USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 657 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 57 GLN : amide:sc= 0 X(o=-0.11,f=-0.18) USER MOD Set 1.2: A 80 TYR OH : rot -116:sc= -0.112 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0683 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.247 K(o=-0.25,f=-1) USER MOD Single : A 6 GLN : amide:sc= 0.232 X(o=0.23,f=-0.071) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0117 K(o=-0.012,f=-0.64) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0.44 (180deg=0.44) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.068 X(o=-0.068,f=-0.55) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -151:sc= 0.946 (180deg=0.458) USER MOD Single : A 47 ASN : amide:sc= -0.372 K(o=-0.37,f=-3.6!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 7:sc= 1.2 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0.205 K(o=0.21,f=-3.4!) USER MOD Single : A 68 ASN : amide:sc= -0.0211 K(o=-0.021,f=-0.8) USER MOD Single : A 69 LYS NZ :NH3+ -109:sc= 1.87 (180deg=0.158) USER MOD Single : A 70 SER OG : rot 130:sc= -0.336 USER MOD Single : A 74 CYS SG : rot -41:sc= 0 USER MOD Single : A 77 MET CE :methyl 171:sc= 0 (180deg=-0.184) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0811 USER MOD Single : A 82 GLN : amide:sc= -0.88 X(o=-0.88,f=-0.5) USER MOD Single : A 85 LYS NZ :NH3+ -177:sc=-0.00524 (180deg=-0.0414) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.102 -2.780 -8.004 1.00 62.42 N ATOM 2 CA GLY A 1 14.524 -1.982 -6.924 1.00 52.11 C ATOM 3 C GLY A 1 15.597 -1.302 -6.104 1.00 65.51 C ATOM 4 O GLY A 1 16.731 -1.140 -6.562 1.00 45.12 O ATOM 0 H1 GLY A 1 14.717 -2.460 -8.916 1.00 62.42 H new ATOM 0 H2 GLY A 1 16.136 -2.666 -8.005 1.00 62.42 H new ATOM 0 H3 GLY A 1 14.865 -3.782 -7.860 1.00 62.42 H new ATOM 0 HA2 GLY A 1 13.854 -1.231 -7.343 1.00 52.11 H new ATOM 0 HA3 GLY A 1 13.922 -2.622 -6.279 1.00 52.11 H new ATOM 8 N SER A 2 15.232 -0.896 -4.894 1.00 51.13 N ATOM 9 CA SER A 2 16.067 -0.181 -3.949 1.00 73.21 C ATOM 10 C SER A 2 15.972 -0.816 -2.559 1.00 50.31 C ATOM 11 O SER A 2 15.390 -1.888 -2.408 1.00 30.31 O ATOM 12 CB SER A 2 15.680 1.303 -4.018 1.00 44.12 C ATOM 13 OG SER A 2 16.639 1.950 -4.835 1.00 73.25 O ATOM 0 H SER A 2 14.295 -1.068 -4.531 1.00 51.13 H new ATOM 0 HA SER A 2 17.125 -0.251 -4.200 1.00 73.21 H new ATOM 0 HB2 SER A 2 14.679 1.420 -4.434 1.00 44.12 H new ATOM 0 HB3 SER A 2 15.665 1.743 -3.021 1.00 44.12 H new ATOM 0 HG SER A 2 16.421 2.903 -4.903 1.00 73.25 H new ATOM 19 N GLU A 3 16.580 -0.160 -1.564 1.00 3.24 N ATOM 20 CA GLU A 3 16.717 -0.585 -0.169 1.00 43.21 C ATOM 21 C GLU A 3 15.385 -1.124 0.356 1.00 10.34 C ATOM 22 O GLU A 3 15.319 -2.185 0.977 1.00 4.41 O ATOM 23 CB GLU A 3 17.152 0.676 0.614 1.00 41.34 C ATOM 24 CG GLU A 3 17.288 0.527 2.136 1.00 25.33 C ATOM 25 CD GLU A 3 18.669 0.016 2.560 1.00 11.30 C ATOM 26 OE1 GLU A 3 19.037 -1.121 2.189 1.00 71.51 O ATOM 27 OE2 GLU A 3 19.402 0.750 3.266 1.00 43.21 O ATOM 0 H GLU A 3 17.020 0.746 -1.726 1.00 3.24 H new ATOM 0 HA GLU A 3 17.446 -1.388 -0.059 1.00 43.21 H new ATOM 0 HB2 GLU A 3 18.111 1.009 0.217 1.00 41.34 H new ATOM 0 HB3 GLU A 3 16.431 1.468 0.412 1.00 41.34 H new ATOM 0 HG2 GLU A 3 17.101 1.491 2.609 1.00 25.33 H new ATOM 0 HG3 GLU A 3 16.524 -0.160 2.499 1.00 25.33 H new ATOM 34 N ASN A 4 14.315 -0.398 0.038 1.00 74.52 N ATOM 35 CA ASN A 4 12.974 -0.649 0.536 1.00 12.22 C ATOM 36 C ASN A 4 12.525 -2.045 0.157 1.00 14.33 C ATOM 37 O ASN A 4 11.875 -2.683 0.975 1.00 70.42 O ATOM 38 CB ASN A 4 11.950 0.373 0.006 1.00 34.42 C ATOM 39 CG ASN A 4 12.567 1.742 -0.195 1.00 34.31 C ATOM 40 OD1 ASN A 4 12.695 2.512 0.751 1.00 43.35 O ATOM 41 ND2 ASN A 4 13.023 2.029 -1.402 1.00 71.34 N ATOM 0 H ASN A 4 14.364 0.403 -0.592 1.00 74.52 H new ATOM 0 HA ASN A 4 13.018 -0.550 1.621 1.00 12.22 H new ATOM 0 HB2 ASN A 4 11.539 0.018 -0.939 1.00 34.42 H new ATOM 0 HB3 ASN A 4 11.118 0.449 0.706 1.00 34.42 H new ATOM 0 HD21 ASN A 4 13.499 2.915 -1.570 1.00 71.34 H new ATOM 0 HD22 ASN A 4 12.899 1.364 -2.166 1.00 71.34 H new ATOM 48 N PHE A 5 12.853 -2.506 -1.055 1.00 52.43 N ATOM 49 CA PHE A 5 12.421 -3.789 -1.588 1.00 33.53 C ATOM 50 C PHE A 5 12.757 -4.925 -0.630 1.00 21.43 C ATOM 51 O PHE A 5 11.857 -5.654 -0.220 1.00 50.43 O ATOM 52 CB PHE A 5 13.044 -4.039 -2.966 1.00 44.34 C ATOM 53 CG PHE A 5 12.564 -5.316 -3.625 1.00 70.25 C ATOM 54 CD1 PHE A 5 11.272 -5.389 -4.185 1.00 50.41 C ATOM 55 CD2 PHE A 5 13.402 -6.448 -3.655 1.00 44.24 C ATOM 56 CE1 PHE A 5 10.844 -6.576 -4.805 1.00 23.12 C ATOM 57 CE2 PHE A 5 12.960 -7.636 -4.260 1.00 65.45 C ATOM 58 CZ PHE A 5 11.693 -7.692 -4.856 1.00 71.45 C ATOM 0 H PHE A 5 13.440 -1.980 -1.702 1.00 52.43 H new ATOM 0 HA PHE A 5 11.337 -3.757 -1.701 1.00 33.53 H new ATOM 0 HB2 PHE A 5 12.815 -3.196 -3.617 1.00 44.34 H new ATOM 0 HB3 PHE A 5 14.128 -4.078 -2.864 1.00 44.34 H new ATOM 0 HD1 PHE A 5 10.613 -4.535 -4.138 1.00 50.41 H new ATOM 0 HD2 PHE A 5 14.386 -6.402 -3.212 1.00 44.24 H new ATOM 0 HE1 PHE A 5 9.858 -6.629 -5.243 1.00 23.12 H new ATOM 0 HE2 PHE A 5 13.598 -8.508 -4.266 1.00 65.45 H new ATOM 0 HZ PHE A 5 11.370 -8.594 -5.355 1.00 71.45 H new ATOM 68 N GLN A 6 14.034 -5.097 -0.282 1.00 31.51 N ATOM 69 CA GLN A 6 14.423 -6.232 0.544 1.00 23.41 C ATOM 70 C GLN A 6 13.795 -6.124 1.936 1.00 64.12 C ATOM 71 O GLN A 6 13.365 -7.140 2.483 1.00 64.33 O ATOM 72 CB GLN A 6 15.950 -6.359 0.616 1.00 41.11 C ATOM 73 CG GLN A 6 16.388 -7.581 1.441 1.00 11.31 C ATOM 74 CD GLN A 6 15.910 -8.909 0.860 1.00 32.12 C ATOM 75 OE1 GLN A 6 16.523 -9.453 -0.059 1.00 54.03 O ATOM 76 NE2 GLN A 6 14.816 -9.447 1.373 1.00 72.45 N ATOM 0 H GLN A 6 14.798 -4.478 -0.554 1.00 31.51 H new ATOM 0 HA GLN A 6 14.045 -7.144 0.081 1.00 23.41 H new ATOM 0 HB2 GLN A 6 16.355 -6.438 -0.393 1.00 41.11 H new ATOM 0 HB3 GLN A 6 16.369 -5.455 1.057 1.00 41.11 H new ATOM 0 HG2 GLN A 6 17.476 -7.593 1.508 1.00 11.31 H new ATOM 0 HG3 GLN A 6 16.007 -7.479 2.457 1.00 11.31 H new ATOM 0 HE21 GLN A 6 14.325 -8.977 2.134 1.00 72.45 H new ATOM 0 HE22 GLN A 6 14.463 -10.331 1.008 1.00 72.45 H new ATOM 85 N THR A 7 13.728 -4.921 2.504 1.00 64.23 N ATOM 86 CA THR A 7 13.129 -4.726 3.814 1.00 3.41 C ATOM 87 C THR A 7 11.621 -5.033 3.758 1.00 41.23 C ATOM 88 O THR A 7 11.087 -5.665 4.665 1.00 43.45 O ATOM 89 CB THR A 7 13.471 -3.308 4.305 1.00 53.31 C ATOM 90 OG1 THR A 7 14.841 -3.029 4.063 1.00 31.33 O ATOM 91 CG2 THR A 7 13.221 -3.152 5.802 1.00 50.31 C ATOM 0 H THR A 7 14.083 -4.068 2.073 1.00 64.23 H new ATOM 0 HA THR A 7 13.538 -5.422 4.547 1.00 3.41 H new ATOM 0 HB THR A 7 12.828 -2.617 3.759 1.00 53.31 H new ATOM 0 HG1 THR A 7 15.051 -2.125 4.376 1.00 31.33 H new ATOM 0 HG21 THR A 7 13.474 -2.137 6.109 1.00 50.31 H new ATOM 0 HG22 THR A 7 12.170 -3.345 6.017 1.00 50.31 H new ATOM 0 HG23 THR A 7 13.840 -3.862 6.350 1.00 50.31 H new ATOM 99 N LEU A 8 10.932 -4.693 2.660 1.00 4.01 N ATOM 100 CA LEU A 8 9.529 -5.038 2.446 1.00 32.22 C ATOM 101 C LEU A 