270 7.650 1.00 32.22 C ATOM 76 C THR A 7 -1.922 -9.576 7.727 1.00 13.14 C ATOM 77 O THR A 7 -2.113 -8.655 8.522 1.00 23.54 O ATOM 78 CB THR A 7 -0.516 -11.387 8.709 1.00 64.15 C ATOM 79 OG1 THR A 7 -0.192 -10.835 9.990 1.00 62.41 O ATOM 80 CG2 THR A 7 0.515 -12.442 8.331 1.00 33.05 C ATOM 0 H THR A 7 0.798 -9.171 8.799 1.00 31.43 H new ATOM 0 HA THR A 7 -0.443 -10.710 6.661 1.00 32.22 H new ATOM 0 HB THR A 7 -1.498 -11.858 8.756 1.00 64.15 H new ATOM 0 HG1 THR A 7 -0.163 -11.552 10.657 1.00 62.41 H new ATOM 0 HG21 THR A 7 0.534 -13.221 9.093 1.00 33.05 H new ATOM 0 HG22 THR A 7 0.250 -12.881 7.369 1.00 33.05 H new ATOM 0 HG23 THR A 7 1.500 -11.980 8.260 1.00 33.05 H new ATOM 88 N ALA A 8 -2.859 -10.023 6.899 1.00 31.24 N ATOM 89 CA ALA A 8 -4.198 -9.446 6.876 1.00 32.42 C ATOM 90 C ALA A 8 -5.255 -10.519 6.638 1.00 11.20 C ATOM 91 O ALA A 8 -4.936 -11.640 6.240 1.00 33.14 O ATOM 92 CB ALA A 8 -4.289 -8.367 5.807 1.00 14.23 C ATOM 0 H ALA A 8 -2.716 -10.783 6.234 1.00 31.24 H new ATOM 0 HA ALA A 8 -4.389 -8.995 7.850 1.00 32.42 H new ATOM 0 HB1 ALA A 8 -5.294 -7.945 5.801 1.00 14.23 H new ATOM 0 HB2 ALA A 8 -3.566 -7.580 6.022 1.00 14.23 H new ATOM 0 HB3 ALA A 8 -4.072 -8.802 4.831 1.00 14.23 H new ATOM 98 N ARG A 9 -6.513 -10.169 6.884 1.00 54.00 N ATOM 99 CA ARG A 9 -7.617 -11.103 6.698 1.00 50.43 C ATOM 100 C ARG A 9 -8.601 -10.582 5.655 1.00 13.54 C ATOM 101 O ARG A 9 -8.768 -9.373 5.496 1.00 2.00 O ATOM 102 CB ARG A 9 -8.339 -11.341 8.025 1.00 23.22 C ATOM 103 CG ARG A 9 -7.818 -12.541 8.797 1.00 21.20 C ATOM 104 CD ARG A 9 -6.582 -12.187 9.609 1.00 14.01 C ATOM 105 NE ARG A 9 -6.484 -12.979 10.832 1.00 62.23 N ATOM 106 CZ ARG A 9 -5.362 -13.116 11.532 1.00 30.25 C ATOM 107 NH1 ARG A 9 -4.250 -12.516 11.131 1.00 21.02 N ATOM 108 NH2 ARG A 9 -5.353 -13.854 12.635 1.00 22.34 N ATOM 0 H ARG A 9 -6.793 -9.245 7.213 1.00 54.00 H new ATOM 0 HA ARG A 9 -7.206 -12.048 6.342 1.00 50.43 H new ATOM 0 HB2 ARG A 9 -8.242 -10.451 8.646 1.00 23.22 H new ATOM 0 HB3 ARG A 9 -9.402 -11.479 7.830 1.00 23.22 H new ATOM 0 HG2 ARG A 9 -8.597 -12.913 9.462 1.00 21.20 H new ATOM 0 HG3 ARG A 9 -7.580 -13.347 8.102 1.00 21.20 H new ATOM 0 HD2 ARG A 9 -5.691 -12.347 9.001 1.00 14.01 H new ATOM 0 HD3 ARG A 9 -6.607 -11.128 9.864 1.00 14.01 H new ATOM 0 HE ARG A 9 -7.322 -13.453 11.168 1.00 62.23 H new ATOM 0 HH11 ARG A 9 -4.254 -11.948 10.284 1.00 21.02 H new ATOM 0 HH12 ARG A 9 -3.390 -12.622 11.670 1.00 21.02 H new ATOM 0 HH21 ARG A 9 -6.207 -14.317 12.946 1.00 22.34 H new ATOM 0 HH22 ARG A 9 -4.492 -13.959 13.172 1.00 22.34 H new ATOM 119 N ILE A 10 -9.250 -11.503 4.950 1.00 15.01 N ATOM 120 CA ILE A 10 -10.218 -11.135 3.923 1.00 42.34 C ATOM 121 C ILE A 10 -11.461 -10.503 4.541 1.00 40.55 C ATOM 122 O ILE A 10 -12.149 -11.126 5.350 1.00 32.03 O ATOM 123 CB ILE A 10 -10.638 -12.356 3.085 1.00 32.30 C ATOM 124 CG1 ILE A 10 -9.437 -12.912 2.317 1.00 45.12 C ATOM 125 CG2 ILE A 10 -11.757 -11.979 2.124 1.00 10.22 C ATOM 126 CD1 ILE A 10 -9.445 -14.421 2.197 1.00 40.22 C ATOM 0 H ILE A 10 -9.124 -12.508 5.071 1.00 15.01 H new ATOM 0 HA ILE A 10 -9.730 -10.409 3.273 1.00 42.34 H new ATOM 0 HB ILE A 10 -11.007 -13.130 3.758 1.00 32.30 H new ATOM 0 HG12 ILE A 10 -9.421 -12.476 1.318 1.00 45.12 H new ATOM 0 HG13 ILE A 10 -8.520 -12.600 2.816 1.00 45.12 H new ATOM 0 HG21 ILE A 10 -12.043 -12.853 1.538 1.00 10.22 H new ATOM 0 HG22 ILE A 10 -12.618 -11.623 2.690 1.00 10.22 H new ATOM 0 HG23 ILE A 10 -11.412 -11.191 1.455 1.00 10.22 H new ATOM 0 HD11 ILE A 10 -8.566 -14.746 1.641 1.00 40.22 H new ATOM 0 HD12 ILE A 10 -9.430 -14.865 3.192 1.00 40.22 H new ATOM 0 HD13 ILE A 10 -10.345 -14.739 1.671 1.00 40.22 H new ATOM 137 N GLY A 11 -11.744 -9.264 4.154 1.00 60.13 N ATOM 138 CA GLY A 11 -12.905 -8.569 4.677 1.00 25.31 C ATOM 139 C GLY A 11 -12.547 -7.590 5.778 1.00 64.44 C ATOM 140 O GLY A 11 -13.396 -6.830 6.240 1.00 33.40 O ATOM 0 H GLY A 11 -11.189 -8.728 3.487 1.00 60.13 H new ATOM 0 HA2 GLY A 11 -13.400 -8.034 3.866 1.00 25.31 H new ATOM 0 HA3 GLY A 11 -13.619 -9.298 5.061 1.00 25.31 H new ATOM 144 N GLU A 12 -11.286 -7.611 6.199 1.00 71.40 N ATOM 145 CA GLU A 12 -10.820 -6.718 7.254 1.00 51.31 C ATOM 146 C GLU A 12 -10.024 -5.555 6.671 1.00 30.53 C ATOM 147 O GLU A 12 -9.245 -5.711 5.730 1.00 23.01 O ATOM 148 CB GLU A 12 -9.958 -7.487 8.258 1.00 22.35 C ATOM 149 CG GLU A 12 -8.498 -7.589 7.854 1.00 11.05 C ATOM 150 CD GLU A 12 -7.653 -6.472 8.437 1.00 74.23 C ATOM 151 OE1 GLU A 12 -7.990 -5.986 9.537 1.00 74.30 O ATOM 152 OE2 GLU A 12 -6.656 -6.085 7.792 1.00 14.35 O ATOM 0 H GLU A 12 -10.570 -8.235 5.827 1.00 71.40 H new ATOM 0 HA GLU A 12 -11.694 -6.316 7.767 1.00 51.31 H new ATOM 0 HB2 GLU A 12 -10.024 -6.998 9.230 1.00 22.35 H new ATOM 0 HB3 GLU A 12 -10.364 -8.491 8.378 1.00 22.35 H new ATOM 0 HG2 GLU A 12 -8.100 -8.550 8.182 1.00 11.05 H new ATOM 0 HG3 GLU A 12 -8.423 -7.567 6.767 1.00 11.05 H new ATOM 157 N PRO A 13 -10.222 -4.358 7.240 1.00 14.05 N ATOM 158 CA PRO A 13 -9.533 -3.142 6.795 1.00 43.13 C ATOM 159 C PRO A 13 -8.046 -3.164 7.129 1.00 44.32 C ATOM 160 O PRO A 13 -7.638 -3.712 8.155 1.00 74.11 O ATOM 161 CB PRO A 13 -10.239 -2.028 7.569 1.00 2.25 C ATOM 162 CG PRO A 13 -10.781 -2.697 8.787 1.00 60.53 C ATOM 163 CD PRO A 13 -11.136 -4.097 8.367 1.00 74.20 C ATOM 0 HA PRO A 13 -9.579 -3.021 5.713 1.00 43.13 H new ATOM 0 HB2 PRO A 13 -9.547 -1.228 7.832 1.00 2.25 H new ATOM 0 HB3 PRO A 13 -11.036 -1.578 6.977 1.00 2.25 H new ATOM 0 HG2 PRO A 13 -10.043 -2.705 9.589 1.00 60.53 H new ATOM 0 HG3 PRO A 13 -11.656 -2.169 9.165 1.00 60.53 H new ATOM 0 HD2 PRO A 13 -10.987 -4.810 9.178 1.00 74.20 H new ATOM 0 HD3 PRO A 13 -12.180 -4.173 8.063 1.00 74.20 H new ATOM 168 N LEU A 14 -7.239 -2.567 6.259 1.00 63.21 N ATOM 169 CA LEU A 14 -5.796 -2.516 6.463 1.00 4.31 C ATOM 170 C LEU A 14 -5.242 -1.143 6.100 1.00 72.24 C ATOM 171 O LEU A 14 -5.694 -0.512 5.145 1.00 2.13 O ATOM 172 CB LEU A 14 -5.106 -3.595 5.626 1.00 5.32 C ATOM 173 CG LEU A 14 -3.630 -3.846 5.940 1.00 73.21 C ATOM 174 CD1 LEU A 14 -3.486 -4.706 7.186 1.00 72.42 C ATOM 175 CD2 LEU A 14 -2.937 -4.501 4.754 1.00 70.54 C ATOM 0 H LEU A 14 -7.560 -2.111 5.405 1.00 63.21 H new ATOM 0 HA LEU A 14 -5.596 -2.699 7.519 1.00 4.31 H new ATOM 0 HB2 LEU A 14 -5.649 -4.531 5.757 1.00 5.32 H new ATOM 0 HB3 LEU A 14 -5.192 -3.321 4.574 1.00 5.32 H new ATOM 0 HG LEU A 14 -3.151 -2.886 6.131 1.00 73.21 H new ATOM 0 HD11 LEU A 14 -2.429 -4.873 7.393 1.00 72.42 H new ATOM 0 HD12 LEU A 14 -3.945 -4.198 8.034 1.00 72.42 H new ATOM 0 HD13 LEU A 14 -3.980 -5.664 7.026 1.00 72.42 H new ATOM 0 HD21 LEU A 14 -1.888 -4.672 4.995 1.00 70.54 H new ATOM 0 HD22 LEU A 14 -3.418 -5.453 4.532 1.00 70.54 H new ATOM 0 HD23 LEU A 14 -3.008 -3.847 3.885 1.00 70.54 H new ATOM 186 N VAL A 15 -4.258 -0.686 6.868 1.00 34.15 N ATOM 187 CA VAL A 15 -3.639 0.612 6.626 1.00 31.33 C ATOM 188 C VAL A 15 -2.137 0.473 6.411 1.00 23.04 C ATOM 189 O VAL A 15 -1.496 -0.411 6.982 1.00 64.45 O ATOM 190 CB VAL A 15 -3.893 1.582 7.795 1.00 1.33 C ATOM 191 CG1 VAL A 15 -3.308 2.952 7.491 1.00 64.54 C ATOM 192 CG2 VAL A 15 -5.381 1.682 8.093 1.00 4.30 C ATOM 0 H VAL A 15 -3.872 -1.195 7.663 1.00 34.15 H new ATOM 0 HA VAL A 15 -4.096 1.017 5.723 1.00 31.33 H new ATOM 0 HB VAL A 15 -3.395 1.190 8.682 1.00 1.33 H new ATOM 0 HG11 VAL A 15 -3.498 3.623 8.329 1.00 64.54 H new ATOM 0 HG12 VAL A 15 -2.233 2.862 7.335 1.00 64.54 H new ATOM 0 HG13 VAL A 15 -3.773 3.355 6.591 1.00 64.54 H new ATOM 0 HG21 VAL A 15 -5.541 2.372 8.922 1.00 4.30 H new ATOM 0 HG22 VAL A 15 -5.905 2.048 7.210 1.00 4.30 H new ATOM 0 HG23 VAL A 15 -5.765 0.698 8.361 1.00 4.30 H new ATOM 202 N LEU A 16 -1.579 1.352 5.587 1.00 40.11 N ATOM 203 CA LEU A 16 -0.150 1.328 5.296 1.00 73.42 C ATOM 204 C LEU A 16 0.461 2.718 5.449 1.00 2.24 C ATOM 205 O LEU A 16 -0.194 3.728 5.190 1.00 23.14 O ATOM 206 CB LEU A 16 0.094 0.806 3.879 1.00 40.31 C ATOM 207 CG LEU A 16 -0.197 -0.678 3.652 1.00 22.44 C ATOM 208 CD1 LEU A 16 -0.726 -0.908 2.244 1.00 5.42 C ATOM 209 CD2 LEU A 16 1.053 -1.511 3.895 1.00 11.13 C ATOM 0 H LEU A 16 -2.094 2.091 5.108 1.00 40.11 H new ATOM 0 HA LEU A 16 0.329 0.659 6.011 1.00 73.42 H new ATOM 0 HB2 LEU A 16 -0.519 1.386 3.189 1.00 40.31 H new ATOM 0 HB3 LEU A 16 1.135 0.996 3.617 1.00 40.31 H new ATOM 0 HG LEU A 16 -0.962 -0.991 4.363 1.00 22.44 H new ATOM 0 HD11 LEU A 16 -0.928 -1.969 2.100 1.00 5.42 H new ATOM 0 HD12 LEU A 16 -1.647 -0.341 2.104 1.00 5.42 H new ATOM 0 HD13 LEU A 16 0.017 -0.578 1.518 1.00 5.42 H new ATOM 0 HD21 LEU A 16 0.826 -2.564 3.729 1.00 11.13 H new ATOM 0 HD22 LEU A 16 1.839 -1.196 3.209 1.00 11.13 H new ATOM 0 HD23 LEU A 16 1.390 -1.370 4.922 1.00 11.13 H new ATOM 220 N LYS A 17 1.719 2.762 5.871 1.00 72.14 N ATOM 221 CA LYS A 17 2.421 4.027 6.055 1.00 13.32 C ATOM 222 C LYS A 17 3.553 4.176 5.044 1.00 21.21 C ATOM 223 O LYS A 17 4.117 3.184 4.579 1.00 12.21 O ATOM 224 CB LYS A 17 2.979 4.122 7.477 1.00 11.42 C ATOM 225 CG LYS A 17 3.462 5.512 7.850 1.00 52.11 C ATOM 226 CD LYS A 17 3.544 5.689 9.357 1.00 14.43 C ATOM 227 CE LYS A 17 2.162 5.732 9.990 1.00 41.41 C ATOM 228 NZ LYS A 17 2.201 6.290 11.370 1.00 41.01 N ATOM 0 H LYS A 17 2.275 1.936 6.092 1.00 72.14 H new ATOM 0 HA LYS A 17 1.707 4.835 5.895 1.00 13.32 H new ATOM 0 HB2 LYS A 17 2.207 3.813 8.182 1.00 11.42 H new ATOM 