8 9.339 -6.552 2.379 1.00 65.23 C ATOM 102 O LEU A 8 8.324 -7.059 2.856 1.00 70.44 O ATOM 103 CB LEU A 8 8.994 -4.440 1.139 1.00 70.45 C ATOM 104 CG LEU A 8 8.740 -2.920 1.127 1.00 43.01 C ATOM 105 CD1 LEU A 8 8.595 -2.464 -0.329 1.00 50.01 C ATOM 106 CD2 LEU A 8 7.531 -2.531 1.972 1.00 12.13 C ATOM 0 H LEU A 8 11.342 -4.165 1.890 1.00 4.01 H new ATOM 0 HA LEU A 8 8.979 -4.626 3.292 1.00 32.22 H new ATOM 0 HB2 LEU A 8 9.702 -4.673 0.343 1.00 70.45 H new ATOM 0 HB3 LEU A 8 8.059 -4.943 0.892 1.00 70.45 H new ATOM 0 HG LEU A 8 9.589 -2.410 1.583 1.00 43.01 H new ATOM 0 HD11 LEU A 8 8.414 -1.389 -0.357 1.00 50.01 H new ATOM 0 HD12 LEU A 8 9.510 -2.693 -0.875 1.00 50.01 H new ATOM 0 HD13 LEU A 8 7.757 -2.985 -0.792 1.00 50.01 H new ATOM 0 HD21 LEU A 8 7.392 -1.451 1.933 1.00 12.13 H new ATOM 0 HD22 LEU A 8 6.641 -3.026 1.583 1.00 12.13 H new ATOM 0 HD23 LEU A 8 7.695 -2.838 3.005 1.00 12.13 H new ATOM 118 N LEU A 9 10.284 -7.281 1.779 1.00 30.10 N ATOM 119 CA LEU A 9 10.229 -8.740 1.723 1.00 61.43 C ATOM 120 C LEU A 9 10.355 -9.366 3.111 1.00 23.35 C ATOM 121 O LEU A 9 9.986 -10.529 3.280 1.00 11.33 O ATOM 122 CB LEU A 9 11.331 -9.303 0.802 1.00 5.02 C ATOM 123 CG LEU A 9 10.911 -9.585 -0.646 1.00 22.34 C ATOM 124 CD1 LEU A 9 9.641 -10.435 -0.739 1.00 72.42 C ATOM 125 CD2 LEU A 9 10.771 -8.308 -1.466 1.00 43.12 C ATOM 0 H LEU A 9 11.102 -6.878 1.322 1.00 30.10 H new ATOM 0 HA LEU A 9 9.253 -9.002 1.314 1.00 61.43 H new ATOM 0 HB2 LEU A 9 12.162 -8.598 0.789 1.00 5.02 H new ATOM 0 HB3 LEU A 9 11.705 -10.229 1.239 1.00 5.02 H new ATOM 0 HG LEU A 9 11.723 -10.170 -1.079 1.00 22.34 H new ATOM 0 HD11 LEU A 9 9.391 -10.603 -1.787 1.00 72.42 H new ATOM 0 HD12 LEU A 9 9.808 -11.394 -0.248 1.00 72.42 H new ATOM 0 HD13 LEU A 9 8.818 -9.915 -0.249 1.00 72.42 H new ATOM 0 HD21 LEU A 9 10.472 -8.560 -2.484 1.00 43.12 H new ATOM 0 HD22 LEU A 9 10.015 -7.666 -1.014 1.00 43.12 H new ATOM 0 HD23 LEU A 9 11.726 -7.783 -1.488 1.00 43.12 H new ATOM 137 N ASP A 10 10.861 -8.622 4.096 1.00 21.40 N ATOM 138 CA ASP A 10 10.910 -9.050 5.500 1.00 42.51 C ATOM 139 C ASP A 10 9.738 -8.472 6.306 1.00 51.15 C ATOM 140 O ASP A 10 9.407 -8.962 7.387 1.00 65.04 O ATOM 141 CB ASP A 10 12.251 -8.660 6.136 1.00 62.44 C ATOM 142 CG ASP A 10 12.576 -9.586 7.307 1.00 24.20 C ATOM 143 OD1 ASP A 10 13.218 -10.634 7.064 1.00 21.02 O ATOM 144 OD2 ASP A 10 12.199 -9.303 8.468 1.00 1.51 O ATOM 0 H ASP A 10 11.254 -7.693 3.942 1.00 21.40 H new ATOM 0 HA ASP A 10 10.819 -10.136 5.520 1.00 42.51 H new ATOM 0 HB2 ASP A 10 13.044 -8.715 5.390 1.00 62.44 H new ATOM 0 HB3 ASP A 10 12.210 -7.627 6.482 1.00 62.44 H new ATOM 149 N ALA A 11 9.035 -7.473 5.754 1.00 70.25 N ATOM 150 CA ALA A 11 7.936 -6.745 6.384 1.00 61.14 C ATOM 151 C ALA A 11 6.655 -7.582 6.470 1.00 23.01 C ATOM 152 O ALA A 11 5.637 -7.088 6.970 1.00 2.44 O ATOM 153 CB ALA A 11 7.635 -5.451 5.619 1.00 3.54 C ATOM 0 H ALA A 11 9.231 -7.138 4.811 1.00 70.25 H new ATOM 0 HA ALA A 11 8.261 -6.513 7.398 1.00 61.14 H new ATOM 0 HB1 ALA A 11 6.814 -4.924 6.104 1.00 3.54 H new ATOM 0 HB2 ALA A 11 8.521 -4.816 5.615 1.00 3.54 H new ATOM 0 HB3 ALA A 11 7.356 -5.691 4.593 1.00 3.54 H new ATOM 159 N GLY A 12 6.683 -8.820 5.977 1.00 50.53 N ATOM 160 CA GLY A 12 5.543 -9.712 5.967 1.00 25.01 C ATOM 161 C GLY A 12 4.882 -9.832 4.596 1.00 62.23 C ATOM 162 O GLY A 12 3.740 -10.275 4.529 1.00 33.15 O ATOM 0 H GLY A 12 7.521 -9.232 5.566 1.00 50.53 H new ATOM 0 HA2 GLY A 12 5.861 -10.701 6.297 1.00 25.01 H new ATOM 0 HA3 GLY A 12 4.806 -9.357 6.688 1.00 25.01 H new ATOM 166 N LEU A 13 5.544 -9.392 3.516 1.00 52.23 N ATOM 167 CA LEU A 13 4.899 -9.200 2.216 1.00 10.35 C ATOM 168 C LEU A 13 5.424 -10.190 1.167 1.00 74.42 C ATOM 169 O LEU A 13 6.579 -10.618 1.253 1.00 62.23 O ATOM 170 CB LEU A 13 5.113 -7.747 1.753 1.00 22.45 C ATOM 171 CG LEU A 13 4.593 -6.698 2.762 1.00 21.32 C ATOM 172 CD1 LEU A 13 5.130 -5.300 2.449 1.00 11.04 C ATOM 173 CD2 LEU A 13 3.062 -6.668 2.769 1.00 5.45 C ATOM 0 H LEU A 13 6.537 -9.161 3.522 1.00 52.23 H new ATOM 0 HA LEU A 13 3.832 -9.394 2.327 1.00 10.35 H new ATOM 0 HB2 LEU A 13 6.177 -7.581 1.583 1.00 22.45 H new ATOM 0 HB3 LEU A 13 4.611 -7.601 0.797 1.00 22.45 H new ATOM 0 HG LEU A 13 4.954 -6.992 3.748 1.00 21.32 H new ATOM 0 HD11 LEU A 13 4.743 -4.590 3.179 1.00 11.04 H new ATOM 0 HD12 LEU A 13 6.219 -5.310 2.494 1.00 11.04 H new ATOM 0 HD13 LEU A 13 4.811 -5.003 1.450 1.00 11.04 H new ATOM 0 HD21 LEU A 13 2.716 -5.923 3.486 1.00 5.45 H new ATOM 0 HD22 LEU A 13 2.699 -6.411 1.774 1.00 5.45 H new ATOM 0 HD23 LEU A 13 2.680 -7.649 3.052 1.00 5.45 H new ATOM 185 N PRO A 14 4.618 -10.549 0.147 1.00 1.04 N ATOM 186 CA PRO A 14 5.073 -11.362 -0.979 1.00 51.30 C ATOM 187 C PRO A 14 6.012 -10.561 -1.888 1.00 21.43 C ATOM 188 O PRO A 14 5.960 -9.326 -1.928 1.00 52.11 O ATOM 189 CB PRO A 14 3.801 -11.765 -1.733 1.00 24.13 C ATOM 190 CG PRO A 14 2.839 -10.625 -1.427 1.00 71.14 C ATOM 191 CD PRO A 14 3.208 -10.216 -0.005 1.00 34.55 C ATOM 0 HA PRO A 14 5.637 -12.232 -0.643 1.00 51.30 H new ATOM 0 HB2 PRO A 14 3.982 -11.863 -2.803 1.00 24.13 H new ATOM 0 HB3 PRO A 14 3.414 -12.723 -1.386 1.00 24.13 H new ATOM 0 HG2 PRO A 14 2.962 -9.798 -2.127 1.00 71.14 H new ATOM 0 HG3 PRO A 14 1.800 -10.948 -1.494 1.00 71.14 H new ATOM 0 HD2 PRO A 14 3.038 -9.151 0.153 1.00 34.55 H new ATOM 0 HD3 PRO A 14 2.599 -10.748 0.726 1.00 34.55 H new ATOM 199 N GLN A 15 6.806 -11.267 -2.702 1.00 64.33 N ATOM 200 CA GLN A 15 7.725 -10.648 -3.645 1.00 61.44 C ATOM 201 C GLN A 15 6.908 -9.882 -4.673 1.00 31.44 C ATOM 202 O GLN A 15 7.206 -8.730 -4.974 1.00 53.14 O ATOM 203 CB GLN A 15 8.630 -11.729 -4.279 1.00 30.31 C ATOM 204 CG GLN A 15 9.571 -11.162 -5.360 1.00 2.13 C ATOM 205 CD GLN A 15 10.955 -11.828 -5.443 1.00 12.34 C ATOM 206 OE1 GLN A 15 11.267 -12.839 -4.819 1.00 44.01 O ATOM 207 NE2 GLN A 15 11.857 -11.272 -6.230 1.00 64.52 N ATOM 0 H GLN A 15 6.824 -12.287 -2.720 1.00 64.33 H new ATOM 0 HA GLN A 15 8.389 -9.942 -3.146 1.00 61.44 H new ATOM 0 HB2 GLN A 15 9.225 -12.202 -3.498 1.00 30.31 H new ATOM 0 HB3 GLN A 15 8.006 -12.507 -4.719 1.00 30.31 H new ATOM 0 HG2 GLN A 15 9.082 -11.256 -6.330 1.00 2.13 H new ATOM 0 HG3 GLN A 15 9.709 -10.097 -5.175 1.00 2.13 H new ATOM 0 HE21 GLN A 15 11.624 -10.432 -6.759 1.00 64.52 H new ATOM 0 HE22 GLN A 15 12.787 -11.682 -6.309 1.00 64.52 H new ATOM 216 N LYS A 16 5.855 -10.514 -5.190 1.00 62.40 N ATOM 217 CA LYS A 16 5.092 -10.002 -6.315 1.00 21.24 C ATOM 218 C LYS A 16 4.507 -8.617 -6.074 1.00 43.42 C ATOM 219 O LYS A 16 4.468 -7.818 -7.002 1.00 71.33 O ATOM 220 CB LYS A 16 3.984 -11.010 -6.665 1.00 43.30 C ATOM 221 CG LYS A 16 4.468 -12.015 -7.725 1.00 40.22 C ATOM 222 CD LYS A 16 3.910 -11.637 -9.103 1.00 31.42 C ATOM 223 CE LYS A 16 4.870 -11.929 -10.255 1.00 14.44 C ATOM 224 NZ LYS A 16 5.713 -10.761 -10.597 1.00 61.24 N ATOM 0 H LYS A 16 5.509 -11.404 -4.832 1.00 62.40 H new ATOM 0 HA LYS A 16 5.780 -9.885 -7.152 1.00 21.24 H new ATOM 0 HB2 LYS A 16 3.676 -11.544 -5.766 1.00 43.30 H new ATOM 0 HB3 LYS A 16 3.108 -10.478 -7.036 1.00 43.30 H new ATOM 0 HG2 LYS A 16 5.558 -12.027 -7.756 1.00 40.22 H new ATOM 0 HG3 LYS A 16 4.146 -13.021 -7.457 1.00 40.22 H new ATOM 0 HD2 LYS A 16 2.980 -12.180 -9.270 1.00 31.42 H new ATOM 0 HD3 LYS A 16 3.664 -10.575 -9.107 1.00 31.42 H new ATOM 0 HE2 LYS A 16 5.510 -12.770 -9.987 1.00 14.44 H new ATOM 0 HE3 LYS A 16 4.299 -12.231 -11.133 1.00 14.44 H new ATOM 0 HZ1 LYS A 16 6.347 -11.009 -11.383 1.00 61.24 H new ATOM 0 HZ2 LYS A 16 5.106 -9.965 -10.879 1.00 61.24 H new ATOM 0 HZ3 LYS A 16 6.279 -10.487 -9.769 1.00 61.24 H new ATOM 238 N VAL A 17 4.040 -8.337 -4.860 1.00 53.12 N ATOM 239 CA VAL A 17 3.492 -7.040 -4.504 1.00 44.12 C ATOM 240 C VAL A 17 4.667 -6.093 -4.259 1.00 5.21 C ATOM 241 O VAL A 17 4.645 -4.968 -4.756 1.00 50.34 O ATOM 242 CB VAL A 17 2.552 -7.174 -3.290 1.00 50.02 C ATOM 243 CG1 VAL A 17 1.944 -5.822 -2.897 1.00 23.52 C ATOM 244 CG2 VAL A 17 1.393 -8.150 -3.573 1.00 30.23 C ATOM 0 H VAL A 17 4.033 -9.011 -4.094 1.00 53.12 H new ATOM 0 HA VAL A 17 2.880 -6.628 -5.307 1.00 44.12 H new ATOM 0 HB VAL A 17 3.166 -7.556 -2.475 1.00 50.02 H new ATOM 0 HG11 VAL A 17 1.287 -5.955 -2.038 1.00 23.52 H new ATOM 0 HG12 VAL A 17 2.742 -5.125 -2.640 1.00 23.52 H new ATOM 0 HG13 VAL A 17 1.371 -5.424 -3.734 1.00 23.52 H new ATOM 0 HG21 VAL A 17 0.752 -8.218 -2.694 1.00 30.23 H new ATOM 0 HG22 VAL A 17 0.810 -7.787 -4.420 1.00 30.23 H new ATOM 0 HG23 VAL A 17 1.796 -9.136 -3.805 1.00 30.23 H new ATOM 254 N ALA A 18 5.723 -6.535 -3.558 1.00 21.20 N ATOM 255 CA ALA A 18 6.880 -5.691 -3.285 1.00 22.20 C ATOM 256 C ALA A 18 7.474 -5.099 -4.571 1.00 5.40 C ATOM 257 O ALA A 18 7.923 -3.952 -4.564 1.00 10.01 O ATOM 258 CB ALA A 18 7.927 -6.464 -2.479 1.00 2.11 C ATOM 0 H ALA A 18 5.792 -7.477 -3.172 1.00 21.20 H new ATOM 0 HA ALA A 18 6.545 -4.847 -2.682 1.00 22.20 H new ATOM 0 HB1 ALA A 18 8.784 -5.820 -2.284 1.00 2.11 H new ATOM 0 HB2 ALA A 18 7.492 -6.787 -1.533 1.00 2.11 H new ATOM 0 HB3 ALA A 18 8.251 -7.337 -3.046 1.00 2.11 H new ATOM 264 N GLU A 19 7.402 -5.820 -5.695 1.00 30.31 N ATOM 265 CA GLU A 19 7.889 -5.354 -6.993 1.00 62.51 C ATOM 266 C GLU A 19 7.198 -4.089 -7.510 1.00 1.12 C ATOM 267 O GLU A 19 7.778 -3.376 -8.333 1.00 2.44 O ATOM 268 CB GLU A 19 7.697 -6.437 -8.065 1.00 64.33 C ATOM 269 CG GLU A 19 8.550 -7.687 -7.899 1.00 20.53 C ATOM 270 CD GLU A 19 8.567 -8.465 -9.214 1.00 52.00 C ATOM 271 OE1 GLU A 19 7.531 -9.024 -9.643 1.00 54.11 O ATOM 272 OE2 GLU A 19 9.623 -8.455 -9.888 1.00 34.21 O ATOM 0 H GLU A 19 6.998 -6.756 -5.727 1.00 30.31 H new ATOM 0 HA GLU A 19 8.941 -5.125 -6.822 1.00 62.51 H new ATOM 0 HB2 GLU A 19 6.648 -6.733 -8.072 1.00 64.33 H new ATOM 0 HB3 GLU A 19 7.912 -6.000 -9.040 1.00 64.33 H new ATOM 0 HG2 GLU A 19 9.565 -7.413 -7.612 1.00 20.53 H new ATOM 0 HG3 GLU A 19 8.150 -8.311 -7.099 1.00 20.53 H new ATOM 279 N LYS A 20 5.979 -3.789 -7.059 1.00 61.32 N ATOM 280 CA LYS A 20 5.297 -2.525 -7.392 1.00 54.15 C ATOM 281 C LYS A 20 5.301 -1.547 -6.216 1.00 43.33 C ATOM 282 O LYS A 20 4.896 -0.397 -6.381 1.00 53.41 O ATOM 283 CB LYS A 20 3.885 -2.724 -8.004 1.00 30.21 C ATOM 284 CG LYS A 20 3.084 -3.989 -7.652 1.00 24.43 C ATOM 285 CD LYS A 20 3.467 -5.206 -8.502 1.00 33.13 C ATOM 286 CE LYS A 20 2.909 -5.078 -9.920 1.00 73.12 C ATOM 287 NZ LYS A 20 3.620 -5.961 -10.857 1.00 43.12 N ATOM 0 H LYS A 20 5.435 -4.407 -6.456 1.00 61.32 H new ATOM 0 HA LYS A 20 5.886 -2.067 -8.187 1.00 54.15 H new ATOM 0 HB2 LYS A 20 3.280 -1.863 -7.719 1.00 30.21 H new ATOM 0 HB3 LYS A 20 3.991 -2.694 -9.088 1.00 30.21 H new ATOM 0 HG2 LYS A 20 3.238 -4.227 -6.599 1.00 24.43 H new ATOM 0 HG3 LYS A 20 2.021 -3.785 -7.780 1.00 24.43 H new ATOM 0 HD2 LYS A 20 4.552 -5.300 -8.541 1.00 33.13 H new ATOM 0 HD3 LYS A 20 3.084 -6.115 -8.037 1.00 33.13 H new ATOM 0 HE2 LYS A 20 1.847 -5.325 -9.919 1.00 73.12 H new ATOM 0 HE3 LYS A 20 2.995 -4.044 -10.255 1.00 73.12 H new ATOM 0 HZ1 LYS A 20 3.218 -5.851 -11.810 1.00 43.12 H new ATOM 0 HZ2 LYS A 20 4.629 -5.708 -10.875 1.00 43.12 H new ATOM 0 HZ3 LYS A 20 3.516 -6.949 -10.549 1.00 43.12 H new ATOM 301 N LEU A 21 5.777 -1.971 -5.047 1.00 32.50 N ATOM 302 CA LEU A 21 5.619 -1.267 -3.781 1.00 74.55 C ATOM 303 C LEU A 21 6.909 -0.579 -3.358 1.00 2.30 C ATOM 304 O LEU A 21 6.833 0.469 -2.730 1.00 34.43 O ATOM 305 CB LEU A 21 5.079 -2.281 -2.754 1.00 53.12 C ATOM 306 CG LEU A 21 4.288 -1.647 -1.595 1.00 22.40 C ATOM 307 CD1 LEU A 21 3.040 -2.470 -1.216 1.00 25.12 C ATOM 308 CD2 LEU A 21 5.141 -1.540 -0.360 1.00 5.13 C ATOM 0 H LEU A 21 6.300 -2.842 -4.954 1.00 32.50 H new ATOM 0 HA LEU A 21 4.902 -0.451 -3.871 1.00 74.55 H new ATOM 0 HB2 LEU A 21 4.437 -2.995 -3.269 1.00 53.12 H new ATOM 0 HB3 LEU A 21 5.916 -2.844 -2.342 1.00 53.12 H new ATOM 0 HG LEU A 21 3.982 -0.662 -1.948 1.00 22.40 H new ATOM 0 HD11 LEU A 21 2.517 -1.981 -0.394 1.00 25.12 H new ATOM 0 HD12 LEU A 21 2.376 -2.541 -2.077 1.00 25.12 H new ATOM 0 HD13 LEU A 21 3.344 -3.471 -0.908 1.00 25.12 H new ATOM 0 HD21 LEU A 21 4.561 -1.089 0.445 1.00 5.13 H new ATOM 0 HD22 LEU A 21 5.470 -2.534 -0.058 1.00 5.13 H new ATOM 0 HD23 LEU A 21 6.011 -0.919 -0.572 1.00 5.13 H new ATOM 320 N ASP A 22 8.080 -1.084 -3.755 1.00 52.34 N ATOM 321 CA ASP A 22 9.366 -0.411 -3.510 1.00 51.32 C ATOM 322 C ASP A 22 9.399 0.991 -4.146 1.00 24.44 C ATOM 323 O ASP A 22 9.775 1.961 -3.493 1.00 41.42 O ATOM 324 CB ASP A 22 10.493 -1.319 -4.005 1.00 45.31 C ATOM 325 CG ASP A 22 11.845 -0.630 -4.224 1.00 43.31 C ATOM 326 OD1 ASP A 22 12.391 0.010 -3.299 1.00 23.12 O ATOM 327 OD2 ASP A 22 12.402 -0.868 -5.321 1.00 53.23 O ATOM 0 H ASP A 22 8.167 -1.969 -4.255 1.00 52.34 H new ATOM 0 HA ASP A 22 9.503 -0.245 -2.441 1.00 51.32 H new ATOM 0 HB2 ASP A 22 10.628 -2.127 -3.286 1.00 45.31 H new ATOM 0 HB3 ASP A 22 10.182 -1.777 -4.944 1.00 45.31 H new ATOM 332 N GLU A 23 8.884 1.142 -5.370 1.00 22.54 N ATOM 333 CA GLU A 23 8.806 2.411 -6.106 1.00 73.45 C ATOM 334 C GLU A 23 8.049 3.517 -5.363 1.00 32.14 C ATOM 335 O GLU A 23 8.244 4.705 -5.625 1.00 64.14 O ATOM 336 CB GLU A 23 8.096 2.164 -7.451 1.00 63.21 C ATOM 337 CG GLU A 23 9.085 2.112 -8.618 1.00 45.13 C ATOM 338 CD GLU A 23 9.761 3.466 -8.884 1.00 52.42 C ATOM 339 OE1 GLU A 23 9.041 4.488 -8.991 1.00 34.11 O ATOM 340 OE2 GLU A 23 11.004 3.482 -9.031 1.00 14.23 O ATOM 0 H GLU A 23 8.496 0.358 -5.895 1.00 22.54 H new ATOM 0 HA GLU A 23 9.832 2.755 -6.235 1.00 73.45 H new ATOM 0 HB2 GLU A 23 7.542 1.226 -7.402 1.00 63.21 H new ATOM 0 HB3 GLU A 23 7.368 2.955 -7.628 1.00 63.21 H new ATOM 0 HG2 GLU A 23 9.850 1.364 -8.408 1.00 45.13 H new ATOM 0 HG3 GLU A 23 8.562 1.789 -9.518 1.00 45.13 H new ATOM 347 N ILE A 24 7.159 3.134 -4.450 1.00 73.25 N ATOM 348 CA ILE A 24 6.329 4.062 -3.684 1.00 71.33 C ATOM 349 C ILE A 24 7.196 4.775 -2.631 1.00 1.41 C ATOM 350 O ILE A 24 6.844 5.848 -2.137 1.00 5.03 O ATOM 351 CB ILE A 24 5.128 3.282 -3.090 1.00 65.33 C ATOM 352 CG1 ILE A 24 4.427 2.494 -4.226 1.00 