0 HB3 LYS A 17 3.806 3.419 7.581 1.00 11.42 H new ATOM 0 HG2 LYS A 17 4.443 5.688 7.408 1.00 52.11 H new ATOM 0 HG3 LYS A 17 2.786 6.257 7.432 1.00 52.11 H new ATOM 0 HD2 LYS A 17 4.118 4.870 9.790 1.00 14.43 H new ATOM 0 HD3 LYS A 17 4.080 6.610 9.587 1.00 14.43 H new ATOM 0 HE2 LYS A 17 1.498 6.337 9.372 1.00 41.41 H new ATOM 0 HE3 LYS A 17 1.743 4.726 10.017 1.00 41.41 H new ATOM 0 HZ1 LYS A 17 1.240 6.302 11.767 1.00 41.01 H new ATOM 0 HZ2 LYS A 17 2.814 5.698 11.966 1.00 41.01 H new ATOM 0 HZ3 LYS A 17 2.577 7.259 11.342 1.00 41.01 H new ATOM 238 N CYS A 18 3.881 5.418 4.707 1.00 61.41 N ATOM 239 CA CYS A 18 4.946 5.696 3.751 1.00 0.23 C ATOM 240 C CYS A 18 6.179 6.254 4.457 1.00 4.14 C ATOM 241 O CYS A 18 6.233 7.437 4.794 1.00 52.14 O ATOM 242 CB CYS A 18 4.462 6.687 2.690 1.00 45.24 C ATOM 243 SG CYS A 18 5.543 6.797 1.228 1.00 40.41 S ATOM 0 H CYS A 18 3.424 6.249 5.082 1.00 61.41 H new ATOM 0 HA CYS A 18 5.218 4.758 3.267 1.00 0.23 H new ATOM 0 HB2 CYS A 18 3.461 6.398 2.368 1.00 45.24 H new ATOM 0 HB3 CYS A 18 4.379 7.675 3.142 1.00 45.24 H new ATOM 247 N LYS A 19 7.166 5.394 4.678 1.00 3.21 N ATOM 248 CA LYS A 19 8.399 5.797 5.343 1.00 73.40 C ATOM 249 C LYS A 19 9.077 6.936 4.586 1.00 34.51 C ATOM 250 O LYS A 19 9.397 6.807 3.405 1.00 62.40 O ATOM 251 CB LYS A 19 9.356 4.608 5.458 1.00 73.53 C ATOM 252 CG LYS A 19 8.686 3.336 5.946 1.00 40.43 C ATOM 253 CD LYS A 19 7.977 3.553 7.272 1.00 53.15 C ATOM 254 CE LYS A 19 8.966 3.827 8.395 1.00 63.04 C ATOM 255 NZ LYS A 19 8.282 3.989 9.708 1.00 63.12 N ATOM 0 H LYS A 19 7.136 4.411 4.406 1.00 3.21 H new ATOM 0 HA LYS A 19 8.144 6.147 6.343 1.00 73.40 H new ATOM 0 HB2 LYS A 19 9.808 4.420 4.484 1.00 73.53 H new ATOM 0 HB3 LYS A 19 10.165 4.868 6.141 1.00 73.53 H new ATOM 0 HG2 LYS A 19 7.969 2.993 5.201 1.00 40.43 H new ATOM 0 HG3 LYS A 19 9.433 2.550 6.056 1.00 40.43 H new ATOM 0 HD2 LYS A 19 7.285 4.390 7.183 1.00 53.15 H new ATOM 0 HD3 LYS A 19 7.382 2.673 7.516 1.00 53.15 H new ATOM 0 HE2 LYS A 19 9.682 3.007 8.457 1.00 63.04 H new ATOM 0 HE3 LYS A 19 9.534 4.729 8.167 1.00 63.04 H new ATOM 0 HZ1 LYS A 19 8.989 4.174 10.447 1.00 63.12 H new ATOM 0 HZ2 LYS A 19 7.617 4.787 9.657 1.00 63.12 H new ATOM 0 HZ3 LYS A 19 7.761 3.119 9.938 1.00 63.12 H new ATOM 265 N GLY A 20 9.294 8.053 5.276 1.00 72.13 N ATOM 266 CA GLY A 20 9.933 9.197 4.653 1.00 24.33 C ATOM 267 C GLY A 20 9.106 10.460 4.775 1.00 32.43 C ATOM 268 O GLY A 20 9.645 11.544 5.003 1.00 23.52 O ATOM 0 H GLY A 20 9.038 8.185 6.255 1.00 72.13 H new ATOM 0 HA2 GLY A 20 10.908 9.359 5.112 1.00 24.33 H new ATOM 0 HA3 GLY A 20 10.109 8.982 3.599 1.00 24.33 H new ATOM 272 N ALA A 21 7.793 10.323 4.620 1.00 11.34 N ATOM 273 CA ALA A 21 6.889 11.463 4.716 1.00 35.50 C ATOM 274 C ALA A 21 6.382 11.645 6.142 1.00 71.11 C ATOM 275 O ALA A 21 5.893 10.709 6.776 1.00 73.33 O ATOM 276 CB ALA A 21 5.721 11.293 3.756 1.00 61.52 C ATOM 0 H ALA A 21 7.332 9.434 4.427 1.00 11.34 H new ATOM 0 HA ALA A 21 7.445 12.359 4.440 1.00 35.50 H new ATOM 0 HB1 ALA A 21 5.054 12.151 3.838 1.00 61.52 H new ATOM 0 HB2 ALA A 21 6.096 11.222 2.735 1.00 61.52 H new ATOM 0 HB3 ALA A 21 5.174 10.384 4.006 1.00 61.52 H new ATOM 282 N PRO A 22 6.498 12.876 6.660 1.00 51.43 N ATOM 283 CA PRO A 22 6.057 13.207 8.018 1.00 75.23 C ATOM 284 C PRO A 22 4.538 13.189 8.156 1.00 51.01 C ATOM 285 O PRO A 22 3.834 12.665 7.293 1.00 41.03 O ATOM 286 CB PRO A 22 6.595 14.626 8.230 1.00 72.10 C ATOM 287 CG PRO A 22 6.716 15.193 6.857 1.00 54.50 C ATOM 288 CD PRO A 22 7.072 14.039 5.962 1.00 22.05 C ATOM 0 HA PRO A 22 6.418 12.485 8.750 1.00 75.23 H new ATOM 0 HB2 PRO A 22 5.918 15.219 8.845 1.00 72.10 H new ATOM 0 HB3 PRO A 22 7.559 14.612 8.739 1.00 72.10 H new ATOM 0 HG2 PRO A 22 5.781 15.657 6.543 1.00 54.50 H new ATOM 0 HG3 PRO A 22 7.483 15.966 6.820 1.00 54.50 H new ATOM 0 HD2 PRO A 22 6.648 14.158 4.965 1.00 22.05 H new ATOM 0 HD3 PRO A 22 8.151 13.943 5.841 1.00 22.05 H new ATOM 293 N LYS A 23 4.041 13.766 9.244 1.00 23.33 N ATOM 294 CA LYS A 23 2.605 13.817 9.492 1.00 24.04 C ATOM 295 C LYS A 23 1.857 14.330 8.266 1.00 5.43 C ATOM 296 O LYS A 23 0.874 13.731 7.829 1.00 3.11 O ATOM 297 CB LYS A 23 2.306 14.714 10.697 1.00 40.55 C ATOM 298 CG LYS A 23 2.566 14.042 12.034 1.00 52.01 C ATOM 299 CD LYS A 23 4.032 14.131 12.427 1.00 65.50 C ATOM 300 CE LYS A 23 4.210 14.060 13.936 1.00 42.22 C ATOM 301 NZ LYS A 23 4.079 15.399 14.573 1.00 72.11 N ATOM 0 H LYS A 23 4.610 14.205 9.968 1.00 23.33 H new ATOM 0 HA LYS A 23 2.263 12.804 9.706 1.00 24.04 H new ATOM 0 HB2 LYS A 23 2.915 15.616 10.628 1.00 40.55 H new ATOM 0 HB3 LYS A 23 1.263 15.029 10.655 1.00 40.55 H new ATOM 0 HG2 LYS A 23 1.953 14.511 12.803 1.00 52.01 H new ATOM 0 HG3 LYS A 23 2.265 12.996 11.981 1.00 52.01 H new ATOM 0 HD2 LYS A 23 4.586 13.319 11.956 1.00 65.50 H new ATOM 0 HD3 LYS A 23 4.454 15.064 12.053 1.00 65.50 H new ATOM 0 HE2 LYS A 23 3.467 13.383 14.358 1.00 42.22 H new ATOM 0 HE3 LYS A 23 5.190 13.642 14.167 1.00 42.22 H new ATOM 0 HZ1 LYS A 23 4.207 15.308 15.601 1.00 72.11 H new ATOM 0 HZ2 LYS A 23 4.804 16.038 14.189 1.00 72.11 H new ATOM 0 HZ3 LYS A 23 3.135 15.787 14.374 1.00 72.11 H new ATOM 311 N LYS A 24 2.329 15.442 7.714 1.00 13.25 N ATOM 312 CA LYS A 24 1.709 16.036 6.536 1.00 24.43 C ATOM 313 C LYS A 24 2.580 15.833 5.301 1.00 22.50 C ATOM 314 O LYS A 24 3.802 15.715 5.386 1.00 3.45 O ATOM 315 CB LYS A 24 1.463 17.530 6.760 1.00 30.41 C ATOM 316 CG LYS A 24 2.728 18.369 6.705 1.00 1.11 C ATOM 317 CD LYS A 24 2.951 19.128 8.003 1.00 5.31 C ATOM 318 CE LYS A 24 2.326 20.514 7.952 1.00 45.55 C ATOM 319 NZ LYS A 24 3.017 21.466 8.865 1.00 61.43 N ATOM 0 H LYS A 24 3.141 15.951 8.064 1.00 13.25 H new ATOM 0 HA LYS A 24 0.754 15.538 6.371 1.00 24.43 H new ATOM 0 HB2 LYS A 24 0.764 17.892 6.006 1.00 30.41 H new ATOM 0 HB3 LYS A 24 0.986 17.670 7.730 1.00 30.41 H new ATOM 0 HG2 LYS A 24 3.585 17.725 6.507 1.00 1.11 H new ATOM 0 HG3 LYS A 24 2.662 19.074 5.877 1.00 1.11 H new ATOM 0 HD2 LYS A 24 2.524 18.565 8.833 1.00 5.31 H new ATOM 0 HD3 LYS A 24 4.020 19.217 8.195 1.00 5.31 H new ATOM 0 HE2 LYS A 24 2.368 20.894 6.931 1.00 45.55 H new ATOM 0 HE3 LYS A 24 1.273 20.448 8.225 1.00 45.55 H new ATOM 0 HZ1 LYS A 24 2.562 22.399 8.802 1.00 61.43 H new ATOM 0 HZ2 LYS A 24 2.956 21.116 9.842 1.00 61.43 H new ATOM 0 HZ3 LYS A 24 4.016 21.548 8.589 1.00 61.43 H new ATOM 366 N ARG A 28 5.726 16.497 -3.599 1.00 60.22 N ATOM 367 CA ARG A 28 4.946 15.583 -4.423 1.00 4.42 C ATOM 368 C ARG A 28 5.408 14.142 -4.223 1.00 75.12 C ATOM 369 O ARG A 28 6.607 13.858 -4.228 1.00 40.23 O ATOM 370 CB ARG A 28 5.061 15.965 -5.900 1.00 0.15 C ATOM 371 CG ARG A 28 4.045 17.007 -6.339 1.00 40.13 C ATOM 372 CD ARG A 28 4.438 18.400 -5.872 1.00 1.44 C ATOM 373 NE ARG A 28 3.683 19.442 -6.562 1.00 74.33 N ATOM 374 CZ ARG A 28 3.785 20.735 -6.275 1.00 10.24 C ATOM 375 NH1 ARG A 28 4.604 21.143 -5.316 1.00 23.42 N ATOM 376 NH2 ARG A 28 3.065 21.625 -6.949 1.00 45.40 N ATOM 0 HA ARG A 28 3.903 15.660 -4.116 1.00 4.42 H new ATOM 0 HB2 ARG A 28 6.065 16.345 -6.092 1.00 0.15 H new ATOM 0 HB3 ARG A 28 4.937 15.070 -6.509 1.00 0.15 H new ATOM 0 HG2 ARG A 28 3.959 16.997 -7.426 1.00 40.13 H new ATOM 0 HG3 ARG A 28 3.064 16.751 -5.939 1.00 40.13 H new ATOM 0 HD2 ARG A 28 4.271 18.483 -4.798 1.00 1.44 H new ATOM 0 HD3 ARG A 28 5.504 18.552 -6.042 1.00 1.44 H new ATOM 0 HE ARG A 28 3.042 19.162 -7.305 1.00 74.33 H new ATOM 0 HH11 ARG A 28 5.159 20.463 -4.796 1.00 23.42 H new ATOM 0 HH12 ARG A 28 4.680 22.137 -5.098 1.00 23.42 H new ATOM 0 HH21 ARG A 28 2.433 21.316 -7.688 1.00 45.40 H new ATOM 0 HH22 ARG A 28 3.144 22.618 -6.728 1.00 45.40 H new ATOM 387 N LEU A 29 4.452 13.236 -4.047 1.00 73.31 N ATOM 388 CA LEU A 29 4.762 11.827 -3.846 1.00 5.52 C ATOM 389 C LEU A 29 3.836 10.942 -4.675 1.00 5.35 C ATOM 390 O LEU A 29 2.697 11.312 -4.958 1.00 11.25 O ATOM 391 CB LEU A 29 4.640 11.464 -2.364 1.00 21.14 C ATOM 392 CG LEU A 29 3.391 11.981 -1.647 1.00 54.11 C ATOM 393 CD1 LEU A 29 2.164 11.197 -2.079 1.00 63.54 C ATOM 394 CD2 LEU A 29 3.573 11.904 -0.138 1.00 42.41 C ATOM 0 H LEU A 29 3.455 13.454 -4.040 1.00 73.31 H new ATOM 0 HA LEU A 29 5.788 11.656 -4.173 1.00 5.52 H new ATOM 0 HB2 LEU A 29 4.663 10.378 -2.273 1.00 21.14 H new ATOM 0 HB3 LEU A 29 5.518 11.846 -1.843 1.00 21.14 H new ATOM 0 HG LEU A 29 3.243 13.025 -1.922 1.00 54.11 H new ATOM 0 HD11 LEU A 29 1.286 11.579 -1.558 1.00 63.54 H new ATOM 0 HD12 LEU A 29 2.024 11.305 -3.155 1.00 63.54 H new ATOM 0 HD13 LEU A 29 2.301 10.144 -1.835 1.00 63.54 H new ATOM 0 HD21 LEU A 29 2.675 12.276 0.356 1.00 42.41 H new ATOM 0 HD22 LEU A 29 3.746 10.869 0.155 1.00 42.41 H new ATOM 0 HD23 LEU A 29 4.428 12.513 0.157 1.00 42.41 H new ATOM 405 N GLU A 30 4.332 9.769 -5.058 1.00 73.41 N ATOM 406 CA GLU A 30 3.547 8.832 -5.854 1.00 43.41 C ATOM 407 C GLU A 30 3.411 7.492 -5.137 1.00 21.52 C ATOM 408 O GLU A 30 4.307 7.075 -4.403 1.00 51.53 O ATOM 409 CB GLU A 30 4.196 8.626 -7.224 1.00 32.13 C ATOM 410 CG GLU A 30 3.205 8.264 -8.318 1.00 20.31 C ATOM 411 CD GLU A 30 3.635 8.762 -9.683 1.00 22.20 C ATOM 412 OE1 GLU A 30 3.553 9.984 -9.923 1.00 23.22 O ATOM 413 OE2 GLU A 30 4.054 7.929 -10.515 1.00 2.44 O ATOM 0 H GLU A 30 5.272 9.445 -4.830 1.00 73.41 H new ATOM 0 HA GLU A 30 2.552 9.254 -5.991 1.00 43.41 H new ATOM 0 