14.11 C ATOM 353 CG2 ILE A 24 4.121 4.178 -2.368 1.00 52.35 C ATOM 354 CD1 ILE A 24 3.076 1.853 -3.908 1.00 25.13 C ATOM 0 H ILE A 24 6.991 2.155 -4.218 1.00 73.25 H new ATOM 0 HA ILE A 24 5.914 4.847 -4.316 1.00 71.33 H new ATOM 0 HB ILE A 24 5.522 2.601 -2.335 1.00 65.33 H new ATOM 0 HG12 ILE A 24 4.289 3.171 -5.069 1.00 14.11 H new ATOM 0 HG13 ILE A 24 5.104 1.706 -4.557 1.00 14.11 H new ATOM 0 HG21 ILE A 24 3.307 3.568 -1.977 1.00 52.35 H new ATOM 0 HG22 ILE A 24 4.617 4.693 -1.545 1.00 52.35 H new ATOM 0 HG23 ILE A 24 3.721 4.913 -3.067 1.00 52.35 H new ATOM 0 HD11 ILE A 24 2.702 1.335 -4.791 1.00 25.13 H new ATOM 0 HD12 ILE A 24 3.195 1.140 -3.093 1.00 25.13 H new ATOM 0 HD13 ILE A 24 2.367 2.626 -3.613 1.00 25.13 H new ATOM 366 N TYR A 25 8.365 4.218 -2.325 1.00 23.51 N ATOM 367 CA TYR A 25 9.371 4.793 -1.431 1.00 70.53 C ATOM 368 C TYR A 25 10.506 5.479 -2.187 1.00 73.15 C ATOM 369 O TYR A 25 11.106 6.429 -1.684 1.00 61.33 O ATOM 370 CB TYR A 25 9.909 3.702 -0.527 1.00 24.33 C ATOM 371 CG TYR A 25 8.781 3.044 0.219 1.00 13.20 C ATOM 372 CD1 TYR A 25 8.109 3.752 1.230 1.00 23.22 C ATOM 373 CD2 TYR A 25 8.301 1.800 -0.214 1.00 34.33 C ATOM 374 CE1 TYR A 25 6.989 3.183 1.861 1.00 2.00 C ATOM 375 CE2 TYR A 25 7.166 1.247 0.390 1.00 13.04 C ATOM 376 CZ TYR A 25 6.536 1.909 1.462 1.00 74.11 C ATOM 377 OH TYR A 25 5.513 1.313 2.130 1.00 45.44 O ATOM 0 H TYR A 25 8.651 3.317 -2.708 1.00 23.51 H new ATOM 0 HA TYR A 25 8.890 5.569 -0.835 1.00 70.53 H new ATOM 0 HB2 TYR A 25 10.445 2.960 -1.119 1.00 24.33 H new ATOM 0 HB3 TYR A 25 10.624 4.124 0.179 1.00 24.33 H new ATOM 0 HD1 TYR A 25 8.453 4.733 1.522 1.00 23.22 H new ATOM 0 HD2 TYR A 25 8.805 1.271 -1.010 1.00 34.33 H new ATOM 0 HE1 TYR A 25 6.478 3.719 2.647 1.00 2.00 H new ATOM 0 HE2 TYR A 25 6.771 0.308 0.032 1.00 13.04 H new ATOM 0 HH TYR A 25 4.915 2.000 2.492 1.00 45.44 H new ATOM 387 N VAL A 26 10.784 5.028 -3.409 1.00 42.35 N ATOM 388 CA VAL A 26 11.826 5.602 -4.247 1.00 2.20 C ATOM 389 C VAL A 26 11.554 7.093 -4.498 1.00 63.23 C ATOM 390 O VAL A 26 12.440 7.909 -4.256 1.00 3.10 O ATOM 391 CB VAL A 26 11.963 4.759 -5.531 1.00 70.43 C ATOM 392 CG1 VAL A 26 12.892 5.389 -6.568 1.00 71.45 C ATOM 393 CG2 VAL A 26 12.531 3.368 -5.197 1.00 24.14 C ATOM 0 H VAL A 26 10.288 4.250 -3.844 1.00 42.35 H new ATOM 0 HA VAL A 26 12.792 5.567 -3.743 1.00 2.20 H new ATOM 0 HB VAL A 26 10.959 4.697 -5.951 1.00 70.43 H new ATOM 0 HG11 VAL A 26 12.945 4.747 -7.447 1.00 71.45 H new ATOM 0 HG12 VAL A 26 12.506 6.367 -6.856 1.00 71.45 H new ATOM 0 HG13 VAL A 26 13.889 5.504 -6.142 1.00 71.45 H new ATOM 0 HG21 VAL A 26 12.623 2.783 -6.112 1.00 24.14 H new ATOM 0 HG22 VAL A 26 13.513 3.477 -4.736 1.00 24.14 H new ATOM 0 HG23 VAL A 26 11.860 2.858 -4.506 1.00 24.14 H new ATOM 403 N ALA A 27 10.344 7.456 -4.940 1.00 31.50 N ATOM 404 CA ALA A 27 10.052 8.747 -5.563 1.00 5.01 C ATOM 405 C ALA A 27 9.770 9.872 -4.560 1.00 30.33 C ATOM 406 O ALA A 27 9.457 10.995 -4.966 1.00 62.42 O ATOM 407 CB ALA A 27 8.849 8.579 -6.496 1.00 13.01 C ATOM 0 H ALA A 27 9.528 6.848 -4.872 1.00 31.50 H new ATOM 0 HA ALA A 27 10.946 9.047 -6.110 1.00 5.01 H new ATOM 0 HB1 ALA A 27 8.619 9.534 -6.968 1.00 13.01 H new ATOM 0 HB2 ALA A 27 9.084 7.842 -7.264 1.00 13.01 H new ATOM 0 HB3 ALA A 27 7.987 8.242 -5.921 1.00 13.01 H new ATOM 413 N GLY A 28 9.829 9.600 -3.258 1.00 30.53 N ATOM 414 CA GLY A 28 9.510 10.570 -2.225 1.00 1.23 C ATOM 415 C GLY A 28 8.028 10.945 -2.229 1.00 64.24 C ATOM 416 O GLY A 28 7.674 12.122 -2.156 1.00 30.24 O ATOM 0 H GLY A 28 10.103 8.688 -2.892 1.00 30.53 H new ATOM 0 HA2 GLY A 28 9.778 10.163 -1.250 1.00 1.23 H new ATOM 0 HA3 GLY A 28 10.111 11.467 -2.372 1.00 1.23 H new ATOM 420 N LEU A 29 7.173 9.929 -2.353 1.00 45.33 N ATOM 421 CA LEU A 29 5.744 9.963 -2.089 1.00 74.24 C ATOM 422 C LEU A 29 5.563 9.793 -0.580 1.00 21.10 C ATOM 423 O LEU A 29 5.270 10.769 0.109 1.00 22.42 O ATOM 424 CB LEU A 29 5.011 8.855 -2.872 1.00 12.41 C ATOM 425 CG LEU A 29 5.220 8.948 -4.397 1.00 13.41 C ATOM 426 CD1 LEU A 29 5.589 7.562 -4.928 1.00 30.14 C ATOM 427 CD2 LEU A 29 3.972 9.479 -5.105 1.00 72.35 C ATOM 0 H LEU A 29 7.484 9.007 -2.659 1.00 45.33 H new ATOM 0 HA LEU A 29 5.313 10.908 -2.418 1.00 74.24 H new ATOM 0 HB2 LEU A 29 5.358 7.882 -2.523 1.00 12.41 H new ATOM 0 HB3 LEU A 29 3.944 8.910 -2.654 1.00 12.41 H new ATOM 0 HG LEU A 29 6.027 9.652 -4.600 1.00 13.41 H new ATOM 0 HD11 LEU A 29 5.740 7.614 -6.006 1.00 30.14 H new ATOM 0 HD12 LEU A 29 6.507 7.222 -4.449 1.00 30.14 H new ATOM 0 HD13 LEU A 29 4.784 6.862 -4.707 1.00 30.14 H new ATOM 0 HD21 LEU A 29 4.157 9.531 -6.178 1.00 72.35 H new ATOM 0 HD22 LEU A 29 3.133 8.811 -4.913 1.00 72.35 H new ATOM 0 HD23 LEU A 29 3.736 10.475 -4.729 1.00 72.35 H new ATOM 439 N VAL A 30 5.748 8.571 -0.049 1.00 41.23 N ATOM 440 CA VAL A 30 5.762 8.361 1.414 1.00 44.11 C ATOM 441 C VAL A 30 7.162 8.169 1.997 1.00 1.40 C ATOM 442 O VAL A 30 8.022 7.506 1.412 1.00 11.32 O ATOM 443 CB VAL A 30 4.864 7.196 1.861 1.00 1.14 C ATOM 444 CG1 VAL A 30 3.409 7.656 1.970 1.00 2.32 C ATOM 445 CG2 VAL A 30 5.010 5.965 0.965 1.00 13.11 C ATOM 0 H VAL A 30 5.888 7.724 -0.600 1.00 41.23 H new ATOM 0 HA VAL A 30 5.358 9.291 1.813 1.00 44.11 H new ATOM 0 HB VAL A 30 5.198 6.884 2.851 1.00 1.14 H new ATOM 0 HG11 VAL A 30 2.786 6.820 2.287 1.00 2.32 H new ATOM 0 HG12 VAL A 30 3.336 8.461 2.701 1.00 2.32 H new ATOM 0 HG13 VAL A 30 3.067 8.015 0.999 1.00 2.32 H new ATOM 0 HG21 VAL A 30 4.354 5.173 1.326 1.00 13.11 H new ATOM 0 HG22 VAL A 30 4.737 6.225 -0.058 1.00 13.11 H new ATOM 0 HG23 VAL A 30 6.043 5.619 0.988 1.00 13.11 H new ATOM 455 N ALA A 31 7.316 8.654 3.229 1.00 4.14 N ATOM 456 CA ALA A 31 8.528 8.746 4.034 1.00 72.34 C ATOM 457 C ALA A 31 9.063 7.433 4.615 1.00 70.04 C ATOM 458 O ALA A 31 9.645 7.448 5.700 1.00 70.14 O ATOM 459 CB ALA A 31 8.201 9.719 5.160 1.00 34.22 C ATOM 0 H ALA A 31 6.514 9.029 3.736 1.00 4.14 H new ATOM 0 HA ALA A 31 9.335 9.072 3.378 1.00 72.34 H new ATOM 0 HB1 ALA A 31 9.072 9.835 5.805 1.00 34.22 H new ATOM 0 HB2 ALA A 31 7.931 10.687 4.738 1.00 34.22 H new ATOM 0 HB3 ALA A 31 7.366 9.332 5.744 1.00 34.22 H new ATOM 465 N HIS A 32 8.785 6.303 3.967 1.00 32.11 N ATOM 466 CA HIS A 32 8.920 4.918 4.433 1.00 3.21 C ATOM 467 C HIS A 32 8.195 4.554 5.732 1.00 63.02 C ATOM 468 O HIS A 32 7.866 3.383 5.903 1.00 51.32 O ATOM 469 CB HIS A 32 10.364 4.393 4.370 1.00 10.33 C ATOM 470 CG HIS A 32 11.187 4.673 5.603 1.00 33.14 C ATOM 471 ND1 HIS A 32 11.106 3.980 6.791 1.00 3.22 N ATOM 472 CD2 HIS A 32 12.157 5.628 5.745 1.00 61.31 C ATOM 473 CE1 HIS A 32 11.982 4.530 7.643 1.00 23.41 C ATOM 474 NE2 HIS A 32 12.661 5.526 7.049 1.00 34.13 N ATOM 0 H HIS A 32 8.426 6.334 3.013 1.00 32.11 H new ATOM 0 HA HIS A 32 8.351 4.363 3.687 1.00 3.21 H new ATOM 0 HB2 HIS A 32 10.338 3.316 4.203 1.00 10.33 H new ATOM 0 HB3 HIS A 32 10.861 4.838 3.508 1.00 10.33 H new ATOM 0 HD2 HIS A 32 12.476 6.332 4.990 1.00 61.31 H new ATOM 0 HE1 HIS A 32 