HB2 GLU A 30 4.722 9.537 -7.509 1.00 32.13 H new ATOM 0 HB3 GLU A 30 4.944 7.837 -7.147 1.00 32.13 H new ATOM 0 HG2 GLU A 30 3.086 7.181 -8.351 1.00 20.31 H new ATOM 0 HG3 GLU A 30 2.230 8.684 -8.073 1.00 20.31 H new ATOM 418 N TRP A 31 2.285 6.823 -5.355 1.00 33.33 N ATOM 419 CA TRP A 31 2.029 5.530 -4.730 1.00 33.10 C ATOM 420 C TRP A 31 1.781 4.457 -5.782 1.00 45.32 C ATOM 421 O TRP A 31 1.114 4.700 -6.787 1.00 72.41 O ATOM 422 CB TRP A 31 0.831 5.625 -3.786 1.00 21.03 C ATOM 423 CG TRP A 31 0.750 4.489 -2.812 1.00 33.03 C ATOM 424 CD1 TRP A 31 0.552 3.171 -3.104 1.00 43.11 C ATOM 425 CD2 TRP A 31 0.865 4.573 -1.387 1.00 23.14 C ATOM 426 NE1 TRP A 31 0.536 2.430 -1.949 1.00 2.43 N ATOM 427 CE2 TRP A 31 0.726 3.266 -0.880 1.00 33.44 C ATOM 428 CE3 TRP A 31 1.072 5.625 -0.490 1.00 42.30 C ATOM 429 CZ2 TRP A 31 0.788 2.985 0.482 1.00 32.34 C ATOM 430 CZ3 TRP A 31 1.132 5.345 0.862 1.00 51.11 C ATOM 431 CH2 TRP A 31 0.993 4.033 1.338 1.00 2.12 C ATOM 0 H TRP A 31 1.534 7.154 -5.960 1.00 33.33 H new ATOM 0 HA TRP A 31 2.912 5.251 -4.156 1.00 33.10 H new ATOM 0 HB2 TRP A 31 0.886 6.564 -3.235 1.00 21.03 H new ATOM 0 HB3 TRP A 31 -0.085 5.655 -4.375 1.00 21.03 H new ATOM 0 HD1 TRP A 31 0.426 2.770 -4.099 1.00 43.11 H new ATOM 0 HE1 TRP A 31 0.404 1.420 -1.895 1.00 2.43 H new ATOM 0 HE3 TRP A 31 1.183 6.638 -0.847 1.00 42.30 H new ATOM 0 HZ2 TRP A 31 0.678 1.976 0.850 1.00 32.34 H new ATOM 0 HZ3 TRP A 31 1.289 6.150 1.564 1.00 51.11 H new ATOM 0 HH2 TRP A 31 1.049 3.846 2.400 1.00 2.12 H new ATOM 441 N LYS A 32 2.321 3.266 -5.545 1.00 41.30 N ATOM 442 CA LYS A 32 2.157 2.152 -6.472 1.00 70.43 C ATOM 443 C LYS A 32 2.097 0.824 -5.723 1.00 21.34 C ATOM 444 O LYS A 32 2.891 0.577 -4.816 1.00 50.52 O ATOM 445 CB LYS A 32 3.305 2.129 -7.483 1.00 73.23 C ATOM 446 CG LYS A 32 3.283 3.295 -8.456 1.00 12.01 C ATOM 447 CD LYS A 32 4.526 3.314 -9.331 1.00 34.35 C ATOM 448 CE LYS A 32 5.686 4.012 -8.636 1.00 72.31 C ATOM 449 NZ LYS A 32 5.644 5.488 -8.834 1.00 10.32 N ATOM 0 H LYS A 32 2.877 3.047 -4.718 1.00 41.30 H new ATOM 0 HA LYS A 32 1.216 2.291 -7.004 1.00 70.43 H new ATOM 0 HB2 LYS A 32 4.252 2.134 -6.944 1.00 73.23 H new ATOM 0 HB3 LYS A 32 3.264 1.196 -8.046 1.00 73.23 H new ATOM 0 HG2 LYS A 32 2.395 3.229 -9.085 1.00 12.01 H new ATOM 0 HG3 LYS A 32 3.212 4.231 -7.902 1.00 12.01 H new ATOM 0 HD2 LYS A 32 4.812 2.292 -9.581 1.00 34.35 H new ATOM 0 HD3 LYS A 32 4.304 3.822 -10.270 1.00 34.35 H new ATOM 0 HE2 LYS A 32 5.659 3.788 -7.570 1.00 72.31 H new ATOM 0 HE3 LYS A 32 6.628 3.621 -9.020 1.00 72.31 H new ATOM 0 HZ1 LYS A 32 6.085 5.960 -8.019 1.00 10.32 H new ATOM 0 HZ2 LYS A 32 6.162 5.737 -9.701 1.00 10.32 H new ATOM 0 HZ3 LYS A 32 4.655 5.799 -8.921 1.00 10.32 H new ATOM 459 N LEU A 33 1.152 -0.025 -6.111 1.00 41.20 N ATOM 460 CA LEU A 33 0.990 -1.329 -5.476 1.00 41.35 C ATOM 461 C LEU A 33 0.658 -2.400 -6.510 1.00 11.32 C ATOM 462 O LEU A 33 -0.143 -2.176 -7.415 1.00 23.44 O ATOM 463 CB LEU A 33 -0.111 -1.270 -4.416 1.00 51.10 C ATOM 464 CG LEU A 33 -1.537 -1.502 -4.914 1.00 63.54 C ATOM 465 CD1 LEU A 33 -1.883 -2.983 -4.870 1.00 70.13 C ATOM 466 CD2 LEU A 33 -2.529 -0.696 -4.090 1.00 15.01 C ATOM 0 H LEU A 33 0.487 0.165 -6.861 1.00 41.20 H new ATOM 0 HA LEU A 33 1.933 -1.591 -4.997 1.00 41.35 H new ATOM 0 HB2 LEU A 33 0.110 -2.013 -3.650 1.00 51.10 H new ATOM 0 HB3 LEU A 33 -0.071 -0.293 -3.934 1.00 51.10 H new ATOM 0 HG LEU A 33 -1.599 -1.165 -5.949 1.00 63.54 H new ATOM 0 HD11 LEU A 33 -2.902 -3.129 -5.228 1.00 70.13 H new ATOM 0 HD12 LEU A 33 -1.192 -3.537 -5.505 1.00 70.13 H new ATOM 0 HD13 LEU A 33 -1.803 -3.345 -3.845 1.00 70.13 H new ATOM 0 HD21 LEU A 33 -3.539 -0.874 -4.460 1.00 15.01 H new ATOM 0 HD22 LEU A 33 -2.466 -1.000 -3.045 1.00 15.01 H new ATOM 0 HD23 LEU A 33 -2.294 0.365 -4.174 1.00 15.01 H new ATOM 477 N ASN A 34 1.280 -3.567 -6.367 1.00 13.34 N ATOM 478 CA ASN A 34 1.050 -4.673 -7.287 1.00 3.22 C ATOM 479 C ASN A 34 0.329 -5.821 -6.588 1.00 51.25 C ATOM 480 O ASN A 34 0.785 -6.321 -5.558 1.00 35.22 O ATOM 481 CB ASN A 34 2.377 -5.167 -7.867 1.00 34.13 C ATOM 482 CG ASN A 34 2.307 -6.613 -8.322 1.00 54.50 C ATOM 483 OD1 ASN A 34 1.280 -6.941 -9.096 1.00 0.33 O flip ATOM 484 ND2 ASN A 34 3.167 -7.424 -7.980 1.00 34.03 N flip ATOM 0 H ASN A 34 1.947 -3.770 -5.622 1.00 13.34 H new ATOM 0 HA ASN A 34 0.419 -4.312 -8.099 1.00 3.22 H new ATOM 0 HB2 ASN A 34 2.659 -4.537 -8.711 1.00 34.13 H new ATOM 0 HB3 ASN A 34 3.160 -5.063 -7.116 1.00 34.13 H new ATOM 0 HD21 ASN A 34 3.939 -7.127 -7.384 1.00 34.03 H new ATOM 0 HD22 ASN A 34 3.107 -8.393 -8.293 1.00 34.03 H new ATOM 490 N THR A 35 -0.800 -6.238 -7.154 1.00 2.04 N ATOM 491 CA THR A 35 -1.584 -7.327 -6.585 1.00 73.53 C ATOM 492 C THR A 35 -2.116 -8.250 -7.676 1.00 15.51 C ATOM 493 O THR A 35 -1.854 -8.043 -8.861 1.00 31.33 O ATOM 494 CB THR A 35 -2.769 -6.794 -5.758 1.00 32.42 C ATOM 495 OG1 THR A 35 -3.552 -5.892 -6.549 1.00 10.41 O ATOM 496 CG2 THR A 35 -2.278 -6.081 -4.505 1.00 70.32 C ATOM 0 H THR A 35 -1.192 -5.837 -8.006 1.00 2.04 H new ATOM 0 HA THR A 35 -0.917 -7.888 -5.931 1.00 73.53 H new ATOM 0 HB THR A 35 -3.384 -7.642 -5.457 1.00 32.42 H new ATOM 0 HG1 THR A 35 -4.304 -5.559 -6.017 1.00 10.41 H new ATOM 0 HG21 THR A 35 -3.133 -5.713 -3.937 1.00 70.32 H new ATOM 0 HG22 THR A 35 -1.706 -6.777 -3.891 1.00 70.32 H new ATOM 0 HG23 THR A 35 -1.643 -5.242 -4.789 1.00 70.32 H new ATOM 504 N GLY A 36 -2.866 -9.270 -7.269 1.00 54.33 N ATOM 505 CA GLY A 36 -3.422 -10.208 -8.225 1.00 2.45 C ATOM 506 C GLY A 36 -2.378 -11.153 -8.786 1.00 51.03 C ATOM 507 O GLY A 36 -1.656 -11.808 -8.035 1.00 12.13 O ATOM 0 H GLY A 36 -3.098 -9.463 -6.295 1.00 54.33 H new ATOM 0 HA2 GLY A 36 -4.211 -10.787 -7.744 1.00 2.45 H new ATOM 0 HA3 GLY A 36 -3.885 -9.656 -9.043 1.00 2.45 H new ATOM 511 N ARG A 37 -2.298 -11.224 -10.110 1.00 62.23 N ATOM 512 CA ARG A 37 -1.336 -12.098 -10.771 1.00 61.12 C ATOM 513 C ARG A 37 -0.279 -11.282 -11.511 1.00 21.00 C ATOM 514 O ARG A 37 0.900 -11.637 -11.520 1.00 50.30 O ATOM 515 CB ARG A 37 -2.052 -13.032 -11.750 1.00 55.15 C ATOM 516 CG ARG A 37 -2.547 -14.320 -11.112 1.00 50.03 C ATOM 517 CD ARG A 37 -3.770 -14.076 -10.243 1.00 14.12 C ATOM 518 NE ARG A 37 -4.908 -13.594 -11.020 1.00 63.40 N ATOM 519 CZ ARG A 37 -6.117 -13.394 -10.508 1.00 54.32 C ATOM 520 NH1 ARG A 37 -6.344 -13.630 -9.223 1.00 74.14 N ATOM 521 NH2 ARG A 37 -7.102 -12.954 -11.281 1.00 75.32 N ATOM 0 H ARG A 37 -2.887 -10.687 -10.746 1.00 62.23 H new ATOM 0 HA ARG A 37 -0.840 -12.695 -10.006 1.00 61.12 H new ATOM 0 HB2 ARG A 37 -2.899 -12.505 -12.188 1.00 55.15 H new ATOM 0 HB3 ARG A 37 -1.373 -13.278 -12.566 1.00 55.15 H new ATOM 0 HG2 ARG A 37 -2.791 -15.043 -11.891 1.00 50.03 H new ATOM 0 HG3 ARG A 37 -1.752 -14.758 -10.508 1.00 50.03 H new ATOM 0 HD2 ARG A 37 -4.044 -15.001 -9.735 1.00 14.12 H new ATOM 0 HD3 ARG A 37 -3.525 -13.348 -9.469 1.00 14.12 H new ATOM 0 HE ARG A 37 -4.767 -13.400 -12.011 1.00 63.40 H new ATOM 0 HH11 ARG A 37 -5.589 -13.966 -8.625 1.00 74.14 H new ATOM 0 HH12 ARG A 37 -7.274 -13.475 -8.833 1.00 74.14 H new ATOM 0 HH21 ARG A 37 -6.931 -12.769 -12.269 1.00 75.32 H new ATOM 0 HH22 ARG A 37 -8.030 -12.801 -10.887 1.00 75.32 H new ATOM 532 N THR A 38 -0.711 -10.189 -12.131 1.00 73.45 N ATOM 533 CA THR A 38 0.196 -9.324 -12.874 1.00 71.34 C ATOM 534 C THR A 38 -0.552 -8.157 -13.508 1.00 31.31 C ATOM 535 O THR A 38 0.012 -7.081 -13.706 1.00 40.32 O ATOM 536 CB THR A 38 0.938 -10.103 -13.977 1.00 2.30 C ATOM 537 OG1 THR A 38 2.114 -9.388 -14.376 1.00 60.43 O ATOM 538 CG2 THR A 38 0.038 -10.321 -15.184 1.00 43.32 C ATOM 0 H THR A 38 -1.684 -9.882 -12.133 1.00 73.45 H new ATOM 0 HA THR A 38 0.923 -8.940 -12.158 1.00 71.34 H new ATOM 0 HB THR A 38 1.223 -11.075 -13.575 1.00 2.30 H new ATOM 0 HG1 THR A 38 2.581 -9.891 -15.076 1.00 60.43 H new ATOM 0 HG21 THR A 38 0.583 -10.873 -15.950 1.00 43.32 H new ATOM 0 HG22 THR A 38 -0.842 -10.890 -14.884 1.00 43.32 H new ATOM 0 HG23 THR A 38 -0.273 -9.356 -15.585 1.00 43.32 H new ATOM 546 N GLU A 39 -1.824 -8.376 -13.822 1.00 22.22 N ATOM 547 CA GLU A 39 -2.649 -7.340 -14.434 1.00 41.31 C ATOM 548 C GLU A 39 -3.575 -6.703 -13.401 1.00 33.00 C ATOM 549 O GLU A 39 -4.700 -6.316 -13.716 1.00 14.21 O ATOM 550 CB GLU A 39 -3.474 -7.927 -15.580 1.00 72.43 C ATOM 551 CG GLU A 39 -2.635 -8.388 -16.761 1.00 42.53 C ATOM 552 CD GLU A 39 -3.328 -9.453 -17.588 1.00 74.42 C ATOM 553 OE1 GLU A 39 -3.519 -10.574 -17.073 1.00 73.55 O ATOM 554 OE2 GLU A 39 -3.679 -9.165 -18.752 1.00 74.40 O ATOM 0 H GLU A 39 -2.306 -9.261 -13.663 1.00 22.22 H new ATOM 0 HA GLU A 39 -1.987 -6.569 -14.829 1.00 41.31 H new ATOM 0 HB2 GLU A 39 -4.052 -8.771 -15.205 1.00 72.43 H new ATOM 0 HB3 GLU A 39 -4.188 -7.178 -15.923 1.00 72.43 H new ATOM 0 HG2 GLU A 39 -2.406 -7.532 -17.396 1.00 42.53 H new ATOM 0 HG3 GLU A 39 -1.684 -8.777 -16.397 1.00 42.53 H new ATOM 559 N ALA A 40 -3.091 -6.595 -12.169 1.00 13.44 N ATOM 560 CA ALA A 40 -3.873 -6.003 -11.091 1.00 13.05 C ATOM 561 C ALA A 40 -3.136 -4.827 -10.460 1.00 54.30 C ATOM 562 O ALA A 40 -3.684 -4.118 -9.617 1.00 31.42 O ATOM 563 CB ALA A 40 -4.198 -7.052 -10.036 1.00 72.24 C ATOM 0 H ALA A 40 -2.161 -6.910 -11.892 1.00 13.44 H new ATOM 0 HA ALA A 40 -4.805 -5.629 -11.515 1.00 13.05 H new ATOM 0 HB1 ALA A 40 -4.782 -6.596 -9.237 1.00 72.24 H new ATOM 0 HB2 ALA A 40 -4.773 -7.859 -10.490 1.00 72.24 H new ATOM 0 HB3 ALA A 40 -3.272 -7.453 -9.624 1.00 72.24 H new ATOM 569 N TRP A 41 -1.889 -4.626 -10.872 1.00 11.20 N ATOM 570 CA TRP A 41 -1.076 -3.536 -10.346 1.00 12.50 C ATOM 571 C TRP A 41 -1.570 -2.190 -10.863 1.00 20.34 C ATOM 572 O TRP A 41 -1.747 -2.002 -12.066 1.00 63.44 O ATOM 573 CB TRP A 41 0.392 -3.736 -10.730 1.00 33.15 C ATOM 574 CG TRP A 41 1.214 -2.489 -10.601 1.00 11.51 C ATOM 575 CD1 TRP A 41 1.939 -2.094 -9.513 1.00 11.42 C ATOM 576 CD2 TRP A 41 1.393 -1.474 -11.595 1.00 42.21 C ATOM 577 NE1 TRP A 41 2.558 -0.895 -9.772 1.00 41.32 N ATOM 578 CE2 TRP A 41 2.240 -0.494 -11.042 1.00 63.52 C ATOM 579 CE3 TRP A 41 0.923 -1.300 -12.899 1.00 43.12 C ATOM 580 CZ2 TRP A 41 2.624 0.642 -11.750 1.00 1.35 C ATOM 581 CZ3 TRP A 41 1.303 -0.172 -13.600 1.00 60.11 C ATOM 582 CH2 TRP A 41 2.148 0.787 -13.024 1.00 74.50 C ATOM 0 H TRP A 41 -1.419 -5.204 -11.569 1.00 11.20 H new ATOM 0 HA TRP A 41 -1.164 -3.542 -9.260 1.00 12.50 H new ATOM 0 HB2 TRP A 41 0.823 -4.514 -10.099 1.00 33.15 H new ATOM 0 HB3 TRP A 41 0.446 -4.094 -11.758 1.00 33.15 H new ATOM 0 HD1 TRP A 41 2.015 -2.643 -8.586 1.00 11.42 H new ATOM 0 HE1 TRP A 41 3.158 -0.386 -9.123 1.00 41.32 H new ATOM 0 HE3 TRP A 41 0.274 -2.035 -13.351 1.00 43.12 H new ATOM 0 HZ2 TRP A 41 3.275 1.382 -11.309 1.00 1.35 H new ATOM 0 HZ3 TRP A 41 0.943 -0.027 -14.608 1.00 60.11 H new ATOM 0 HH2 TRP A 41 2.429 1.658 -13.598 1.00 74.50 H new ATOM 592 N LYS A 42 -1.793 -1.254 -9.946 1.00 22.11 N ATOM 593 CA LYS A 42 -2.265 0.077 -10.310 1.00 21.23 C ATOM 594 C LYS A 42 -1.530 1.151 -9.517 1.00 54.33 C ATOM 595 O LYS A 42 -0.956 0.876 -8.463 1.00 42.53 O ATOM 596 CB LYS A 42 -3.772 0.189 -10.065 1.00 31.31 C ATOM 597 CG LYS A 42 -4.156 0.114 -8.597 1.00 3.10 C ATOM 598 CD LYS A 42 -4.555 -1.297 -8.196 1.00 43.25 C ATOM 599 CE LYS A 42 -4.041 -1.649 -6.809 1.00 52.03 C ATOM 600 NZ LYS A 42 -5.151 -1.985 -5.875 1.00 53.43 N ATOM 0 H LYS A 42 -1.654 -1.393 -8.945 1.00 22.11 H new ATOM 0 HA LYS A 42 -2.062 0.231 -11.370 1.00 21.23 H new ATOM 0 HB2 LYS A 42 -4.130 1.132 -10.478 1.00 31.31 H new ATOM 0 HB3 LYS A 42 -4.280 -0.609 -10.606 1.00 31.31 H new ATOM 0 HG2 LYS A 42 -3.318 0.444 -7.983 1.00 3.10 H new ATOM 0 HG3 LYS A 42 -4.983 0.797 -8.401 1.00 3.10 H new ATOM 0 HD2 LYS A 42 -5.641 -1.389 -8.217 1.00 43.25 H new ATOM 0 HD3 LYS A 42 -4.161 -2.008 -8.922 1.00 43.25 H new ATOM 0 HE2 LYS A 42 -3.357 -2.495 -6.879 1.00 52.03 H new ATOM 0 HE3 LYS A 42 -3.471 -0.810 -6.409 1.00 52.03 H new ATOM 0 HZ1 LYS A 42 -4.757 -2.365 -4.990 1.00 53.43 H new ATOM 0 HZ2 LYS A 42 -5.703 -1.128 -5.669 1.00 53.43 H new ATOM 0 HZ3 LYS A 42 -5.769 -2.698 -6.313 1.00 53.43 H new ATOM 610 N VAL A 43 -1.551 2.378 -10.029 1.00 72.03 N ATOM 611 CA VAL A 43 -0.887 3.495 -9.366 1.00 43.12 C ATOM 612 C VAL A 43 -1.853 4.250 -8.462 1.00 3.15 C ATOM 613 O VAL A 43 -2.876 4.763 -8.918 1.00 11.22 O ATOM 614 CB VAL A 43 -0.285 4.476 -10.390 1.00 31.13 C ATOM 615 CG1 VAL A 43 0.532 5.549 -9.685 1.00 14.13 C ATOM 616 CG2 VAL A 43 0.565 3.730 -11.407 1.00 32.22 C ATOM 0 H VAL A 43 -2.020 2.624 -10.901 1.00 72.03 H new ATOM 0 HA VAL A 43 -0.084 3.073 -8.762 1.00 43.12 H new ATOM 0 HB VAL A 43 -1.101 4.965 -10.922 1.00 31.13 H new ATOM 0 HG11 VAL A 43 0.949 6.233 -10.424 1.00 14.13 H new ATOM 0 HG12 VAL A 43 -0.109 6.103 -9.000 1.00 14.13 H new ATOM 0 HG13 VAL A 43 1.342 5.081 -9.126 1.00 14.13 H new ATOM 0 HG21 VAL A 43 0.982 4.439 -12.122 1.00 32.22 H new ATOM 0 HG22 VAL A 43 1.376 3.213 -10.894 1.00 32.22 H new ATOM 0 HG23 VAL A 43 -0.053 3.003 -11.934 1.00 32.22 H new ATOM 626 N LEU A 44 -1.523 4.315 -7.177 1.00 13.13 N ATOM 627 CA LEU A 44 -2.363 5.009 -6.205 1.00 54.52 C ATOM 628 C LEU A 44 -1.960 6.475 -6.087 1.00 42.41 C ATOM 629 O LEU A 44 -0.783 6.817 -6.201 1.00 53.32 O ATOM 630 CB LEU A 44 -2.262 4.329 -4.838 1.00 34.34 C ATOM 631 CG LEU A 44 -3.362 3.320 -4.509 1.00 20.23 C ATOM 632 CD1 LEU A 44 -3.069 2.622 -3.190 1.00 44.44 C ATOM 633 CD2 LEU A 44 -4.719 4.006 -4.459 1.00 61.43 C ATOM 0 H LEU A 44 -0.680 3.896 -6.783 1.00 13.13 H new ATOM 0 HA LEU A 44 -3.395 4.962 -6.553 1.00 54.52 H new ATOM 0 HB2 LEU A 44 -1.300 3.820 -4.777 1.00 34.34 H new ATOM 0 HB3 LEU A 44 -2.263 5.101 -4.069 1.00 34.34 H new ATOM 0 HG LEU A 44 -3.385 2.569 -5.298 1.00 20.23 H new ATOM 0 HD11 LEU A 44 -3.863 1.907 -2.972 1.00 44.44 H new ATOM 0 HD12 LEU A 44 -2.117 2.096 -3.260 1.00 44.44 H new ATOM 0 HD13 LEU A 44 -3.017 3.361 -2.391 1.00 44.44 H new ATOM 0 HD21 LEU A 44 -5.489 3.272 -4.224 1.00 61.43 H new ATOM 0 HD22 LEU A 44 -4.708 4.779 -3.691 1.00 61.43 H new ATOM 0 HD23 LEU A 44 -4.933 4.459 -5.427 1.00 61.43 H new ATOM 644 N SER A 45 -2.945 7.337 -5.856 1.00 63.25 N ATOM 645 CA SER A 45 -2.694 8.767 -5.724 1.00 55.31 C ATOM 646 C SER A 45 -3.268 9.302 -4.416 1.00 2.40 C ATOM 647 O SER A 45 -4.219 8.754 -3.857 1.00 12.51 O ATOM 648 CB SER A 45 -3.300 9.525 -6.907 1.00 60.31 C ATOM 649 OG SER A 45 -4.647 9.883 -6.648 1.00 14.52 O ATOM 0 H SER A 45 -3.924 7.070 -5.756 1.00 63.25 H new ATOM 0 HA SER A 45 -1.615 8.921 -5.717 1.00 55.31 H new ATOM 0 HB2 SER A 45 -2.714 10.422 -7.107 1.00 60.31 H new ATOM 0 HB3 SER A 45 -3.251 8.906 -7.803 1.00 60.31 H new ATOM 0 HG SER A 45 -5.011 10.368 -7.418 1.00 14.52 H new ATOM 772 N ALA A 56 -8.963 0.864 -2.848 1.00 31.21 N ATOM 773 CA ALA A 56 -8.679 1.574 -1.606 1.00 74.44 C ATOM 774 C ALA A 56 -8.428 3.055 -1.868 1.00 33.44 C ATOM 775 O ALA A 56 -8.380 3.494 -3.016 1.00 64.24 O ATOM 776 CB ALA A 56 -7.483 0.950 -0.903 1.00 53.14 C ATOM 0 HA ALA A 56 -9.552 1.488 -0.958 1.00 74.44 H new ATOM 0 HB1 ALA A 56 -7.282 1.490 0.022 1.00 53.14 H new ATOM 0 HB2 ALA A 56 -7.699 -0.094 -0.675 1.00 53.14 H new ATOM 0 HB3 ALA A 56 -6.609 1.006 -1.552 1.00 53.14 H new ATOM 782 N ARG A 57 -8.269 3.822 -0.793 1.00 63.21 N ATOM 783 CA ARG A 57 -8.024 5.254 -0.906 1.00 31.53 C ATOM 784 C ARG A 57 -6.729 5.643 -0.200 1.00 11.24 C ATOM 785 O ARG A 57 -6.223 4.902 0.643 1.00 23.43 O ATOM 786 CB ARG A 57 -9.197 6.041 -0.317 1.00 3.34 C ATOM 787 CG ARG A 57 -10.116 5.202 0.556 1.00 53.54 C ATOM 788 CD ARG A 57 -9.450 4.834 1.874 1.00 24.13 C ATOM 789 NE ARG A 57 -10.067 5.518 3.007 1.00 53.53 N ATOM 790 CZ ARG A 57 -11.300 5.271 3.433 1.00 45.42 C ATOM 791 NH1 ARG A 57 -12.045 4.359 2.821 1.00 34.33 N ATOM 792 NH2 ARG A 57 -11.791 5.935 4.472 1.00 61.14 N ATOM 0 H ARG A 57 -8.306 3.475 0.165 1.00 63.21 H new ATOM 0 HA ARG A 57 -7.926 5.498 -1.964 1.00 31.53 H new ATOM 0 HB2 ARG A 57 -8.807 6.871 0.273 1.00 3.34 H new ATOM 0 HB3 ARG A 57 -9.778 6.474 -1.131 1.00 3.34 H new ATOM 0 HG2 ARG A 57 -11.036 5.753 0.753 1.00 53.54 H new ATOM 0 HG3 ARG A 57 -10.397 4.294 0.023 1.00 53.54 H new ATOM 0 HD2 ARG A 57 -9.512 3.756 2.023 1.00 24.13 H new ATOM 0 HD3 ARG A 57 -8.391 5.089 1.829 1.00 24.13 H new ATOM 0 HE ARG A 57 -9.520 6.225 3.499 1.00 53.53 H new ATOM 0 HH11 ARG A 57 -11.670 3.847 2.022 1.00 34.33 H new ATOM 0 HH12 ARG A 57 -12.992 4.170 3.149 1.00 34.33 H new ATOM 0 HH21 ARG A 57 -11.221 6.636 4.945 1.00 61.14 H new ATOM 0 HH22 ARG A 57 -12.738 5.744 4.798 1.00 61.14 H new ATOM 803 N VAL A 58 -6.198 6.810 -0.548 1.00 33.51 N ATOM 804 CA VAL A 58 -4.962 7.297 0.053 1.00 34.43 C ATOM 805 C VAL A 58 -5.236 8.449 1.014 1.00 31.43 C ATOM 806 O VAL A 58 -5.930 9.407 0.671 1.00 71.30 O ATOM 807 CB VAL A 58 -3.962 7.767 -1.021 1.00 5.53 C ATOM 808 CG1 VAL A 58 -2.669 8.238 -0.376 1.00 52.33 C ATOM 809 CG2 VAL A 58 -3.693 6.652 -2.019 1.00 45.23 C ATOM 0 H VAL A 58 -6.604 7.436 -1.243 1.00 33.51 H new ATOM 0 HA VAL A 58 -4.527 6.463 0.603 1.00 34.43 H new ATOM 0 HB VAL A 58 -4.400 8.609 -1.558 1.00 5.53 H new ATOM 0 HG11 VAL A 58 -1.975 8.566 -1.150 1.00 52.33 H new ATOM 0 HG12 VAL A 58 -2.880 9.068 0.298 1.00 52.33 H new ATOM 0 HG13 VAL A 58 -2.223 7.418 0.187 1.00 52.33 H new ATOM 0 HG21 VAL A 58 -2.985 7.000 -2.771 1.00 45.23 H new ATOM 0 HG22 VAL A 58 -3.275 5.790 -1.498 1.00 45.23 H new ATOM 0 HG23 VAL A 58 -4.626 6.365 -2.504 1.00 45.23 H new ATOM 819 N LEU A 59 -4.686 8.350 2.219 1.00 52.13 N ATOM 820 CA LEU A 59 -4.870 9.384 3.231 1.00 22.34 C ATOM 821 C LEU A 59 -4.145 10.667 2.837 1.00 54.34 C ATOM 822 O LEU A 59 -3.206 10.659 2.042 1.00 54.20 O ATOM 823 CB LEU A 59 -4.363 8.895 4.588 1.00 44.51 C ATOM 824 CG LEU A 59 -5.270 7.912 5.329 1.00 50.45 C ATOM 825 CD1 LEU A 59 -4.519 7.252 6.476 1.00 71.53 C ATOM 826 CD2 LEU A 59 -6.515 8.620 5.843 1.00 54.24 C ATOM 0 H LEU A 59 -4.109 7.564 2.519 1.00 52.13 H new ATOM 0 HA LEU A 59 -5.936 9.598 3.305 1.00 22.34 H new ATOM 0 HB2 LEU A 59 -3.392 8.423 4.442 1.00 44.51 H new ATOM 0 HB3 LEU A 59 -4.202 9.763 5.228 1.00 44.51 H new ATOM 0 HG LEU A 59 -5.579 7.135 4.630 1.00 50.45 H new ATOM 0 HD11 LEU A 59 -5.181 6.556 6.991 1.00 71.53 H new ATOM 0 HD12 LEU A 59 -3.658 6.711 6.084 1.00 71.53 H new ATOM 0 HD13 LEU A 59 -4.180 8.016 7.176 1.00 71.53 H new ATOM 0 HD21 LEU A 59 -7.149 7.906 6.368 1.00 54.24 H new ATOM 0 HD22 LEU A 59 -6.224 9.417 6.527 1.00 54.24 H new ATOM 0 HD23 LEU A 59 -7.065 9.045 5.003 1.00 54.24 H new ATOM 837 N PRO A 60 -4.588 11.798 3.407 1.00 2.25 N ATOM 838 CA PRO A 60 -3.994 13.109 3.134 1.00 72.31 C ATOM 839 C PRO A 60 -2.594 13.245 3.722 1.00 51.15 C ATOM 840 O PRO A 60 -1.802 14.075 3.278 1.00 72.13 O ATOM 841 CB PRO A 60 -4.958 