12.123 4.216 8.667 1.00 23.41 H new ATOM 0 HE2 HIS A 32 13.398 6.096 7.465 1.00 34.13 H new ATOM 482 N SER A 33 7.848 5.502 6.599 1.00 24.32 N ATOM 483 CA SER A 33 7.183 5.227 7.872 1.00 51.24 C ATOM 484 C SER A 33 5.928 6.088 8.066 1.00 4.30 C ATOM 485 O SER A 33 5.444 6.217 9.185 1.00 70.05 O ATOM 486 CB SER A 33 8.220 5.330 9.002 1.00 62.32 C ATOM 487 OG SER A 33 8.851 6.593 9.052 1.00 1.52 O ATOM 0 H SER A 33 8.022 6.494 6.437 1.00 24.32 H new ATOM 0 HA SER A 33 6.794 4.209 7.883 1.00 51.24 H new ATOM 0 HB2 SER A 33 7.731 5.135 9.957 1.00 62.32 H new ATOM 0 HB3 SER A 33 8.976 4.556 8.867 1.00 62.32 H new ATOM 0 HG SER A 33 9.499 6.606 9.787 1.00 1.52 H new ATOM 493 N ASP A 34 5.407 6.691 6.992 1.00 14.20 N ATOM 494 CA ASP A 34 4.289 7.652 7.013 1.00 12.32 C ATOM 495 C ASP A 34 2.964 7.048 7.505 1.00 24.31 C ATOM 496 O ASP A 34 2.006 7.776 7.749 1.00 5.40 O ATOM 497 CB ASP A 34 4.064 8.187 5.583 1.00 70.12 C ATOM 498 CG ASP A 34 3.868 9.698 5.533 1.00 41.52 C ATOM 499 OD1 ASP A 34 2.881 10.225 6.090 1.00 14.24 O ATOM 500 OD2 ASP A 34 4.738 10.352 4.914 1.00 65.41 O ATOM 0 H ASP A 34 5.761 6.521 6.051 1.00 14.20 H new ATOM 0 HA ASP A 34 4.570 8.439 7.713 1.00 12.32 H new ATOM 0 HB2 ASP A 34 4.918 7.917 4.962 1.00 70.12 H new ATOM 0 HB3 ASP A 34 3.190 7.699 5.152 1.00 70.12 H new ATOM 505 N LEU A 35 2.882 5.715 7.546 1.00 11.43 N ATOM 506 CA LEU A 35 1.650 4.943 7.589 1.00 74.05 C ATOM 507 C LEU A 35 1.186 4.705 9.023 1.00 64.33 C ATOM 508 O LEU A 35 1.937 4.940 9.964 1.00 62.25 O ATOM 509 CB LEU A 35 1.861 3.605 6.862 1.00 41.44 C ATOM 510 CG LEU A 35 2.192 3.699 5.362 1.00 42.34 C ATOM 511 CD1 LEU A 35 1.231 4.616 4.598 1.00 33.02 C ATOM 512 CD2 LEU A 35 3.637 4.114 5.040 1.00 11.43 C ATOM 0 H LEU A 35 3.713 5.124 7.550 1.00 11.43 H new ATOM 0 HA LEU A 35 0.868 5.513 7.086 1.00 74.05 H new ATOM 0 HB2 LEU A 35 2.668 3.067 7.359 1.00 41.44 H new ATOM 0 HB3 LEU A 35 0.959 3.005 6.978 1.00 41.44 H new ATOM 0 HG LEU A 35 2.068 2.671 5.022 1.00 42.34 H new ATOM 0 HD11 LEU A 35 1.514 4.643 3.546 1.00 33.02 H new ATOM 0 HD12 LEU A 35 0.214 4.235 4.691 1.00 33.02 H new ATOM 0 HD13 LEU A 35 1.281 5.623 5.013 1.00 33.02 H new ATOM 0 HD21 LEU A 35 3.772 4.152 3.959 1.00 11.43 H new ATOM 0 HD22 LEU A 35 3.837 5.097 5.466 1.00 11.43 H new ATOM 0 HD23 LEU A 35 4.328 3.387 5.467 1.00 11.43 H new ATOM 524 N ASP A 36 -0.031 4.181 9.188 1.00 52.12 N ATOM 525 CA ASP A 36 -0.587 3.823 10.492 1.00 42.33 C ATOM 526 C ASP A 36 -0.564 2.305 10.637 1.00 51.35 C ATOM 527 O ASP A 36 -0.613 1.578 9.639 1.00 42.15 O ATOM 528 CB ASP A 36 -2.043 4.304 10.662 1.00 64.01 C ATOM 529 CG ASP A 36 -2.315 5.816 10.627 1.00 45.55 C ATOM 530 OD1 ASP A 36 -1.396 6.654 10.474 1.00 52.53 O ATOM 531 OD2 ASP A 36 -3.512 6.188 10.679 1.00 23.42 O ATOM 0 H ASP A 36 -0.664 3.992 8.411 1.00 52.12 H new ATOM 0 HA ASP A 36 0.022 4.310 11.254 1.00 42.33 H new ATOM 0 HB2 ASP A 36 -2.641 3.839 9.878 1.00 64.01 H new ATOM 0 HB3 ASP A 36 -2.412 3.921 11.614 1.00 64.01 H new ATOM 536 N GLU A 37 -0.608 1.837 11.886 1.00 32.03 N ATOM 537 CA GLU A 37 -0.590 0.430 12.297 1.00 52.24 C ATOM 538 C GLU A 37 -1.591 -0.380 11.473 1.00 3.41 C ATOM 539 O GLU A 37 -1.263 -1.444 10.946 1.00 42.54 O ATOM 540 CB GLU A 37 -0.942 0.337 13.794 1.00 5.32 C ATOM 541 CG GLU A 37 -0.958 -1.103 14.339 1.00 32.44 C ATOM 542 CD GLU A 37 -1.839 -1.222 15.585 1.00 45.31 C ATOM 543 OE1 GLU A 37 -3.086 -1.258 15.433 1.00 50.22 O ATOM 544 OE2 GLU A 37 -1.298 -1.319 16.707 1.00 43.22 O ATOM 0 H GLU A 37 -0.660 2.467 12.686 1.00 32.03 H new ATOM 0 HA GLU A 37 0.405 0.019 12.128 1.00 52.24 H new ATOM 0 HB2 GLU A 37 -0.222 0.924 14.364 1.00 5.32 H new ATOM 0 HB3 GLU A 37 -1.921 0.788 13.957 1.00 5.32 H new ATOM 0 HG2 GLU A 37 -1.324 -1.781 13.568 1.00 32.44 H new ATOM 0 HG3 GLU A 37 0.059 -1.413 14.580 1.00 32.44 H new ATOM 551 N ARG A 38 -2.811 0.148 11.336 1.00 12.43 N ATOM 552 CA ARG A 38 -3.900 -0.538 10.654 1.00 42.55 C ATOM 553 C ARG A 38 -3.555 -0.859 9.219 1.00 44.41 C ATOM 554 O ARG A 38 -3.985 -1.890 8.717 1.00 41.44 O ATOM 555 CB ARG A 38 -5.187 0.290 10.683 1.00 3.34 C ATOM 556 CG ARG A 38 -5.591 0.622 12.118 1.00 45.14 C ATOM 557 CD ARG A 38 -7.082 0.938 12.186 1.00 64.15 C ATOM 558 NE ARG A 38 -7.546 1.005 13.575 1.00 72.41 N ATOM 559 CZ ARG A 38 -8.744 1.435 13.971 1.00 71.44 C ATOM 560 NH1 ARG A 38 -9.552 2.059 13.118 1.00 42.31 N ATOM 561 NH2 ARG A 38 -9.136 1.226 15.219 1.00 30.12 N ATOM 0 H ARG A 38 -3.067 1.067 11.698 1.00 12.43 H new ATOM 0 HA ARG A 38 -4.058 -1.471 11.194 1.00 42.55 H new ATOM 0 HB2 ARG A 38 -5.044 1.212 10.119 1.00 3.34 H new ATOM 0 HB3 ARG A 38 -5.990 -0.261 10.194 1.00 3.34 H new ATOM 0 HG2 ARG A 38 -5.360 -0.219 12.772 1.00 45.14 H new ATOM 0 HG3 ARG A 38 -5.014 1.474 12.478 1.00 45.14 H new ATOM 0 HD2 ARG A 38 -7.278 1.887 11.688 1.00 64.15 H new ATOM 0 HD3 ARG A 38 -7.643 0.174 11.649 1.00 64.15 H new ATOM 0 HE ARG A 38 -6.898 0.697 14.299 1.00 72.41 H new ATOM 0 HH11 ARG A 38 -9.256 2.211 12.154 1.00 42.31 H new ATOM 0 HH12 ARG A 38 -10.467 2.385 13.428 1.00 42.31 H new ATOM 0 HH21 ARG A 38 -8.522 0.738 15.871 1.00 30.12 H new ATOM 0 HH22 ARG A 38 -10.052 1.553 15.527 1.00 30.12 H new ATOM 575 N ALA A 39 -2.804 0.014 8.554 1.00 5.34 N ATOM 576 CA ALA A 39 -2.402 -0.225 7.187 1.00 73.02 C ATOM 577 C ALA A 39 -1.313 -1.300 7.134 1.00 51.35 C ATOM 578 O ALA A 39 -1.236 -2.008 6.129 1.00 12.40 O ATOM 579 CB ALA A 39 -1.952 1.086 6.542 1.00 53.45 C ATOM 0 H ALA A 39 -2.465 0.892 8.947 1.00 5.34 H new ATOM 0 HA ALA A 39 -3.251 -0.600 6.615 1.00 73.02 H new ATOM 0 HB1 ALA A 39 -1.650 0.900 5.511 1.00 53.45 H new ATOM 0 HB2 ALA A 39 -2.776 1.800 6.555 1.00 53.45 H new ATOM 0 HB3 ALA A 39 -1.109 1.495 7.099 1.00 53.45 H new ATOM 585 N ILE A 40 -0.470 -1.438 8.164 1.00 62.42 N ATOM 586 CA ILE A 40 0.531 -2.512 8.210 1.00 43.51 C ATOM 587 C ILE A 40 -0.153 -3.860 8.456 1.00 4.12 C ATOM 588 O ILE A 40 0.242 -4.863 7.859 1.00 21.32 O ATOM 589 CB ILE A 40 1.608 -2.259 9.290 1.00 74.15 C ATOM 590 CG1 ILE A 40 2.089 -0.798 9.387 1.00 43.53 C ATOM 591 CG2 ILE A 40 2.807 -3.203 9.053 1.00 13.43 C ATOM 592 CD1 ILE A 40 2.494 -0.144 8.065 1.00 41.51 C ATOM 0 H ILE A 40 -0.460 -0.821 8.976 1.00 62.42 H new ATOM 0 HA ILE A 40 1.035 -2.529 7.244 1.00 43.51 H new ATOM 0 HB ILE A 40 1.132 -2.469 10.248 1.00 74.15 H new ATOM 0 HG12 ILE A 40 1.295 -0.203 9.837 1.00 43.53 H new ATOM 0 HG13 ILE A 40 2.941 -0.760 10.066 1.00 43.53 H new ATOM 0 HG21 ILE A 40 3.566 -3.025 9.814 1.00 13.43 H new ATOM 0 HG22 ILE A 40 2.472 -4.239 9.110 1.00 13.43 H new ATOM 0 HG23 ILE A 40 3.230 -3.013 8.067 1.00 13.43 H new ATOM 0 HD11 ILE A 40 2.815 0.881 8.250 1.00 41.51 H new ATOM 0 HD12 ILE A 40 3.313 -0.706 7.617 1.00 41.51 H new ATOM 0 HD13 ILE A 40 1.642 -0.140 7.385 1.00 41.51 H new ATOM 604 N GLU A 41 -1.148 -3.896 9.346 1.00 73.10 N ATOM 605 CA GLU A 41 -1.936 -5.093 9.582 1.00 34.15 C ATOM 606 C GLU A 41 -2.692 -5.445 8.306 1.00 62.30 C ATOM 607 O GLU A 41 -2.481 -6.529 7.762 