14.086 3.814 1.00 44.53 C ATOM 842 CG PRO A 60 -5.606 13.287 4.892 1.00 72.44 C ATOM 843 CD PRO A 60 -5.704 11.882 4.365 1.00 41.41 C ATOM 0 HA PRO A 60 -3.871 13.286 2.065 1.00 72.31 H new ATOM 0 HB2 PRO A 60 -4.428 14.946 4.223 1.00 44.53 H new ATOM 0 HB3 PRO A 60 -5.695 14.471 3.109 1.00 44.53 H new ATOM 0 HG2 PRO A 60 -5.018 13.320 5.809 1.00 72.44 H new ATOM 0 HG3 PRO A 60 -6.593 13.683 5.132 1.00 72.44 H new ATOM 0 HD2 PRO A 60 -5.605 11.146 5.163 1.00 41.41 H new ATOM 0 HD3 PRO A 60 -6.664 11.700 3.881 1.00 41.41 H new ATOM 848 N ASN A 61 -2.295 12.425 4.724 1.00 5.12 N ATOM 849 CA ASN A 61 -0.991 12.453 5.374 1.00 75.41 C ATOM 850 C ASN A 61 0.032 11.649 4.577 1.00 61.41 C ATOM 851 O ASN A 61 1.193 11.537 4.970 1.00 1.23 O ATOM 852 CB ASN A 61 -1.093 11.901 6.796 1.00 74.11 C ATOM 853 CG ASN A 61 -1.828 10.577 6.851 1.00 53.23 C ATOM 854 OD1 ASN A 61 -1.267 9.529 6.530 1.00 63.20 O ATOM 855 ND2 ASN A 61 -3.091 10.618 7.259 1.00 24.10 N ATOM 0 H ASN A 61 -2.940 11.732 5.104 1.00 5.12 H new ATOM 0 HA ASN A 61 -0.658 13.490 5.418 1.00 75.41 H new ATOM 0 HB2 ASN A 61 -0.091 11.774 7.206 1.00 74.11 H new ATOM 0 HB3 ASN A 61 -1.607 12.625 7.428 1.00 74.11 H new ATOM 0 HD21 ASN A 61 -3.637 9.758 7.316 1.00 24.10 H new ATOM 0 HD22 ASN A 61 -3.515 11.509 7.515 1.00 24.10 H new ATOM 861 N GLY A 62 -0.408 11.092 3.453 1.00 52.21 N ATOM 862 CA GLY A 62 0.481 10.305 2.618 1.00 53.43 C ATOM 863 C GLY A 62 0.453 8.830 2.969 1.00 63.54 C ATOM 864 O GLY A 62 1.426 8.112 2.742 1.00 73.31 O ATOM 0 H GLY A 62 -1.364 11.172 3.106 1.00 52.21 H new ATOM 0 HA2 GLY A 62 0.199 10.432 1.573 1.00 53.43 H new ATOM 0 HA3 GLY A 62 1.499 10.681 2.722 1.00 53.43 H new ATOM 868 N SER A 63 -0.667 8.377 3.524 1.00 74.24 N ATOM 869 CA SER A 63 -0.817 6.980 3.911 1.00 63.20 C ATOM 870 C SER A 63 -1.847 6.280 3.031 1.00 64.05 C ATOM 871 O SER A 63 -2.423 6.886 2.127 1.00 21.52 O ATOM 872 CB SER A 63 -1.231 6.878 5.380 1.00 41.31 C ATOM 873 OG SER A 63 -0.147 7.184 6.239 1.00 53.45 O ATOM 0 H SER A 63 -1.483 8.958 3.715 1.00 74.24 H new ATOM 0 HA SER A 63 0.145 6.486 3.777 1.00 63.20 H new ATOM 0 HB2 SER A 63 -2.058 7.561 5.576 1.00 41.31 H new ATOM 0 HB3 SER A 63 -1.592 5.871 5.590 1.00 41.31 H new ATOM 0 HG SER A 63 -0.228 8.109 6.551 1.00 53.45 H new ATOM 878 N LEU A 64 -2.074 4.998 3.301 1.00 4.02 N ATOM 879 CA LEU A 64 -3.036 4.213 2.534 1.00 50.13 C ATOM 880 C LEU A 64 -3.999 3.476 3.460 1.00 52.23 C ATOM 881 O LEU A 64 -3.578 2.809 4.405 1.00 61.22 O ATOM 882 CB LEU A 64 -2.305 3.212 1.636 1.00 11.44 C ATOM 883 CG LEU A 64 -3.146 2.053 1.102 1.00 63.32 C ATOM 884 CD1 LEU A 64 -4.332 2.576 0.308 1.00 60.32 C ATOM 885 CD2 LEU A 64 -2.295 1.128 0.245 1.00 10.20 C ATOM 0 H LEU A 64 -1.605 4.481 4.045 1.00 4.02 H new ATOM 0 HA LEU A 64 -3.613 4.897 1.911 1.00 50.13 H new ATOM 0 HB2 LEU A 64 -1.887 3.753 0.787 1.00 11.44 H new ATOM 0 HB3 LEU A 64 -1.465 2.798 2.195 1.00 11.44 H new ATOM 0 HG LEU A 64 -3.526 1.483 1.950 1.00 63.32 H new ATOM 0 HD11 LEU A 64 -4.919 1.737 -0.064 1.00 60.32 H new ATOM 0 HD12 LEU A 64 -4.955 3.198 0.951 1.00 60.32 H new ATOM 0 HD13 LEU A 64 -3.974 3.169 -0.533 1.00 60.32 H new ATOM 0 HD21 LEU A 64 -2.910 0.308 -0.127 1.00 10.20 H new ATOM 0 HD22 LEU A 64 -1.886 1.686 -0.597 1.00 10.20 H new ATOM 0 HD23 LEU A 64 -1.478 0.726 0.844 1.00 10.20 H new ATOM 896 N PHE A 65 -5.290 3.600 3.179 1.00 2.33 N ATOM 897 CA PHE A 65 -6.314 2.944 3.986 1.00 71.42 C ATOM 898 C PHE A 65 -7.199 2.051 3.121 1.00 61.05 C ATOM 899 O PHE A 65 -7.660 2.460 2.055 1.00 52.33 O ATOM 900 CB PHE A 65 -7.173 3.988 4.706 1.00 41.54 C ATOM 901 CG PHE A 65 -8.209 3.388 5.612 1.00 30.43 C ATOM 902 CD1 PHE A 65 -7.979 2.177 6.245 1.00 42.22 C ATOM 903 CD2 PHE A 65 -9.414 4.035 5.830 1.00 2.25 C ATOM 904 CE1 PHE A 65 -8.932 1.623 7.077 1.00 30.25 C ATOM 905 CE2 PHE A 65 -10.372 3.487 6.662 1.00 43.01 C ATOM 906 CZ PHE A 65 -10.130 2.280 7.287 1.00 13.54 C ATOM 0 H PHE A 65 -5.654 4.148 2.399 1.00 2.33 H new ATOM 0 HA PHE A 65 -5.813 2.321 4.727 1.00 71.42 H new ATOM 0 HB2 PHE A 65 -6.524 4.640 5.291 1.00 41.54 H new ATOM 0 HB3 PHE A 65 -7.669 4.614 3.964 1.00 41.54 H new ATOM 0 HD1 PHE A 65 -7.044 1.661 6.086 1.00 42.22 H new ATOM 0 HD2 PHE A 65 -9.608 4.980 5.344 1.00 2.25 H new ATOM 0 HE1 PHE A 65 -8.742 0.678 7.563 1.00 30.25 H new ATOM 0 HE2 PHE A 65 -11.308 4.002 6.823 1.00 43.01 H new ATOM 0 HZ PHE A 65 -10.876 1.850 7.939 1.00 13.54 H new ATOM 915 N LEU A 66 -7.429 0.829 3.588 1.00 24.54 N ATOM 916 CA LEU A 66 -8.260 -0.124 2.857 1.00 34.41 C ATOM 917 C LEU A 66 -9.529 -0.451 3.637 1.00 12.51 C ATOM 918 O LEU A 66 -9.488 -0.833 4.806 1.00 52.14 O ATOM 919 CB LEU A 66 -7.473 -1.407 2.581 1.00 20.45 C ATOM 920 CG LEU A 66 -6.366 -1.302 1.532 1.00 61.51 C ATOM 921 CD1 LEU A 66 -5.188 -0.508 2.077 1.00 74.44 C ATOM 922 CD2 LEU A 66 -5.918 -2.687 1.088 1.00 12.04 C ATOM 0 H LEU A 66 -7.053 0.474 4.467 1.00 24.54 H new ATOM 0 HA LEU A 66 -8.546 0.332 1.909 1.00 34.41 H new ATOM 0 HB2 LEU A 66 -7.028 -1.745 3.517 1.00 20.45 H new ATOM 0 HB3 LEU A 66 -8.174 -2.179 2.264 1.00 20.45 H new ATOM 0 HG LEU A 66 -6.763 -0.775 0.664 1.00 61.51 H new ATOM 0 HD11 LEU A 66 -4.410 -0.444 1.317 1.00 74.44 H new ATOM 0 HD12 LEU A 66 -5.518 0.496 2.344 1.00 74.44 H new ATOM 0 HD13 LEU A 66 -4.791 -1.007 2.961 1.00 74.44 H new ATOM 0 HD21 LEU A 66 -5.130 -2.592 0.341 1.00 12.04 H new ATOM 0 HD22 LEU A 66 -5.539 -3.240 1.948 1.00 12.04 H new ATOM 0 HD23 LEU A 66 -6.764 -3.222 0.657 1.00 12.04 H new ATOM 933 N PRO A 67 -10.686 -0.298 2.976 1.00 11.41 N ATOM 934 CA PRO A 67 -11.989 -0.575 3.587 1.00 24.10 C ATOM 935 C PRO A 67 -12.211 -2.064 3.831 1.00 21.33 C ATOM 936 O PRO A 67 -12.879 -2.453 4.789 1.00 12.01 O ATOM 937 CB PRO A 67 -12.985 -0.048 2.550 1.00 24.34 C ATOM 938 CG PRO A 67 -12.254 -0.114 1.255 1.00 33.21 C ATOM 939 CD PRO A 67 -10.810 0.154 1.580 1.00 31.11 C ATOM 0 HA PRO A 67 -12.087 -0.110 4.568 1.00 24.10 H new ATOM 0 HB2 PRO A 67 -13.890 -0.656 2.525 1.00 24.34 H new ATOM 0 HB3 PRO A 67 -13.293 0.972 2.779 1.00 24.34 H new ATOM 0 HG2 PRO A 67 -12.374 -1.092 0.789 1.00 33.21 H new ATOM 0 HG3 PRO A 67 -12.639 0.624 0.551 1.00 33.21 H new ATOM 0 HD2 PRO A 67 -10.140 -0.396 0.919 1.00 31.11 H new ATOM 0 HD3 PRO A 67 -10.564 1.211 1.476 1.00 31.11 H new ATOM 944 N ALA A 68 -11.647 -2.891 2.958 1.00 43.23 N ATOM 945 CA ALA A 68 -11.782 -4.338 3.082 1.00 71.52 C ATOM 946 C ALA A 68 -10.827 -5.061 2.138 1.00 74.43 C ATOM 947 O ALA A 68 -11.080 -5.156 0.936 1.00 74.33 O ATOM 948 CB ALA A 68 -13.217 -4.760 2.807 1.00 22.40 C ATOM 0 H ALA A 68 -11.093 -2.585 2.158 1.00 43.23 H new ATOM 0 HA ALA A 68 -11.522 -4.616 4.104 1.00 71.52 H new ATOM 0 HB1 ALA A 68 -13.303 -5.842 2.903 1.00 22.40 H new ATOM 0 HB2 ALA A 68 -13.882 -4.278 3.524 1.00 22.40 H new ATOM 0 HB3 ALA A 68 -13.496 -4.462 1.796 1.00 22.40 H new ATOM 954 N VAL A 69 -9.728 -5.568 2.687 1.00 14.12 N ATOM 955 CA VAL A 69 -8.735 -6.282 1.894 1.00 15.40 C ATOM 956 C VAL A 69 -9.244 -7.660 1.487 1.00 42.25 C ATOM 957 O VAL A 69 -9.533 -8.502 2.336 1.00 42.34 O ATOM 958 CB VAL A 69 -7.411 -6.443 2.665 1.00 65.32 C ATOM 959 CG1 VAL A 69 -6.781 -5.086 2.934 1.00 75.41 C ATOM 960 CG2 VAL A 69 -7.640 -7.201 3.964 1.00 12.25 C ATOM 0 H VAL A 69 -9.503 -5.497 3.679 1.00 14.12 H new ATOM 0 HA VAL A 69 -8.556 -5.685 1.000 1.00 15.40 H new ATOM 0 HB VAL A 69 -6.721 -7.021 2.050 1.00 65.32 H new ATOM 0 HG11 VAL A 69 -5.847 -5.220 3.479 1.00 75.41 H new ATOM 0 HG12 VAL A 69 -6.580 -4.584 1.988 1.00 75.41 H new ATOM 0 HG13 VAL A 69 -7.464 -4.479 3.528 1.00 75.41 H new ATOM 0 HG21 VAL A 69 -6.694 -7.306 4.496 1.00 12.25 H new ATOM 0 HG22 VAL A 69 -8.347 -6.652 4.586 1.00 12.25 H new ATOM 0 HG23 VAL A 69 -8.043 -8.189 3.742 1.00 12.25 H new ATOM 970 N GLY A 70 -9.352 -7.882 0.180 1.00 41.31 N ATOM 971 CA GLY A 70 -9.826 -9.161 -0.318 1.00 30.54 C ATOM 972 C GLY A 70 -8.693 -10.089 -0.705 1.00 24.03 C ATOM 973 O GLY A 70 -7.562 -9.648 -0.907 1.00 35.42 O ATOM 0 H GLY A 70 -9.120 -7.200 -0.542 1.00 41.31 H new ATOM 0 HA2 GLY A 70 -10.439 -9.640 0.446 1.00 30.54 H new ATOM 0 HA3 GLY A 70 -10.467 -8.995 -1.184 1.00 30.54 H new ATOM 977 N ILE A 71 -8.997 -11.379 -0.806 1.00 55.13 N ATOM 978 CA ILE A 71 -7.993 -12.371 -1.171 1.00 52.15 C ATOM 979 C ILE A 71 -7.291 -11.993 -2.470 1.00 1.13 C ATOM 980 O ILE A 71 -6.100 -12.252 -2.642 1.00 13.14 O ATOM 981 CB ILE A 71 -8.617 -13.772 -1.326 1.00 55.01 C ATOM 982 CG1 ILE A 71 -7.593 -14.852 -0.973 1.00 51.31 C ATOM 983 CG2 ILE A 71 -9.133 -13.967 -2.744 1.00 53.01 C ATOM 984 CD1 ILE A 71 -7.594 -16.022 -1.932 1.00 73.11 C ATOM 0 H ILE A 71 -9.928 -11.761 -0.641 1.00 55.13 H new ATOM 0 HA ILE A 71 -7.264 -12.394 -0.361 1.00 52.15 H new ATOM 0 HB ILE A 71 -9.458 -13.857 -0.638 1.00 55.01 H new ATOM 0 HG12 ILE A 71 -6.598 -14.407 -0.957 1.00 51.31 H new ATOM 0 HG13 ILE A 71 -7.795 -15.218 0.034 1.00 51.31 H new ATOM 0 HG21 ILE A 71 -9.571 -14.961 -2.838 1.00 53.01 H new ATOM 0 HG22 ILE A 71 -9.891 -13.214 -2.962 1.00 53.01 H new ATOM 0 HG23 ILE A 71 -8.308 -13.866 -3.449 1.00 53.01 H new ATOM 0 HD11 ILE A 71 -6.844 -16.749 -1.620 1.00 73.11 H new ATOM 0 HD12 ILE A 71 -8.577 -16.493 -1.931 1.00 73.11 H new ATOM 0 HD13 ILE A 71 -7.362 -15.669 -2.937 1.00 73.11 H new ATOM 995 N GLN A 72 -8.037 -11.377 -3.381 1.00 43.34 N ATOM 996 CA GLN A 72 -7.486 -10.961 -4.666 1.00 51.51 C ATOM 997 C GLN A 72 -6.649 -9.694 -4.515 1.00 3.15 C ATOM 998 O GLN A 72 -5.814 -9.386 -5.365 1.00 32.12 O ATOM 999 CB GLN A 72 -8.611 -10.727 -5.675 1.00 73.45 C ATOM 1000 CG GLN A 72 -9.650 -9.722 -5.207 1.00 15.15 C ATOM 1001 CD GLN A 72 -10.423 -9.102 -6.353 1.00 34.54 C ATOM 1002 OE1 GLN A 72 -11.626 -9.322 -6.496 1.00 23.32 O ATOM 1003 NE2 GLN A 72 -9.734 -8.323 -7.180 1.00 20.31 N ATOM 0 H GLN A 72 -9.024 -11.155 -3.254 1.00 43.34 H new ATOM 0 HA GLN A 72 -6.840 -11.759 -5.032 1.00 51.51 H new ATOM 0 HB2 GLN A 72 -8.179 -10.380 -6.614 1.00 73.45 H new ATOM 0 HB3 GLN A 72 -9.104 -11.677 -5.883 1.00 73.45 H new ATOM 0 HG2 GLN A 72 -10.347 -10.215 -4.529 1.00 15.15 H new ATOM 0 HG3 GLN A 72 -9.156 -8.934 -4.639 1.00 15.15 H new ATOM 0 HE21 GLN A 72 -8.738 -8.168 -7.024 1.00 20.31 H new ATOM 0 HE22 GLN A 72 -10.201 -7.880 -7.971 1.00 20.31 H new ATOM 1010 N ASP A 73 -6.881 -8.965 -3.428 1.00 64.42 N ATOM 1011 CA ASP A 73 -6.148 -7.733 -3.166 1.00 31.13 C ATOM 1012 C ASP A 73 -4.725 -8.032 -2.706 1.00 50.42 C ATOM 1013 O ASP A 73 -3.930 -7.121 -2.485 1.00 31.10 O ATOM 1014 CB ASP A 73 -6.874 -6.898 -2.109 1.00 4.53 C ATOM 1015 CG ASP A 73 -7.515 -5.654 -2.691 1.00 60.14 C ATOM 1016 OD1 ASP A 73 -6.773 -4.707 -3.027 1.00 11.13 O ATOM 1017 OD2 ASP A 73 -8.758 -5.629 -2.813 1.00 33.33 O ATOM 0 H ASP A 73 -7.570 -9.206 -2.716 1.00 64.42 H new ATOM 0 HA ASP A 73 -6.097 -7.166 -4.095 1.00 31.13 H new ATOM 0 HB2 ASP A 73 -7.641 -7.509 -1.632 1.00 4.53 H new ATOM 0 HB3 ASP A 73 -6.167 -6.609 -1.331 1.00 4.53 H new ATOM 1021 N GLU A 74 -4.414 -9.318 -2.564 1.00 11.25 N ATOM 1022 CA GLU A 74 -3.087 -9.737 -2.127 1.00 5.43 C ATOM 1023 C GLU A 74 -2.012 -9.213 -3.074 1.00 32.21 C ATOM 1024 O GLU A 74 -2.205 -9.172 -4.288 1.00 60.51 O ATOM 1025 CB GLU A 74 -3.011 -11.263 -2.047 1.00 23.43 C ATOM 1026 CG GLU A 74 -3.387 -11.960 -3.345 1.00 1.05 C ATOM 1027 CD GLU A 74 -2.175 -12.362 -4.163 1.00 31.30 C ATOM 1028 OE1 GLU A 74 -1.325 -13.111 -3.637 1.00 0.41 O ATOM 1029 OE2 GLU A 74 -2.078 -11.928 -5.329 1.00 24.03 O ATOM 0 H GLU A 74 -5.061 -10.085 -2.745 1.00 11.25 H new ATOM 0 HA GLU A 74 -2.910 -9.319 -1.136 1.00 5.43 H new ATOM 0 HB2 GLU A 74 -1.998 -11.554 -1.768 1.00 23.43 H new ATOM 0 HB3 GLU A 74 -3.672 -11.610 -1.253 1.00 23.43 H new ATOM 0 HG2 GLU A 74 -3.979 -12.847 -3.119 1.00 1.05 H new ATOM 0 HG3 GLU A 74 -4.018 -11.299 -3.939 1.00 1.05 H new ATOM 1034 N GLY A 75 -0.877 -8.812 -2.508 1.00 12.05 N ATOM 1035 CA GLY A 75 0.211 -8.295 -3.316 1.00 73.04 C ATOM 1036 C GLY A 75 1.231 -7.532 -2.493 1.00 34.35 C ATOM 1037 O GLY A 75 1.369 -7.765 -1.293 1.00 42.22 O ATOM 0 H GLY A 75 -0.692 -8.836 -1.505 1.00 12.05 H new ATOM 0 HA2 GLY A 75 0.705 -9.122 -3.827 1.00 73.04 H new ATOM 0 HA3 GLY A 75 -0.193 -7.639 -4.088 1.00 73.04 H new ATOM 1041 N ILE A 76 1.948 -6.618 -3.141 1.00 23.52 N ATOM 1042 CA ILE A 76 2.960 -5.820 -2.463 1.00 12.42 C ATOM 1043 C ILE A 76 2.703 -4.329 -2.653 1.00 12.12 C ATOM 1044 O ILE A 76 2.405 -3.875 -3.758 1.00 54.32 O ATOM 1045 CB ILE A 76 4.375 -6.154 -2.969 1.00 62.31 C ATOM 1046 CG1 ILE A 76 4.404 -7.559 -3.575 1.00 61.11 C ATOM 1047 CG2 ILE A 76 5.385 -6.038 -1.837 1.00 71.54 C ATOM 1048 CD1 ILE A 76 4.294 -8.663 -2.547 1.00 51.20 C ATOM 0 H ILE A 76 1.845 -6.413 -4.135 1.00 23.52 H new ATOM 0 HA ILE A 76 2.896 -6.066 -1.403 1.00 12.42 H new ATOM 0 HB ILE A 76 4.646 -5.438 -3.745 1.00 62.31 H new ATOM 0 HG12 ILE A 76 3.586 -7.655 -4.288 1.00 61.11 H new ATOM 0 HG13 ILE A 76 5.331 -7.686 -4.134 1.00 61.11 H new ATOM 0 HG21 ILE A 76 6.380 -6.277 -2.211 1.00 71.54 H new ATOM 0 HG22 ILE A 76 5.379 -5.020 -1.447 1.00 71.54 H new ATOM 0 HG23 ILE A 76 5.120 -6.733 -1.040 1.00 71.54 H new ATOM 0 HD11 ILE A 76 4.321 -9.631 -3.048 1.00 51.20 H new ATOM 0 HD12 ILE A 76 5.127 -8.593 -1.847 1.00 51.20 H new ATOM 0 HD13 ILE A 76 3.354 -8.562 -2.004 1.00 51.20 H new ATOM 1059 N PHE A 77 2.821 -3.570 -1.567 1.00 32.23 N ATOM 1060 CA PHE A 77 2.602 -2.129 -1.615 1.00 42.23 C ATOM 1061 C PHE A 77 3.929 -1.376 -1.584 1.00 64.03 C ATOM 1062 O PHE A 77 4.758 -1.592 -0.700 1.00 52.25 O ATOM 1063 CB PHE A 77 1.725 -1.686 -0.442 1.00 21.53 C ATOM 1064 CG PHE A 77 0.317 -2.204 -0.518 1.00 54.01 C ATOM 1065 CD1 PHE A 77 0.013 -3.490 -0.103 1.00 2.10 C ATOM 1066 CD2 PHE A 77 -0.703 -1.402 -1.005 1.00 64.31 C ATOM 1067 CE1 PHE A 77 -1.280 -3.969 -0.172 1.00 25.34 C ATOM 1068 CE2 PHE A 77 -2.001 -1.876 -1.077 1.00 13.10 C ATOM 1069 CZ PHE A 77 -2.290 -3.161 -0.660 1.00 55.52 C ATOM 0 H PHE A 77 3.067 -3.929 -0.644 1.00 32.23 H new ATOM 0 HA PHE A 77 2.093 -1.895 -2.550 1.00 42.23 H new ATOM 0 HB2 PHE A 77 2.179 -2.025 0.489 1.00 21.53 H new ATOM 0 HB3 PHE A 77 1.702 -0.597 -0.407 1.00 21.53 H new ATOM 0 HD1 PHE A 77 0.797 -4.126 0.279 1.00 2.10 H new ATOM 0 HD2 PHE A 77 -0.482 -0.397 -1.332 1.00 64.31 H new ATOM 0 HE1 PHE A 77 -1.502 -4.974 0.155 1.00 25.34 H new ATOM 0 HE2 PHE A 77 -2.788 -1.242 -1.459 1.00 13.10 H new ATOM 0 HZ PHE A 77 -3.302 -3.533 -0.715 1.00 55.52 H new ATOM 1078 N ARG A 78 4.123 -0.493 -2.558 1.00 74.14 N ATOM 1079 CA ARG A 78 5.350 0.292 -2.644 1.00 3.01 C ATOM 1080 C ARG A 78 5.038 1.785 -2.690 1.00 12.20 C ATOM 1081 O ARG A 78 4.243 2.239 -3.512 1.00 31.13 O ATOM 1082 CB ARG A 78 6.152 -0.111 -3.883 1.00 25.11 C ATOM 1083 CG ARG A 78 7.500 -0.734 -3.560 1.00 64.42 C ATOM 1084 CD ARG A 78 8.578 0.325 -3.399 1.00 65.05 C ATOM 1085 NE ARG A 78 9.081 0.794 -4.688 1.00 22.43 N ATOM 1086 CZ ARG A 78 8.674 1.917 -5.271 1.00 43.22 C ATOM 1087 NH1 ARG A 78 7.764 2.681 -4.682 1.00 71.13 N ATOM 1088 NH2 ARG A 78 9.178 2.277 -6.444 1.00 41.42 N ATOM 0 H ARG A 78 3.447 -0.303 -3.298 1.00 74.14 H new ATOM 0 HA ARG A 78 5.945 0.090 -1.753 1.00 3.01 H new ATOM 0 HB2 ARG A 78 5.566 -0.818 -4.471 1.00 25.11 H new ATOM 0 HB3 ARG A 78 6.308 0.769 -4.506 1.00 25.11 H new ATOM 0 HG2 ARG A 78 7.422 -1.318 -2.643 1.00 64.42 H new ATOM 0 HG3 ARG A 78 7.783 -1.425 -4.354 1.00 64.42 H new ATOM 0 HD2 ARG A 78 8.176 1.169 -2.838 1.00 65.05 H new ATOM 0 HD3 ARG A 78 9.403 -0.083 -2.815 1.00 65.05 H new ATOM 0 HE ARG A 78 9.783 0.229 -5.166 1.00 22.43 H new ATOM 0 HH11 ARG A 78 7.375 2.407 -3.780 1.00 71.13 H new ATOM 0 HH12 ARG A 78 7.453 3.542 -5.131 1.00 71.13 H new ATOM 0 HH21 ARG A 78 9.878 1.692 -6.899 1.00 41.42 H new ATOM 0 HH22 ARG A 78 8.865 3.139 -6.891 1.00 41.42 H new ATOM 1099 N CYS A 79 5.671 2.544 -1.801 1.00 65.25 N ATOM 1100 CA CYS A 79 5.462 3.985 -1.738 1.00 54.40 C ATOM 1101 C CYS A 79 6.779 4.734 -1.926 1.00 12.42 C ATOM 1102 O CYS A 79 7.846 4.228 -1.579 1.00 4.40 O ATOM 1103 CB CYS A 79 4.828 4.371 -0.400 1.00 21.25 C ATOM 1104 SG CYS A 79 4.403 6.137 -0.262 1.00 23.23 S ATOM 0 H CYS A 79 6.333 2.184 -1.114 1.00 65.25 H new ATOM 0 HA CYS A 79 4.787 4.266 -2.546 1.00 54.40 H new ATOM 0 HB2 CYS A 79 3.925 3.778 -0.253 1.00 21.25 H new ATOM 0 HB3 CYS A 79 5.515 4.109 0.405 1.00 21.25 H new ATOM 1108 N GLN A 80 6.693 5.941 -2.474 1.00 1.15 N ATOM 1109 CA GLN A 80 7.877 6.759 -2.706 1.00 23.03 C ATOM 1110 C GLN A 80 7.602 8.223 -2.374 1.00 1.43 C ATOM 1111 O GLN A 80 6.587 8.782 -2.786 1.00 63.34 O ATOM 1112 CB GLN A 80 8.333 6.632 -4.161 1.00 32.10 C ATOM 1113 CG GLN A 80 9.702 7.239 -4.424 1.00 70.34 C ATOM 1114 CD GLN A 80 10.098 7.174 -5.886 1.00 51.21 C ATOM 1115 OE1 GLN A 80 11.006 6.432 -6.265 1.00 32.25 O ATOM 1116 NE2 GLN A 80 9.415 7.952 -6.719 1.00 73.30 N ATOM 0 H GLN A 80 5.817 6.374 -2.765 1.00 1.15 H new ATOM 0 HA GLN A 80 8.670 6.399 -2.050 1.00 23.03 H new ATOM 0 HB2 GLN A 80 8.353 5.577 -4.436 1.00 32.10 H new ATOM 0 HB3 GLN A 80 7.600 7.116 -4.806 1.00 32.10 H new ATOM 0 HG2 GLN A 80 9.703 8.279 -4.097 1.00 70.34 H new ATOM 0 HG3 GLN A 80 10.448 6.716 -3.826 1.00 70.34 H new ATOM 0 HE21 GLN A 80 8.671 8.551 -6.362 1.00 73.30 H new ATOM 0 HE22 GLN A 80 9.635 7.950 -7.715 1.00 73.30 H new ATOM 1123 N ALA A 81 8.512 8.835 -1.624 1.00 61.25 N ATOM 1124 CA ALA A 81 8.369 10.233 -1.238 1.00 1.22 C ATOM 1125 C ALA A 81 9.654 11.011 -1.500 1.00 53.54 C ATOM 1126 O ALA A 81 10.719 10.422 -1.682 1.00 52.22 O ATOM 1127 CB ALA A 81 7.975 10.337 0.229 1.00 73.44 C ATOM 0 H ALA A 81 9.356 8.384 -1.271 1.00 61.25 H new ATOM 0 HA ALA A 81 7.580 10.673 -1.847 1.00 1.22 H new ATOM 0 HB1 ALA A 81 7.872 11.387 0.504 1.00 73.44 H new ATOM 0 HB2 ALA A 81 7.026 9.825 0.388 1.00 73.44 H new ATOM 0 HB3 ALA A 81 8.745 9.874 0.846 1.00 73.44 H new ATOM 1133 N MET A 82 9.546 12.335 -1.519 1.00 33.25 N ATOM 1134 CA MET A 82 10.701 13.192 -1.758 1.00 44.10 C ATOM 1135 C MET A 82 10.804 14.276 -0.690 1.00 52.30 C ATOM 1136 O MET A 82 9.852 15.018 -0.451 1.00 13.13 O ATOM 1137 CB MET A 82 10.609 13.833 -3.144 1.00 32.15 C ATOM 1138 CG MET A 82 11.684 14.877 -3.404 1.00 64.40 C ATOM 1139 SD MET A 82 12.154 14.970 -5.141 1.00 61.25 S ATOM 1140 CE MET A 82 13.353 13.643 -5.240 1.00 54.21 C ATOM 0 H MET A 82 8.671 12.838 -1.372 1.00 33.25 H new ATOM 0 HA MET A 82 11.597 12.573 -1.710 1.00 44.10 H new ATOM 0 HB2 MET A 82 10.681 13.053 -3.902 1.00 32.15 H new ATOM 0 HB3 MET A 82 9.629 14.297 -3.256 1.00 32.15 H new ATOM 0 HG2 MET A 82 11.325 15.852 -3.076 1.00 64.40 H new ATOM 0 HG3 MET A 82 12.564 14.644 -2.805 1.00 64.40 H new ATOM 0 HE1 MET A 82 14.280 14.022 -5.670 1.00 54.21 H new ATOM 0 HE2 MET A 82 13.549 13.254 -4.241 1.00 54.21 H