1.00 53.13 O ATOM 608 CB GLU A 41 -2.851 -4.917 10.805 1.00 14.23 C ATOM 609 CG GLU A 41 -3.821 -6.101 10.955 1.00 2.52 C ATOM 610 CD GLU A 41 -4.096 -6.440 12.417 1.00 31.05 C ATOM 611 OE1 GLU A 41 -4.943 -5.787 13.064 1.00 44.42 O ATOM 612 OE2 GLU A 41 -3.447 -7.392 12.925 1.00 11.34 O ATOM 0 H GLU A 41 -1.424 -3.097 9.917 1.00 73.10 H new ATOM 0 HA GLU A 41 -1.285 -5.933 9.824 1.00 34.15 H new ATOM 0 HB2 GLU A 41 -2.244 -4.826 11.706 1.00 14.23 H new ATOM 0 HB3 GLU A 41 -3.417 -3.991 10.707 1.00 14.23 H new ATOM 0 HG2 GLU A 41 -4.761 -5.864 10.456 1.00 2.52 H new ATOM 0 HG3 GLU A 41 -3.405 -6.975 10.453 1.00 2.52 H new ATOM 619 N ALA A 42 -3.525 -4.524 7.813 1.00 34.12 N ATOM 620 CA ALA A 42 -4.404 -4.741 6.675 1.00 23.24 C ATOM 621 C ALA A 42 -3.635 -5.263 5.468 1.00 70.32 C ATOM 622 O ALA A 42 -4.123 -6.178 4.813 1.00 21.01 O ATOM 623 CB ALA A 42 -5.148 -3.450 6.324 1.00 22.03 C ATOM 0 H ALA A 42 -3.604 -3.587 8.208 1.00 34.12 H new ATOM 0 HA ALA A 42 -5.133 -5.501 6.955 1.00 23.24 H new ATOM 0 HB1 ALA A 42 -5.802 -3.628 5.470 1.00 22.03 H new ATOM 0 HB2 ALA A 42 -5.745 -3.130 7.178 1.00 22.03 H new ATOM 0 HB3 ALA A 42 -4.427 -2.672 6.073 1.00 22.03 H new ATOM 629 N LEU A 43 -2.428 -4.745 5.208 1.00 14.14 N ATOM 630 CA LEU A 43 -1.526 -5.234 4.168 1.00 50.31 C ATOM 631 C LEU A 43 -1.400 -6.756 4.205 1.00 62.41 C ATOM 632 O LEU A 43 -1.617 -7.401 3.179 1.00 33.22 O ATOM 633 CB LEU A 43 -0.131 -4.610 4.332 1.00 31.24 C ATOM 634 CG LEU A 43 0.168 -3.372 3.476 1.00 61.34 C ATOM 635 CD1 LEU A 43 1.600 -2.959 3.828 1.00 22.32 C ATOM 636 CD2 LEU A 43 0.028 -3.576 1.955 1.00 62.25 C ATOM 0 H LEU A 43 -2.046 -3.956 5.729 1.00 14.14 H new ATOM 0 HA LEU A 43 -1.951 -4.943 3.207 1.00 50.31 H new ATOM 0 HB2 LEU A 43 0.002 -4.341 5.380 1.00 31.24 H new ATOM 0 HB3 LEU A 43 0.613 -5.372 4.102 1.00 31.24 H new ATOM 0 HG LEU A 43 -0.574 -2.607 3.704 1.00 61.34 H new ATOM 0 HD11 LEU A 43 1.877 -2.078 3.249 1.00 22.32 H new ATOM 0 HD12 LEU A 43 1.661 -2.729 4.892 1.00 22.32 H new ATOM 0 HD13 LEU A 43 2.282 -3.776 3.594 1.00 22.32 H new ATOM 0 HD21 LEU A 43 0.260 -2.644 1.440 1.00 62.25 H new ATOM 0 HD22 LEU A 43 0.718 -4.353 1.627 1.00 62.25 H new ATOM 0 HD23 LEU A 43 -0.994 -3.875 1.721 1.00 62.25 H new ATOM 648 N LYS A 44 -1.048 -7.339 5.357 1.00 70.40 N ATOM 649 CA LYS A 44 -0.910 -8.791 5.489 1.00 53.13 C ATOM 650 C LYS A 44 -2.253 -9.508 5.313 1.00 71.02 C ATOM 651 O LYS A 44 -2.282 -10.666 4.906 1.00 71.30 O ATOM 652 CB LYS A 44 -0.315 -9.164 6.859 1.00 12.11 C ATOM 653 CG LYS A 44 1.175 -9.521 6.774 1.00 42.10 C ATOM 654 CD LYS A 44 2.115 -8.341 7.043 1.00 72.22 C ATOM 655 CE LYS A 44 2.367 -8.210 8.552 1.00 3.23 C ATOM 656 NZ LYS A 44 3.481 -7.298 8.874 1.00 63.21 N ATOM 0 H LYS A 44 -0.853 -6.822 6.215 1.00 70.40 H new ATOM 0 HA LYS A 44 -0.235 -9.116 4.697 1.00 53.13 H new ATOM 0 HB2 LYS A 44 -0.447 -8.330 7.548 1.00 12.11 H new ATOM 0 HB3 LYS A 44 -0.865 -10.009 7.273 1.00 12.11 H new ATOM 0 HG2 LYS A 44 1.390 -10.314 7.491 1.00 42.10 H new ATOM 0 HG3 LYS A 44 1.386 -9.922 5.783 1.00 42.10 H new ATOM 0 HD2 LYS A 44 3.059 -8.490 6.519 1.00 72.22 H new ATOM 0 HD3 LYS A 44 1.678 -7.420 6.657 1.00 72.22 H new ATOM 0 HE2 LYS A 44 1.459 -7.851 9.036 1.00 3.23 H new ATOM 0 HE3 LYS A 44 2.580 -9.196 8.966 1.00 3.23 H new ATOM 0 HZ1 LYS A 44 3.925 -7.594 9.767 1.00 63.21 H new ATOM 0 HZ2 LYS A 44 4.186 -7.328 8.110 1.00 63.21 H new ATOM 0 HZ3 LYS A 44 3.118 -6.328 8.973 1.00 63.21 H new ATOM 670 N GLU A 45 -3.368 -8.859 5.644 1.00 2.44 N ATOM 671 CA GLU A 45 -4.693 -9.464 5.565 1.00 13.24 C ATOM 672 C GLU A 45 -5.184 -9.616 4.114 1.00 62.31 C ATOM 673 O GLU A 45 -6.133 -10.367 3.861 1.00 32.23 O ATOM 674 CB GLU A 45 -5.697 -8.649 6.399 1.00 33.32 C ATOM 675 CG GLU A 45 -5.338 -8.525 7.888 1.00 1.31 C ATOM 676 CD GLU A 45 -6.409 -7.806 8.720 1.00 31.34 C ATOM 677 OE1 GLU A 45 -7.213 -7.020 8.161 1.00 62.40 O ATOM 678 OE2 GLU A 45 -6.450 -8.040 9.952 1.00 65.03 O ATOM 0 H GLU A 45 -3.376 -7.895 5.976 1.00 2.44 H new ATOM 0 HA GLU A 45 -4.618 -10.470 5.977 1.00 13.24 H new ATOM 0 HB2 GLU A 45 -5.776 -7.649 5.973 1.00 33.32 H new ATOM 0 HB3 GLU A 45 -6.681 -9.111 6.313 1.00 33.32 H new ATOM 0 HG2 GLU A 45 -5.179 -9.522 8.299 1.00 1.31 H new ATOM 0 HG3 GLU A 45 -4.395 -7.987 7.982 1.00 1.31 H new ATOM 685 N PHE A 46 -4.567 -8.923 3.154 1.00 11.21 N ATOM 686 CA PHE A 46 -4.906 -8.988 1.743 1.00 41.34 C ATOM 687 C PHE A 46 -4.184 -10.138 1.064 1.00 21.54 C ATOM 688 O PHE A 46 -2.976 -10.338 1.210 1.00 62.20 O ATOM 689 CB PHE A 46 -4.566 -7.679 1.024 1.00 13.45 C ATOM 690 CG PHE A 46 -5.645 -6.632 1.166 1.00 74.53 C ATOM 691 CD1 PHE A 46 -6.829 -6.716 0.408 1.00 70.30 C ATOM 692 CD2 PHE A 46 -5.470 -5.574 2.065 1.00 50.33 C ATOM 693 CE1 PHE A 46 -7.808 -5.715 0.523 1.00 61.50 C ATOM 694 CE2 PHE A 46 -6.462 -4.601 2.215 1.00 23.32 C ATOM 695 CZ PHE A 46 -7.616 -4.652 1.421 1.00 42.42 C ATOM 0 H PHE A 46 -3.796 -8.284 3.350 1.00 11.21 H new ATOM 0 HA PHE A 46 -5.982 -9.152 1.680 1.00 41.34 H new ATOM 0 HB2 PHE A 46 -3.630 -7.285 1.421 1.00 13.45 H new ATOM 0 HB3 PHE A 46 -4.403 -7.884 -0.034 1.00 13.45 H new ATOM 0 HD1 PHE A 46 -6.984 -7.549 -0.261 1.00 70.30 H new ATOM 0 HD2 PHE A 46 -4.562 -5.509 2.647 1.00 50.33 H new ATOM 0 HE1 PHE A 46 -8.705 -5.763 -0.077 1.00 61.50 H new ATOM 0 HE2 PHE A 46 -6.340 -3.811 2.941 1.00 23.32 H new ATOM 0 HZ PHE A 46 -8.359 -3.872 1.500 1.00 42.42 H new ATOM 705 N ASN A 47 -4.951 -10.817 0.226 1.00 61.11 N ATOM 706 CA ASN A 47 -4.460 -11.613 -0.883 1.00 53.33 C ATOM 707 C ASN A 47 -3.690 -10.753 -1.857 1.00 61.13 C ATOM 708 O ASN A 47 -3.803 -9.529 -1.870 1.00 45.10 O ATOM 709 CB ASN A 47 -5.607 -12.283 -1.654 1.00 72.32 C ATOM 710 CG ASN A 47 -6.651 -11.302 -2.192 1.00 30.35 C ATOM 711 OD1 ASN A 47 -7.154 -10.438 -1.477 1.00 23.34 O ATOM 712 ND2 ASN A 47 -7.021 -11.391 -3.455 1.00 41.41 N ATOM 0 H ASN A 47 -5.968 -10.828 0.304 1.00 61.11 H new ATOM 0 HA ASN A 47 -3.814 -12.379 -0.454 1.00 53.33 H new ATOM 0 HB2 ASN A 47 -5.190 -12.847 -2.488 1.00 72.32 H new ATOM 0 HB3 ASN A 47 -6.101 -13.001 -0.999 1.00 72.32 H new ATOM 0 HD21 ASN A 47 -7.718 -10.747 -3.829 1.00 41.41 H new ATOM 0 HD22 ASN A 47 -6.610 -12.104 -4.058 1.00 41.41 H new ATOM 719 N GLU A 48 -2.970 -11.442 -2.730 1.00 72.22 N ATOM 720 CA GLU A 48 -2.111 -10.871 -3.727 1.00 51.41 C ATOM 721 C GLU A 48 -2.890 -9.902 -4.615 1.00 70.21 C ATOM 722 O GLU A 48 -2.558 -8.723 -4.672 1.00 12.11 O ATOM 723 CB GLU A 48 -1.518 -12.030 -4.525 1.00 62.34 C ATOM 724 CG GLU A 48 -0.304 -11.505 -5.263 1.00 44.22 C ATOM 725 CD GLU A 48 0.055 -12.368 -6.468 1.00 34.21 C ATOM 726 OE1 GLU A 48 -0.802 -12.551 -7.370 1.00 22.14 O ATOM 727 OE2 GLU A 48 1.210 -12.842 -6.537 1.00 14.12 O ATOM 0 H GLU A 48 -2.977 -12.462 -2.754 1.00 72.22 H new ATOM 0 HA GLU A 48 -1.309 -10.289 -3.272 1.00 51.41 H new ATOM 0 HB2 GLU A 48 -1.238 -12.848 -3.861 1.00 62.34 H new ATOM 0 HB3 GLU A 48 -2.251 -12.426 -5.227 1.00 62.34 H new ATOM 0 HG2 GLU A 48 -0.495 -10.484 -5.593 1.00 44.22 H new ATOM 0 HG3 GLU A 48 0.545 -11.465 -4.581 1.00 44.22 H new ATOM 734 N ASP A 49 -3.949 -10.387 -5.271 1.00 75.52 N ATOM 735 CA ASP A 49 -4.758 -9.566 -6.174 1.00 54.41 C ATOM 736 C ASP A 49 -5.397 -8.391 -5.437 1.00 33.52 C ATOM 737 O ASP A 49 -5.628 -7.332 -6.018 1.00 61.42 O ATOM 738 CB ASP A 49 -5.872 -10.397 -6.806 1.00 14.41 C ATOM 739 CG ASP A 49 -6.447 -9.690 -8.030 1.00 4.45 C ATOM 740 OD1 ASP A 49 -5.818 -9.788 -9.107 1.00 55.44 O ATOM 741 OD2 ASP A 49 -7.519 -9.047 -7.918 1.00 3.21 O ATOM 0 H ASP A 49 -4.267 -11.353 -5.191 1.00 75.52 H new ATOM 0 HA ASP A 49 -4.087 -9.188 -6.946 1.00 54.41 H new ATOM 0 HB2 ASP A 49 -5.484 -11.374 -7.094 1.00 14.41 H new ATOM 0 HB3 ASP A 49 -6.662 -10.570 -6.075 1.00 14.41 H new ATOM 746 N GLY A 50 -5.697 -8.591 -4.150 1.00 41.43 N ATOM 747 CA GLY A 50 -6.142 -7.551 -3.251 1.00 54.04 C ATOM 748 C GLY A 50 -5.083 -6.467 -3.205 1.00 45.33 C ATOM 749 O GLY A 50 -5.314 -5.362 -3.680 1.00 33.41 O ATOM 0 H GLY A 50 -5.632 -9.507 -3.705 1.00 41.43 H new ATOM 0 HA2 GLY A 50 -7.092 -7.138 -3.591 1.00 54.04 H new ATOM 0 HA3 GLY A 50 -6.310 -7.959 -2.254 1.00 54.04 H new ATOM 753 N ALA A 51 -3.911 -6.780 -2.655 1.00 43.24 N ATOM 754 CA ALA A 51 -2.823 -5.830 -2.490 1.00 45.02 C ATOM 755 C ALA A 51 -2.425 -5.141 -3.802 1.00 22.54 C ATOM 756 O ALA A 51 -2.196 -3.937 -3.801 1.00 51.20 O ATOM 757 CB ALA A 51 -1.633 -6.536 -1.843 1.00 44.31 C ATOM 0 H ALA A 51 -3.692 -7.714 -2.308 1.00 43.24 H new ATOM 0 HA ALA A 51 -3.171 -5.030 -1.836 1.00 45.02 H new ATOM 0 HB1 ALA A 51 -0.814 -5.828 -1.717 1.00 44.31 H new ATOM 0 HB2 ALA A 51 -1.927 -6.927 -0.869 1.00 44.31 H new ATOM 0 HB3 ALA A 51 -1.307 -7.358 -2.480 1.00 44.31 H new ATOM 763 N LEU A 52 -2.351 -5.872 -4.914 1.00 72.54 N ATOM 764 CA LEU A 52 -2.022 -5.321 -6.229 1.00 62.44 C ATOM 765 C LEU A 52 -3.021 -4.244 -6.648 1.00 13.31 C ATOM 766 O LEU A 52 -2.623 -3.211 -7.195 1.00 12.34 O ATOM 767 CB LEU A 52 -1.991 -6.440 -7.290 1.00 0.14 C ATOM 768 CG LEU A 52 -0.824 -7.436 -7.147 1.00 12.41 C ATOM 769 CD1 LEU A 52 -1.043 -8.640 -8.069 1.00 40.02 C ATOM 770 CD2 LEU A 52 0.523 -6.792 -7.476 1.00 0.23 C ATOM 0 H LEU A 52 -2.520 -6.878 -4.927 1.00 72.54 H new ATOM 0 HA LEU A 52 -1.035 -4.865 -6.156 1.00 62.44 H new ATOM 0 HB2 LEU A 52 -2.929 -6.993 -7.242 1.00 0.14 H new ATOM 0 HB3 LEU A 52 -1.941 -5.983 -8.278 1.00 0.14 H new ATOM 0 HG LEU A 52 -0.802 -7.758 -6.106 1.00 12.41 H new ATOM 0 HD11 LEU A 52 -0.213 -9.338 -7.960 1.00 40.02 H new ATOM 0 HD12 LEU A 52 -1.974 -9.139 -7.800 1.00 40.02 H new ATOM 0 HD13 LEU A 52 -1.099 -8.301 -9.103 1.00 40.02 H new ATOM 0 HD21 LEU A 52 1.317 -7.530 -7.362 1.00 0.23 H new ATOM 0 HD22 LEU A 52 0.511 -6.428 -8.503 1.00 0.23 H new ATOM 0 HD23 LEU A 52 0.703 -5.958 -6.798 1.00 0.23 H new ATOM 782 N ALA A 53 -4.311 -4.473 -6.399 1.00 42.34 N ATOM 783 CA ALA A 53 -5.345 -3.496 -6.693 1.00 42.40 C ATOM 784 C ALA A 53 -5.296 -2.329 -5.690 1.00 11.25 C ATOM 785 O ALA A 53 -5.328 -1.165 -6.092 1.00 10.40 O ATOM 786 CB ALA A 53 -6.686 -4.227 -6.719 1.00 13.21 C ATOM 0 H ALA A 53 -4.661 -5.339 -5.990 1.00 42.34 H new ATOM 0 HA ALA A 53 -5.188 -3.037 -7.669 1.00 42.40 H new ATOM 0 HB1 ALA A 53 -7.483 -3.517 -6.938 1.00 13.21 H new ATOM 0 HB2 ALA A 53 -6.665 -4.998 -7.489 1.00 13.21 H new ATOM 0 HB3 ALA A 53 -6.868 -4.688 -5.748 1.00 13.21 H new ATOM 792 N VAL A 54 -5.107 -2.621 -4.394 1.00 13.25 N ATOM 793 CA VAL A 54 -4.942 -1.635 -3.311 1.00 34.54 C ATOM 794 C VAL A 54 -3.809 -0.665 -3.646 1.00 34.54 C ATOM 795 O VAL A 54 -3.844 0.494 -3.225 1.00 25.12 O ATOM 796 CB VAL A 54 -4.693 -2.356 -1.958 1.00 11.45 C ATOM 797 CG1 VAL A 54 -4.348 -1.452 -0.774 1.00 71.21 C ATOM 798 CG2 VAL A 54 -5.921 -3.167 -1.508 1.00 11.22 C ATOM 0 H VAL A 54 -5.063 -3.583 -4.058 1.00 13.25 H new ATOM 0 HA VAL A 54 -5.860 -1.055 -3.215 1.00 34.54 H new ATOM 0 HB VAL A 54 -3.829 -2.979 -2.189 1.00 11.45 H new ATOM 0 HG11 VAL A 54 -4.195 -2.061 0.117 1.00 71.21 H new ATOM 0 HG12 VAL A 54 -3.437 -0.896 -0.994 1.00 71.21 H new ATOM 0 HG13 VAL A 54 -5.166 -0.753 -0.599 1.00 71.21 H new ATOM 0 HG21 VAL A 54 -5.706 -3.656 -0.558 1.00 11.22 H new ATOM 0 HG22 VAL A 54 -6.774 -2.499 -1.388 1.00 11.22 H new ATOM 0 HG23 VAL A 54 -6.154 -3.921 -2.259 1.00 11.22 H new ATOM 808 N LEU A 55 -2.815 -1.129 -4.400 1.00 74.31 N ATOM 809 CA LEU A 55 -1.677 -0.348 -4.817 1.00 70.32 C ATOM 810 C LEU A 55 -2.089 0.552 -5.953 1.00 32.43 C ATOM 811 O LEU A 55 -1.878 1.758 -5.855 1.00 44.33 O ATOM 812 CB LEU A 55 -0.523 -1.241 -5.307 1.00 14.10 C ATOM 813 CG LEU A 55 0.376 -1.819 -4.213 1.00 65.22 C ATOM 814 CD1 LEU A 55 1.537 -2.531 -4.918 1.00 21.54 C ATOM 815 CD2 LEU A 55 0.875 -0.675 -3.321 1.00 50.33 C ATOM 0 H LEU A 55 -2.789 -2.089 -4.742 1.00 74.31 H new ATOM 0 HA LEU A 55 -1.333 0.228 -3.958 1.00 70.32 H new ATOM 0 HB2 LEU A 55 -0.945 -2.067 -5.880 1.00 14.10 H new ATOM 0 HB3 LEU A 55 0.096 -0.661 -5.992 1.00 14.10 H new ATOM 0 HG LEU A 55 -0.155 -2.527 -3.576 1.00 65.22 H new ATOM 0 HD11 LEU A 55 2.207 -2.960 -4.173 1.00 21.54 H new ATOM 0 HD12 LEU A 55 1.145 -3.325 -5.554 1.00 21.54 H new ATOM 0 HD13 LEU A 55 2.086 -1.815 -5.529 1.00 21.54 H new ATOM 0 HD21 LEU A 55 1.517 -1.078 -2.538 1.00 50.33 H new ATOM 0 HD22 LEU A 55 1.440 0.036 -3.923 1.00 50.33 H new ATOM 0 HD23 LEU A 55 0.023 -0.169 -2.867 1.00 50.33 H new ATOM 827 N GLN A 56 -2.656 -0.015 -7.020 1.00 34.52 N ATOM 828 CA GLN A 56 -2.985 0.759 -8.200 1.00 33.31 C ATOM 829 C GLN A 56 -3.904 1.911 -7.823 1.00 71.32 C ATOM 830 O GLN A 56 -3.598 3.051 -8.144 1.00 54.34 O ATOM 831 CB GLN A 56 -3.615 -0.129 -9.273 1.00 20.34 C ATOM 832 CG GLN A 56 -3.720 0.627 -10.602 1.00 23.34 C ATOM 833 CD GLN A 56 -4.067 -0.358 -11.703 1.00 41.41 C ATOM 834 OE1 GLN A 56 -3.187 -1.009 -12.265 1.00 71.44 O ATOM 835 NE2 GLN A 56 -5.347 -0.541 -11.978 1.00 21.13 N ATOM 0 H GLN A 56 -2.893 -1.005 -7.083 1.00 34.52 H new ATOM 0 HA GLN A 56 -2.068 1.174 -8.618 1.00 33.31 H new ATOM 0 HB2 GLN A 56 -3.015 -1.029 -9.406 1.00 20.34 H new ATOM 0 HB3 GLN A 56 -4.606 -0.451 -8.952 1.00 20.34 H new ATOM 0 HG2 GLN A 56 -4.484 1.402 -10.535 1.00 23.34 H new ATOM 0 HG3 GLN A 56 -2.778 1.127 -10.827 1.00 23.34 H new ATOM 0 HE21 GLN A 56 -6.056 0.012 -11.497 1.00 21.13 H new ATOM 0 HE22 GLN A 56 -5.625 -1.236 -12.671 1.00 21.13 H new ATOM 844 N GLN A 57 -5.000 1.646 -7.107 1.00 14.11 N ATOM 845 CA GLN A 57 -6.009 2.684 -6.863 1.00 4.32 C ATOM 846 C GLN A 57 -5.549 3.752 -5.870 1.00 14.01 C ATOM 847 O GLN A 57 -6.238 4.752 -5.648 1.00 43.43 O ATOM 848 CB GLN A 57 -7.306 2.038 -6.380 1.00 64.54 C ATOM 849 CG GLN A 57 -8.493 2.546 -7.196 1.00 33.42 C ATOM 850 CD GLN A 57 -9.742 1.714 -6.922 1.00 23.43 C ATOM 851 OE1 GLN A 57 -10.161 0.895 -7.731 1.00 62.13 O ATOM 852 NE2 GLN A 57 -10.347 1.888 -5.761 1.00 70.42 N ATOM 0 H GLN A 57 -5.211 0.739 -6.692 1.00 14.11 H new ATOM 0 HA GLN A 57 -6.174 3.196 -7.811 1.00 4.32 H new ATOM 0 HB2 GLN A 57 -7.234 0.954 -6.468 1.00 64.54 H new ATOM 0 HB3 