new ATOM 0 HE3 MET A 82 12.961 12.844 -5.870 1.00 54.21 H new ATOM 1148 N ASN A 83 11.966 14.361 -0.050 1.00 71.20 N ATOM 1149 CA ASN A 83 12.193 15.355 0.994 1.00 70.11 C ATOM 1150 C ASN A 83 12.661 16.676 0.395 1.00 55.15 C ATOM 1151 O ASN A 83 12.935 16.765 -0.803 1.00 42.32 O ATOM 1152 CB ASN A 83 13.226 14.842 1.999 1.00 54.12 C ATOM 1153 CG ASN A 83 12.993 13.392 2.378 1.00 75.05 C ATOM 1154 OD1 ASN A 83 13.780 12.513 2.026 1.00 30.12 O ATOM 1155 ND2 ASN A 83 11.909 13.137 3.100 1.00 13.24 N ATOM 0 H ASN A 83 12.765 13.754 -0.236 1.00 71.20 H new ATOM 0 HA ASN A 83 11.248 15.526 1.510 1.00 70.11 H new ATOM 0 HB2 ASN A 83 14.225 14.948 1.576 1.00 54.12 H new ATOM 0 HB3 ASN A 83 13.193 15.459 2.897 1.00 54.12 H new ATOM 0 HD21 ASN A 83 11.700 12.180 3.386 1.00 13.24 H new ATOM 0 HD22 ASN A 83 11.285 13.898 3.369 1.00 13.24 H new ATOM 1161 N ARG A 84 12.754 17.702 1.235 1.00 71.13 N ATOM 1162 CA ARG A 84 13.190 19.020 0.788 1.00 45.24 C ATOM 1163 C ARG A 84 14.680 19.016 0.461 1.00 40.11 C ATOM 1164 O ARG A 84 15.174 19.901 -0.239 1.00 11.42 O ATOM 1165 CB ARG A 84 12.896 20.069 1.862 1.00 24.01 C ATOM 1166 CG ARG A 84 11.420 20.192 2.203 1.00 33.52 C ATOM 1167 CD ARG A 84 11.216 20.818 3.575 1.00 44.20 C ATOM 1168 NE ARG A 84 9.803 20.911 3.929 1.00 20.14 N ATOM 1169 CZ ARG A 84 9.357 21.524 5.021 1.00 70.13 C ATOM 1170 NH1 ARG A 84 10.211 22.096 5.858 1.00 5.33 N ATOM 1171 NH2 ARG A 84 8.054 21.567 5.274 1.00 52.44 N ATOM 0 H ARG A 84 12.533 17.646 2.229 1.00 71.13 H new ATOM 0 HA ARG A 84 12.637 19.271 -0.117 1.00 45.24 H new ATOM 0 HB2 ARG A 84 13.450 19.816 2.766 1.00 24.01 H new ATOM 0 HB3 ARG A 84 13.264 21.037 1.523 1.00 24.01 H new ATOM 0 HG2 ARG A 84 10.920 20.798 1.447 1.00 33.52 H new ATOM 0 HG3 ARG A 84 10.956 19.206 2.179 1.00 33.52 H new ATOM 0 HD2 ARG A 84 11.739 20.225 4.325 1.00 44.20 H new ATOM 0 HD3 ARG A 84 11.659 21.814 3.589 1.00 44.20 H new ATOM 0 HE ARG A 84 9.120 20.482 3.304 1.00 20.14 H new ATOM 0 HH11 ARG A 84 11.212 22.066 5.665 1.00 5.33 H new ATOM 0 HH12 ARG A 84 9.867 22.566 6.695 1.00 5.33 H new ATOM 0 HH21 ARG A 84 7.395 21.129 4.630 1.00 52.44 H new ATOM 0 HH22 ARG A 84 7.712 22.037 6.112 1.00 52.44 H new ATOM 1182 N ASN A 85 15.392 18.016 0.970 1.00 13.11 N ATOM 1183 CA ASN A 85 16.826 17.899 0.733 1.00 73.40 C ATOM 1184 C ASN A 85 17.106 17.457 -0.701 1.00 31.35 C ATOM 1185 O ASN A 85 18.207 17.645 -1.216 1.00 71.13 O ATOM 1186 CB ASN A 85 17.447 16.903 1.714 1.00 31.21 C ATOM 1187 CG ASN A 85 17.733 17.526 3.067 1.00 62.31 C ATOM 1188 OD1 ASN A 85 18.889 17.690 3.456 1.00 64.23 O ATOM 1189 ND2 ASN A 85 16.676 17.878 3.791 1.00 14.12 N ATOM 0 H ASN A 85 14.999 17.274 1.550 1.00 13.11 H new ATOM 0 HA ASN A 85 17.275 18.880 0.888 1.00 73.40 H new ATOM 0 HB2 ASN A 85 16.774 16.056 1.842 1.00 31.21 H new ATOM 0 HB3 ASN A 85 18.374 16.513 1.293 1.00 31.21 H new ATOM 0 HD21 ASN A 85 16.805 18.303 4.709 1.00 14.12 H new ATOM 0 HD22 ASN A 85 15.735 17.723 3.429 1.00 14.12 H new ATOM 1195 N GLY A 86 16.098 16.872 -1.341 1.00 45.02 N ATOM 1196 CA GLY A 86 16.254 16.415 -2.710 1.00 42.32 C ATOM 1197 C GLY A 86 16.274 14.902 -2.817 1.00 2.23 C ATOM 1198 O GLY A 86 16.079 14.346 -3.897 1.00 70.30 O ATOM 0 H GLY A 86 15.177 16.706 -0.936 1.00 45.02 H new ATOM 0 HA2 GLY A 86 15.438 16.808 -3.316 1.00 42.32 H new ATOM 0 HA3 GLY A 86 17.180 16.818 -3.121 1.00 42.32 H new ATOM 1202 N LYS A 87 16.509 14.234 -1.692 1.00 73.32 N ATOM 1203 CA LYS A 87 16.553 12.776 -1.663 1.00 14.01 C ATOM 1204 C LYS A 87 15.152 12.194 -1.501 1.00 40.03 C ATOM 1205 O LYS A 87 14.299 12.781 -0.837 1.00 25.41 O ATOM 1206 CB LYS A 87 17.451 12.296 -0.521 1.00 22.13 C ATOM 1207 CG LYS A 87 18.918 12.199 -0.901 1.00 44.04 C ATOM 1208 CD LYS A 87 19.821 12.670 0.228 1.00 22.41 C ATOM 1209 CE LYS A 87 19.780 14.182 0.380 1.00 64.22 C ATOM 1210 NZ LYS A 87 19.987 14.604 1.793 1.00 23.21 N ATOM 0 H LYS A 87 16.672 14.679 -0.789 1.00 73.32 H new ATOM 0 HA LYS A 87 16.965 12.430 -2.611 1.00 14.01 H new ATOM 0 HB2 LYS A 87 17.347 12.978 0.323 1.00 22.13 H new ATOM 0 HB3 LYS A 87 17.106 11.318 -0.185 1.00 22.13 H new ATOM 0 HG2 LYS A 87 19.161 11.167 -1.156 1.00 44.04 H new ATOM 0 HG3 LYS A 87 19.104 12.800 -1.791 1.00 44.04 H new ATOM 0 HD2 LYS A 87 19.512 12.201 1.162 1.00 22.41 H new ATOM 0 HD3 LYS A 87 20.845 12.350 0.034 1.00 22.41 H new ATOM 0 HE2 LYS A 87 20.548 14.631 -0.249 1.00 64.22 H new ATOM 0 HE3 LYS A 87 18.819 14.556 0.026 1.00 64.22 H new ATOM 0 HZ1 LYS A 87 20.271 15.604 1.819 1.00 23.21 H new ATOM 0 HZ2 LYS A 87 19.102 14.482 2.325 1.00 23.21 H new ATOM 0 HZ3 LYS A 87 20.733 14.021 2.224 1.00 23.21 H new ATOM 1220 N GLU A 88 14.925 11.034 -2.112 1.00 33.24 N ATOM 1221 CA GLU A 88 13.628 10.372 -2.035 1.00 71.44 C ATOM 1222 C GLU A 88 13.686 9.171 -1.097 1.00 44.51 C ATOM 1223 O GLU A 88 14.700 8.475 -1.021 1.00 24.41 O ATOM 1224 CB GLU A 88 13.174 9.926 -3.426 1.00 75.21 C ATOM 1225 CG GLU A 88 13.753 8.589 -3.855 1.00 10.52 C ATOM 1226 CD GLU A 88 13.359 8.210 -5.269 1.00 73.32 C ATOM 1227 OE1 GLU A 88 12.469 8.877 -5.838 1.00 41.24 O ATOM 1228 OE2 GLU A 88 13.941 7.245 -5.808 1.00 74.12 O ATOM 0 H GLU A 88 15.622 10.535 -2.665 1.00 33.24 H new ATOM 0 HA GLU A 88 12.907 11.087 -1.638 1.00 71.44 H new ATOM 0 HB2 GLU A 88 12.086 9.863 -3.441 1.00 75.21 H new ATOM 0 HB3 GLU A 88 13.459 10.686 -4.153 1.00 75.21 H new ATOM 0 HG2 GLU A 88 14.840 8.628 -3.783 1.00 10.52 H new ATOM 0 HG3 GLU A 88 13.415 7.814 -3.167 1.00 10.52 H new ATOM 1233 N THR A 89 12.591 8.932 -0.383 1.00 44.33 N ATOM 1234 CA THR A 89 12.517 7.816 0.551 1.00 1.43 C ATOM 1235 C THR A 89 11.714 6.659 -0.034 1.00 75.12 C ATOM 1236 O THR A 89 10.627 6.857 -0.578 1.00 14.51 O ATOM 1237 CB THR A 89 11.878 8.242 1.887 1.00 51.33 C ATOM 1238 OG1 THR A 89 12.176 9.616 2.156 1.00 34.53 O ATOM 1239 CG2 THR A 89 12.384 7.376 3.031 1.00 0.51 C ATOM 0 H THR A 89 11.743 9.497 -0.434 1.00 44.33 H new ATOM 0 HA THR A 89 13.541 7.490 0.732 1.00 1.43 H new ATOM 0 HB THR A 89 10.799 8.113 1.805 1.00 51.33 H new ATOM 0 HG1 THR A 89 12.056 9.796 3.112 1.00 34.53 H new ATOM 0 HG21 THR A 89 11.919 7.696 3.963 1.00 0.51 H new ATOM 0 HG22 THR A 89 12.130 6.334 2.838 1.00 0.51 H new ATOM 0 HG23 THR A 89 13.466 7.477 3.113 1.00 0.51 H new ATOM 1247 N LYS A 90 12.258 5.452 0.076 1.00 3.44 N ATOM 1248 CA LYS A 90 11.592 4.262 -0.440 1.00 62.34 C ATOM 1249 C LYS A 90 10.867 3.515 0.673 1.00 55.42 C ATOM 1250 O LYS A 90 11.343 3.460 1.808 1.00 44.12 O ATOM 1251 CB LYS A 90 12.608 3.337 -1.113 1.00 44.12 C ATOM 1252 CG LYS A 90 13.570 2.679 -0.138 1.00 74.14 C ATOM 1253 CD LYS A 90 13.551 1.166 -0.269 1.00 44.12 C ATOM 1254 CE LYS A 90 12.158 0.603 -0.027 1.00 32.42 C ATOM 1255 NZ LYS A 90 12.199 -0.841 0.331 1.00 1.35 N ATOM 0 H LYS A 90 13.159 5.272 0.518 1.00 3.44 H new ATOM 0 HA LYS A 90 10.854 4.581 -1.177 1.00 62.34 H new ATOM 0 HB2 LYS A 90 12.073 2.562 -1.662 1.00 44.12 H new ATOM 0 HB3 LYS A 90 13.179 3.909 -1.844 1.00 44.12 H new ATOM 0 HG2 LYS A 90 14.580 3.048 -0.318 1.00 74.14 H new ATOM 0 HG3 LYS A 90 13.305 2.960 0.881 1.00 74.14 H new ATOM 0 HD2 LYS A 90 13.892 0.882 -1.265 1.00 44.12 H new ATOM 0 HD3 LYS A 90 14.250 0.729 0.444 1.00 44.12 H new ATOM 0 HE2 LYS A 90 11.674 1.162 0.774 1.00 32.42 H new ATOM 0 HE3 LYS A 90 11.551 0.738 -0.922 1.00 32.42 H new ATOM 0 HZ1 LYS A 90 11.272 -1.134 0.699 1.00 1.35 H new ATOM 0 HZ2 LYS A 90 12.428 -1.402 -0.514 1.00 1.35 H new ATOM 0 HZ3 LYS A 90 12.926 -0.998 1.058 1.00 1.35 H new ATOM 1265 N SER A 91 9.715 2.940 0.345 1.00 60.31 N ATOM 1266 CA SER A 91 8.924 2.198 1.318 1.00 31.25 C ATOM 1267 C SER A 91 8.219 1.017 0.659 1.00 34.21 C ATOM 1268 O SER A 91 7.443 1.188 -0.279 1.00 64.22 O ATOM 1269 CB SER A 91 7.894 3.119 1.977 1.00 45.21 C ATOM 1270 OG SER A 91 8.526 4.206 2.629 1.00 0.40 O ATOM 0 H SER A 91 9.308 2.974 -0.590 1.00 60.31 H new ATOM 0 HA SER A 91 9.600 1.814 2.082 1.00 31.25 H new ATOM 0 HB2 SER A 91 7.203 3.495 1.223 1.00 45.21 H new ATOM 0 HB3 SER A 91 7.303 2.553 2.697 1.00 45.21 H new ATOM 0 HG SER A 91 8.255 5.046 2.202 1.00 0.40 H new ATOM 1275 N ASN A 92 8.497 -0.184 1.159 1.00 74.23 N ATOM 1276 CA ASN A 92 7.890 -1.395 0.618 1.00 14.42 C ATOM 1277 C ASN A 92 7.255 -2.226 1.728 1.00 22.21 C ATOM 1278 O ASN A 92 7.925 -2.626 2.681 1.00 43.35 O ATOM 1279 CB ASN A 92 8.938 -2.229 -0.122 1.00 12.30 C ATOM 1280 CG ASN A 92 8.320 -3.363 -0.915 1.00 14.31 C ATOM 1281 OD1 ASN A 92 8.294 -3.332 -2.145 1.00 44.14 O ATOM 1282 ND2 ASN A 92 7.817 -4.371 -0.212 1.00 45.23 N ATOM 0 H ASN A 92 9.138 -0.344 1.937 1.00 74.23 H new ATOM 0 HA ASN A 92 7.110 -1.099 -0.083 1.00 14.42 H new ATOM 0 HB2 ASN A 92 9.502 -1.584 -0.795 1.00 12.30 H new ATOM 0 HB3 ASN A 92 9.648 -2.637 0.598 1.00 12.30 H new ATOM 0 HD21 ASN A 92 7.387 -5.162 -0.691 1.00 45.23 H new ATOM 0 HD22 ASN A 92 7.861 -4.354 0.807 1.00 45.23 H new ATOM 1288 N TYR A 93 5.958 -2.482 1.599 1.00 3.25 N ATOM 1289 CA TYR A 93 5.230 -3.265 2.591 1.00 70.11 C ATOM 1290 C TYR A 93 4.463 -4.406 1.930 1.00 1.42 C ATOM 1291 O TYR A 93 3.587 -4.179 1.096 1.00 13.22 O ATOM 1292 CB TYR A 93 4.264 -2.369 3.368 1.00 12.42 C ATOM 1293 CG TYR A 93 4.917 -1.614 4.504 1.00 41.32 C ATOM 1294 CD1 TYR A 93 5.037 -2.186 5.766 1.00 51.02 C ATOM 1295 CD2 TYR A 93 5.414 -0.331 4.317 1.00 45.43 C ATOM 1296 CE1 TYR A 93 5.632 -1.501 6.806 1.00 53.42 C ATOM 1297 CE2 TYR A 93 6.013 0.361 5.352 1.00 73.12 C ATOM 1298 CZ TYR A 93 6.119 -0.228 6.595 1.00 72.00 C ATOM 1299 OH TYR A 93 6.714 0.459 7.629 1.00 71.34 O ATOM 0 H TYR A 93 5.389 -2.159 0.817 1.00 3.25 H new ATOM 0 HA TYR A 93 5.956 -3.693 3.283 1.00 70.11 H new ATOM 0 HB2 TYR A 93 3.812 -1.654 2.680 1.00 12.42 H new ATOM 0 HB3 TYR A 93 3.456 -2.981 3.767 1.00 12.42 H new ATOM 0 HD1 TYR A 93 4.658 -3.183 5.935 1.00 51.02 H new ATOM 0 HD2 TYR A 93 5.331 0.134 3.346 1.00 45.43 H new ATOM 0 HE1 TYR A 93 5.716 -1.960 7.780 1.00 53.42 H new ATOM 0 HE2 TYR A 93 6.396 1.357 5.189 1.00 73.12 H new ATOM 0 HH TYR A 93 7.661 0.605 7.423 1.00 71.34 H new ATOM 1308 N ARG A 94 4.800 -5.635 2.309 1.00 75.10 N ATOM 1309 CA ARG A 94 4.145 -6.813 1.754 1.00 32.13 C ATOM 1310 C ARG A 94 2.872 -7.143 2.529 1.00 74.12 C ATOM 1311 O ARG A 94 2.857 -7.116 3.760 1.00 73.44 O ATOM 1312 CB ARG A 94 5.095 -8.010 1.781 1.00 43.54 C ATOM 1313 CG ARG A 94 6.345 -7.816 0.937 1.00 12.13 C ATOM 1314 CD ARG A 94 7.608 -8.024 1.758 1.00 45.34 C ATOM 1315 NE ARG A 94 7.574 -9.279 2.504 1.00 0.52 N ATOM 1316 CZ ARG A 94 7.822 -10.465 1.962 1.00 42.44 C ATOM 1317 NH1 ARG A 94 8.122 -10.559 0.673 1.00 41.22 N ATOM 1318 NH2 ARG A 94 7.772 -11.562 2.706 1.00 44.20 N ATOM 0 H ARG A 94 5.523 -5.840 2.998 1.00 75.10 H new ATOM 0 HA ARG A 94 3.875 -6.595 0.721 1.00 32.13 H new ATOM 0 HB2 ARG A 94 5.390 -8.206 2.812 1.00 43.54 H new ATOM 0 HB3 ARG A 94 4.563 -8.893 1.429 1.00 43.54 H new ATOM 0 HG2 ARG A 94 6.333 -8.516 0.101 1.00 12.13 H new ATOM 0 HG3 ARG A 94 6.347 -6.812 0.512 1.00 12.13 H new ATOM 0 HD2 ARG A 94 8.475 -8.018 1.097 1.00 45.34 H new ATOM 0 HD3 ARG A 94 7.730 -7.193 2.452 1.00 45.34 H new ATOM 0 HE ARG A 94 7.347 -9.242 3.498 1.00 0.52 H new ATOM 0 HH11 ARG A 94 8.162 -9.719 0.096 1.00 41.22 H new ATOM 0 HH12 ARG A 94 8.312 -11.472 0.259 1.00 41.22 H new ATOM 0 HH21 ARG A 94 7.542 -11.496 3.698 1.00 44.20 H new ATOM 0 HH22 ARG A 94 7.963 -12.472 2.286 1.00 44.20 H new ATOM 1329 N VAL A 95 1.805 -7.453 1.799 1.00 75.12 N ATOM 1330 CA VAL A 95 0.528 -7.787 2.415 1.00 2.34 C ATOM 1331 C VAL A 95 0.077 -9.189 2.019 1.00 21.33 C ATOM 1332 O VAL A 95 0.133 -9.562 0.848 1.00 71.32 O ATOM 1333 CB VAL A 95 -0.567 -6.778 2.026 1.00 33.31 C ATOM 1334 CG1 VAL A 95 -1.922 -7.231 2.546 1.00 11.24 C ATOM 1335 CG2 VAL A 95 -0.222 -5.391 2.547 1.00 12.35 C ATOM 0 H VAL A 95 1.801 -7.479 0.779 1.00 75.12 H new ATOM 0 HA VAL A 95 0.679 -7.747 3.494 1.00 2.34 H new ATOM 0 HB VAL A 95 -0.622 -6.729 0.938 1.00 33.31 H new ATOM 0 HG11 VAL A 95 -2.683 -6.504 2.261 1.00 11.24 H new ATOM 0 HG12 VAL A 95 -2.170 -8.203 2.118 1.00 11.24 H new ATOM 0 HG13 VAL A 95 -1.886 -7.311 3.632 1.00 11.24 H new ATOM 0 HG21 VAL A 95 -1.007 -4.690 2.263 1.00 12.35 H new ATOM 0 HG22 VAL A 95 -0.138 -5.421 3.633 1.00 12.35 H new ATOM 0 HG23 VAL A 95 0.726 -5.067 2.119 1.00 12.35 H new ATOM 1345 N ARG A 96 -0.372 -9.961 3.003 1.00 43.11 N ATOM 1346 CA ARG A 96 -0.833 -11.322 2.756 1.00 10.32 C ATOM 1347 C ARG A 96 -2.184 -11.568 3.422 1.00 35.11 C ATOM 1348 O ARG A 96 -2.351 -11.329 4.619 1.00 72.53 O ATOM 1349 CB ARG A 96 0.193 -12.332 3.273 1.00 1.20 C ATOM 1350 CG ARG A 96 0.913 -13.087 2.167 1.00 54.14 C ATOM 1351 CD ARG A 96 1.909 -12.195 1.442 1.00 41.24 C ATOM 1352 NE ARG A 96 3.141 -12.909 1.108 1.00 22.33 N ATOM 1353 CZ ARG A 96 4.080 -13.209 1.996 1.00 13.02 C ATOM 1354 NH1 ARG A 96 3.931 -12.861 3.267 1.00 52.01 N ATOM 1355 NH2 ARG A 96 5.172 -13.859 1.614 1.00 22.21 N ATOM 0 H ARG A 96 -0.426 -9.667 3.978 1.00 43.11 H new ATOM 0 HA ARG A 96 -0.949 -11.450 1.680 1.00 10.32 H new ATOM 0 HB2 ARG A 96 0.929 -11.809 3.884 1.00 1.20 H new ATOM 0 HB3 ARG A 96 -0.310 -13.048 3.923 1.00 1.20 H new ATOM 0 HG2 ARG A 96 1.433 -13.946 2.590 1.00 54.14 H new ATOM 0 HG3 ARG A 96 0.184 -13.474 1.455 1.00 54.14 H new ATOM 0 HD2 ARG A 96 1.454 -11.810 0.529 1.00 41.24 H new ATOM 0 HD3 ARG A 96 2.147 -11.334 2.067 1.00 41.24 H new ATOM 0 HE ARG A 96 3.286 -13.192 0.139 1.00 22.33 H new ATOM 0 HH11 ARG A 96 3.093 -12.361 3.564 1.00 52.01 H new ATOM 0 HH12 ARG A 96 4.655 -13.093 3.947 1.00 52.01 H new ATOM 0 HH21 ARG A 96 5.290 -14.128 0.637 1.00 22.21 H new ATOM 0 HH22 ARG A 96 5.894 -14.089 2.297 1.00 22.21 H new ATOM 1366 N VAL A 97 -3.146 -12.047 2.639 1.00 0.21 N ATOM 1367 CA VAL A 97 -4.482 -12.325 3.152 1.00 52.31 C ATOM 1368 C VAL A 97 -4.573 -13.744 3.704 1.00 20.11 C ATOM 1369 O VAL A 97 -3.585 -14.477 3.729 1.00 35.21 O ATOM 1370 CB VAL A 97 -5.552 -12.140 2.061 1.00 5.21 C ATOM 1371 CG1 VAL A 97 -5.429 -10.766 1.419 1.00 2.53 C ATOM 1372 CG2 VAL A 97 -5.439 -13.238 1.013 1.00 31.14 C ATOM 0 H VAL A 97 -3.025 -12.250 1.647 1.00 0.21 H new ATOM 0 HA VAL A 97 -4.668 -11.613 3.956 1.00 52.31 H new ATOM 0 HB VAL A 97 -6.535 -12.211 2.526 1.00 5.21 H new ATOM 0 HG11 VAL A 97 -6.194 -10.654 0.650 1.00 2.53 H new ATOM 0 HG12 VAL A 97 -5.563 -9.996 2.179 1.00 2.53 H new ATOM 0 HG13 VAL A 97 -4.442 -10.662 0.967 1.00 2.53 H new ATOM 0 HG21 VAL A 97 -6.203 -13.092 0.249 1.00 31.14 H new ATOM 0 HG22 VAL A 97 -4.452 -13.200 0.551 1.00 31.14 H new ATOM 0 HG23 VAL A 97 -5.581 -14.209 1.487 1.00 31.14 H new ATOM 1382 N TYR A 98 -5.767 -14.125 4.145 1.00 64.13 N ATOM 1383 CA TYR A 98 -5.988 -15.456 4.698 1.00 10.32 C ATOM 1384 C TYR A 98 -5.879 -16.522 3.613 1.00 72.12 C ATOM 1385 O TYR A 98 -4.847 -17.181 3.477 1.00 23.31 O ATOM 1386 CB TYR A 98 -7.363 -15.531 5.365 1.00 52.12 C ATOM 1387 CG TYR A 98 -7.705 -16.906 5.893 1.00 12.33 C ATOM 1388 CD1 TYR A 98 -6.758 -17.666 6.569 1.00 4.34 C ATOM 1389 CD2 TYR A 98 -8.974 -17.443 5.719 1.00 60.43 C ATOM 1390 CE1 TYR A 98 -7.066 -18.924 7.053 1.00 30.24 C ATOM 1391 CE2 TYR A 98 -9.291 -18.698 6.201 1.00 23.31 C ATOM 1392 CZ TYR A 98 -8.334 -19.434 6.866 1.00 21.00 C ATOM 1393 OH TYR A 98 -8.645 -20.685 7.348 1.00 43.53 O ATOM 0 H TYR A 98 -6.596 -13.531 4.130 1.00 64.13 H new ATOM 0 HA TYR A 98 -5.217 -15.644 5.445 1.00 10.32 H new ATOM 0 HB2 TYR A 98 -7.398 -14.816 6.187 1.00 52.12 H new ATOM 0 HB3 TYR A 98 -8.124 -15.228 4.646 1.00 52.12 H new ATOM 0 HD1 TYR A 98 -5.765 -17.268 6.719 1.00 4.34 H new ATOM 0 HD2 TYR A 98 -9.726 -16.869 5.198 1.00 60.43 H new ATOM 0 HE1 TYR A 98 -6.319 -19.504 7.574 1.00 30.24 H new ATOM 0 HE2 TYR A 98 -10.283 -19.100 6.058 1.00 23.31 H new ATOM 0 HH TYR A 98 -9.578 -20.895 7.134 1.00 43.53 H new ATOM 1402 N GLN A 99 -6.950 -16.685 2.841 1.00 51.52 N ATOM 1403 CA GLN A 99 -6.975 -17.671 1.767 1.00 14.53 C ATOM 1404 C GLN A 99 -5.869 -17.398 0.754 1.00 72.45 C ATOM 1405 O GLN A 99 -5.545 -16.245 0.469 1.00 15.25 O ATOM 1406 CB GLN A 99 -8.336 -17.663 1.072 1.00 42.14 C ATOM 1407 CG GLN A 99 -9.157 -18.917 1.325 1.00 44.23 C ATOM 1408 CD GLN A 99 -9.344 -19.203 2.802 1.00 41.04 C ATOM 1409 OE1 GLN A 99 -8.476 -20.038 3.359 1.00 23.12 O flip ATOM 1410 NE2 GLN A 99 -10.260 -18.678 3.436 1.00 22.01 N flip ATOM 0 H GLN A 99 -7.811 -16.147 2.940 1.00 51.52 H new ATOM 0 HA GLN A 99 -6.806 -18.655 2.205 1.00 14.53 H new ATOM 0 HB2 GLN A 99 -8.902 -16.795 1.410 1.00 42.14 H new ATOM 0 HB3 GLN A 99 -8.186 -17.548 -0.001 1.00 42.14 H new ATOM 0 HG2 GLN A 99 -10.134 -18.809 0.853 1.00 44.23 H new ATOM 0 HG3 GLN A 99 -8.667 -19.769 0.853 1.00 44.23 H new ATOM 0 HE21 GLN A 99 -10.905 -18.042 2.968 1.00 22.01 H new ATOM 0 HE22 GLN A 99 -10.374 -18.880 4.429 1.00 22.01 H new ATOM 1417 N ILE A 100 -5.295 -18.467 0.210 1.00 53.51 N ATOM 1418 CA ILE A 100 -4.226 -18.342 -0.774 1.00 24.14 C ATOM 1419 C ILE A 100 -4.607 -19.015 -2.088 1.00 4.33 C ATOM 1420 O ILE A 100 -5.488 -19.874 -2.141 1.00 2.03 O ATOM 1421 CB ILE A 100 -2.911 -18.954 -0.257 1.00 15.32 C ATOM 1422 CG1 ILE A 100 -3.196 -19.954 0.865 1.00 51.32 C ATOM 1423 CG2 ILE A 100 -1.971 -17.860 0.226 1.00 31.02 C ATOM 1424 CD1 ILE A 100 -1.962 -20.689 1.345 1.00 2.45 C ATOM 0 H ILE A 100 -5.552 -19.428 0.434 1.00 53.51 H new ATOM 0 HA ILE A 100 -4.077 -17.276 -0.945 1.00 24.14 H new ATOM 0 HB ILE A 100 -2.427 -19.485 -1.077 1.00 15.32 H new ATOM 0 HG12 ILE A 100 -3.645 -19.426 1.706 1.00 51.32 H new ATOM 0 HG13 ILE A 100 -3.930 -20.681 0.516 1.00 51.32 H new ATOM 0 HG21 ILE A 100 -1.046 -18.309 0.588 1.00 31.02 H new ATOM 0 HG22 ILE A 100 -1.747 -17.183 -0.598 1.00 31.02 H new ATOM 0 HG23 ILE A 100 -2.445 -17.304 1.034 1.00 31.02 H new ATOM 0 HD11 ILE A 100 -2.237 -21.381 2.141 1.00 2.45 H new ATOM 0 HD12 ILE A 100 -1.524 -21.245 0.516 1.00 2.45 H new ATOM 0 HD13 ILE A 100 -1.235 -19.971 1.725 1.00 2.45 H new ATOM 1435 N PRO A 101 -3.927 -18.621 -3.174 1.00 15.33 N ATOM 1436 CA PRO A 101 -4.175 -19.176 -4.508 1.00 54.45 C ATOM 1437 C PRO A 101 -3.716 -20.626 -4.627 1.00 61.40 C ATOM 1438 O PRO A 101 -4.156 -21.355 -5.515 1.00 5.41 O ATOM 1439 CB PRO A 101 -3.345 -18.276 -5.427 1.00 14.45 C ATOM 1440 CG PRO A 101 -2.262 -17.740 -4.555 1.00 1.33 C ATOM 1441 CD PRO A 101 -2.863 -17.603 -3.184 1.00 34.23 C ATOM 0 HA PRO A 101 -5.237 -19.193 -4.751 1.00 54.45 H new ATOM 0 HB2 PRO A 101 -2.936 -18.838 -6.267 1.00 14.45 H new ATOM 0 HB3 PRO A 101 -3.950 -17.472 -5.846 1.00 14.45 H new ATOM 0 HG2 PRO A 101 -1.405 -18.413 -4.540 1.00 1.33 H new ATOM 0 HG3 PRO A 101 -1.905 -16.778 -4.923 1.00 1.33 H new ATOM 0 HD2 PRO A 101 -2.126 -17.785 -2.402 1.00 34.23 H new ATOM 0 HD3 PRO A 101 -3.263 -16.602 -3.019 1.00 34.23 H new