GLN A 57 -7.460 2.263 -5.325 1.00 64.54 H new ATOM 0 HG2 GLN A 57 -8.687 3.590 -6.951 1.00 33.42 H new ATOM 0 HG3 GLN A 57 -8.252 2.507 -8.258 1.00 33.42 H new ATOM 0 HE21 GLN A 57 -9.988 2.573 -5.096 1.00 70.42 H new ATOM 0 HE22 GLN A 57 -11.173 1.337 -5.529 1.00 70.42 H new ATOM 861 N PHE A 58 -4.399 3.517 -5.263 1.00 14.14 N ATOM 862 CA PHE A 58 -3.707 4.428 -4.378 1.00 63.34 C ATOM 863 C PHE A 58 -2.683 5.253 -5.163 1.00 5.40 C ATOM 864 O PHE A 58 -2.776 6.477 -5.190 1.00 5.41 O ATOM 865 CB PHE A 58 -3.067 3.600 -3.267 1.00 72.22 C ATOM 866 CG PHE A 58 -2.209 4.430 -2.362 1.00 61.11 C ATOM 867 CD1 PHE A 58 -2.804 5.265 -1.402 1.00 62.33 C ATOM 868 CD2 PHE A 58 -0.820 4.426 -2.546 1.00 2.30 C ATOM 869 CE1 PHE A 58 -2.007 6.137 -0.645 1.00 52.23 C ATOM 870 CE2 PHE A 58 -0.030 5.289 -1.786 1.00 64.11 C ATOM 871 CZ PHE A 58 -0.619 6.161 -0.854 1.00 52.35 C ATOM 0 H PHE A 58 -3.898 2.636 -5.383 1.00 14.14 H new ATOM 0 HA PHE A 58 -4.396 5.144 -3.930 1.00 63.34 H new ATOM 0 HB2 PHE A 58 -3.849 3.117 -2.681 1.00 72.22 H new ATOM 0 HB3 PHE A 58 -2.464 2.807 -3.709 1.00 72.22 H new ATOM 0 HD1 PHE A 58 -3.872 5.236 -1.247 1.00 62.33 H new ATOM 0 HD2 PHE A 58 -0.366 3.763 -3.268 1.00 2.30 H new ATOM 0 HE1 PHE A 58 -2.458 6.785 0.093 1.00 52.23 H new ATOM 0 HE2 PHE A 58 1.042 5.287 -1.915 1.00 64.11 H new ATOM 0 HZ PHE A 58 -0.002 6.851 -0.297 1.00 52.35 H new ATOM 881 N LYS A 59 -1.729 4.592 -5.828 1.00 70.13 N ATOM 882 CA LYS A 59 -0.701 5.226 -6.655 1.00 62.22 C ATOM 883 C LYS A 59 -1.337 6.065 -7.770 1.00 22.12 C ATOM 884 O LYS A 59 -0.806 7.130 -8.089 1.00 34.50 O ATOM 885 CB LYS A 59 0.236 4.141 -7.224 1.00 70.13 C ATOM 886 CG LYS A 59 1.551 3.920 -6.457 1.00 25.13 C ATOM 887 CD LYS A 59 2.768 4.585 -7.127 1.00 34.41 C ATOM 888 CE LYS A 59 2.965 6.043 -6.700 1.00 12.31 C ATOM 889 NZ LYS A 59 3.725 6.777 -7.727 1.00 50.14 N ATOM 0 H LYS A 59 -1.650 3.575 -5.804 1.00 70.13 H new ATOM 0 HA LYS A 59 -0.112 5.907 -6.041 1.00 62.22 H new ATOM 0 HB2 LYS A 59 -0.308 3.197 -7.253 1.00 70.13 H new ATOM 0 HB3 LYS A 59 0.478 4.401 -8.254 1.00 70.13 H new ATOM 0 HG2 LYS A 59 1.443 4.311 -5.445 1.00 25.13 H new ATOM 0 HG3 LYS A 59 1.735 2.849 -6.367 1.00 25.13 H new ATOM 0 HD2 LYS A 59 3.665 4.017 -6.883 1.00 34.41 H new ATOM 0 HD3 LYS A 59 2.648 4.542 -8.210 1.00 34.41 H new ATOM 0 HE2 LYS A 59 1.996 6.518 -6.545 1.00 12.31 H new ATOM 0 HE3 LYS A 59 3.495 6.082 -5.748 1.00 12.31 H new ATOM 0 HZ1 LYS A 59 3.852 7.764 -7.426 1.00 50.14 H new ATOM 0 HZ2 LYS A 59 4.656 6.332 -7.854 1.00 50.14 H new ATOM 0 HZ3 LYS A 59 3.204 6.754 -8.627 1.00 50.14 H new ATOM 903 N ASP A 60 -2.487 5.651 -8.302 1.00 54.42 N ATOM 904 CA ASP A 60 -3.346 6.415 -9.210 1.00 53.32 C ATOM 905 C ASP A 60 -4.141 7.467 -8.420 1.00 41.34 C ATOM 906 O ASP A 60 -5.372 7.517 -8.492 1.00 31.20 O ATOM 907 CB ASP A 60 -4.312 5.486 -9.991 1.00 32.51 C ATOM 908 CG ASP A 60 -3.708 4.736 -11.176 1.00 61.55 C ATOM 909 OD1 ASP A 60 -2.539 5.010 -11.532 1.00 61.32 O ATOM 910 OD2 ASP A 60 -4.450 3.975 -11.845 1.00 2.13 O ATOM 0 H ASP A 60 -2.865 4.725 -8.101 1.00 54.42 H new ATOM 0 HA ASP A 60 -2.708 6.918 -9.937 1.00 53.32 H new ATOM 0 HB2 ASP A 60 -4.723 4.755 -9.295 1.00 32.51 H new ATOM 0 HB3 ASP A 60 -5.147 6.085 -10.353 1.00 32.51 H new ATOM 915 N SER A 61 -3.483 8.298 -7.617 1.00 71.11 N ATOM 916 CA SER A 61 -4.047 9.489 -6.987 1.00 3.12 C ATOM 917 C SER A 61 -2.933 10.492 -6.684 1.00 3.11 C ATOM 918 O SER A 61 -1.746 10.206 -6.860 1.00 33.22 O ATOM 919 CB SER A 61 -4.851 9.119 -5.731 1.00 54.34 C ATOM 920 OG SER A 61 -6.065 8.500 -6.119 1.00 23.31 O ATOM 0 H SER A 61 -2.502 8.155 -7.377 1.00 71.11 H new ATOM 0 HA SER A 61 -4.746 9.962 -7.677 1.00 3.12 H new ATOM 0 HB2 SER A 61 -4.272 8.446 -5.099 1.00 54.34 H new ATOM 0 HB3 SER A 61 -5.057 10.012 -5.141 1.00 54.34 H new ATOM 0 HG SER A 61 -6.064 8.357 -7.088 1.00 23.31 H new ATOM 926 N ASP A 62 -3.324 11.695 -6.268 1.00 22.21 N ATOM 927 CA ASP A 62 -2.472 12.870 -6.191 1.00 11.01 C ATOM 928 C ASP A 62 -2.257 13.188 -4.722 1.00 43.35 C ATOM 929 O ASP A 62 -3.135 13.723 -4.048 1.00 30.24 O ATOM 930 CB ASP A 62 -3.115 14.024 -6.960 1.00 4.42 C ATOM 931 CG ASP A 62 -2.254 15.289 -6.999 1.00 64.45 C ATOM 932 OD1 ASP A 62 -1.093 15.257 -6.534 1.00 1.43 O ATOM 933 OD2 ASP A 62 -2.754 16.297 -7.556 1.00 62.14 O ATOM 0 H ASP A 62 -4.280 11.880 -5.965 1.00 22.21 H new ATOM 0 HA ASP A 62 -1.500 12.695 -6.653 1.00 11.01 H new ATOM 0 HB2 ASP A 62 -3.318 13.701 -7.981 1.00 4.42 H new ATOM 0 HB3 ASP A 62 -4.076 14.262 -6.504 1.00 4.42 H new ATOM 938 N LEU A 63 -1.131 12.723 -4.196 1.00 23.34 N ATOM 939 CA LEU A 63 -0.881 12.638 -2.762 1.00 44.23 C ATOM 940 C LEU A 63 -0.242 13.907 -2.196 1.00 22.22 C ATOM 941 O LEU A 63 -0.145 14.012 -0.970 1.00 72.23 O ATOM 942 CB LEU A 63 -0.021 11.402 -2.459 1.00 70.44 C ATOM 943 CG LEU A 63 -0.730 10.069 -2.772 1.00 61.22 C ATOM 944 CD1 LEU A 63 0.278 8.928 -2.676 1.00 12.03 C ATOM 945 CD2 LEU A 63 -1.898 9.776 -1.819 1.00 41.12 C ATOM 0 H LEU A 63 -0.352 12.388 -4.763 1.00 23.34 H new ATOM 0 HA LEU A 63 -1.846 12.538 -2.264 1.00 44.23 H new ATOM 0 HB2 LEU A 63 0.901 11.459 -3.038 1.00 70.44 H new ATOM 0 HB3 LEU A 63 0.263 11.415 -1.407 1.00 70.44 H new ATOM 0 HG LEU A 63 -1.139 10.153 -3.779 1.00 61.22 H new ATOM 0 HD11 LEU A 63 -0.219 7.984 -2.897 1.00 12.03 H new ATOM 0 HD12 LEU A 63 1.082 9.091 -3.394 1.00 12.03 H new ATOM 0 HD13 LEU A 63 0.693 8.893 -1.669 1.00 12.03 H new ATOM 0 HD21 LEU A 63 -2.358 8.825 -2.089 1.00 41.12 H new ATOM 0 HD22 LEU A 63 -1.528 9.723 -0.795 1.00 41.12 H new ATOM 0 HD23 LEU A 63 -2.639 10.572 -1.896 1.00 41.12 H new ATOM 957 N SER A 64 0.134 14.879 -3.037 1.00 65.55 N ATOM 958 CA SER A 64 0.808 16.111 -2.631 1.00 45.14 C ATOM 959 C SER A 64 0.141 16.745 -1.408 1.00 23.31 C ATOM 960 O SER A 64 0.798 16.936 -0.385 1.00 73.31 O ATOM 961 CB SER A 64 0.855 17.097 -3.809 1.00 51.25 C ATOM 962 OG SER A 64 2.160 17.171 -4.350 1.00 63.34 O ATOM 0 H SER A 64 -0.028 14.826 -4.043 1.00 65.55 H new ATOM 0 HA SER A 64 1.829 15.860 -2.342 1.00 45.14 H new ATOM 0 HB2 SER A 64 0.154 16.782 -4.581 1.00 51.25 H new ATOM 0 HB3 SER A 64 0.538 18.085 -3.475 1.00 51.25 H new ATOM 0 HG SER A 64 2.168 17.802 -5.099 1.00 63.34 H new ATOM 968 N HIS A 65 -1.161 17.030 -1.486 1.00 43.15 N ATOM 969 CA HIS A 65 -1.893 17.743 -0.441 1.00 72.21 C ATOM 970 C HIS A 65 -2.718 16.800 0.442 1.00 23.34 C ATOM 971 O HIS A 65 -3.565 17.256 1.214 1.00 1.33 O ATOM 972 CB HIS A 65 -2.780 18.812 -1.086 1.00 32.11 C ATOM 973 CG HIS A 65 -2.076 19.684 -2.093 1.00 51.15 C ATOM 974 ND1 HIS A 65 -2.589 20.049 -3.314 1.00 34.50 N ATOM 975 CD2 HIS A 65 -0.814 20.208 -1.998 1.00 44.35 C ATOM 976 CE1 HIS A 65 -1.660 20.767 -3.954 1.00 61.55 C ATOM 977 NE2 HIS A 65 -0.555 20.882 -3.198 1.00 45.25 N ATOM 0 H HIS A 65 -1.740 16.769 -2.284 1.00 43.15 H new ATOM 0 HA HIS A 65 -1.167 18.220 0.218 1.00 72.21 H new ATOM 0 HB2 HIS A 65 -3.622 18.321 -1.575 1.00 32.11 H new ATOM 0 HB3 HIS A 65 -3.193 19.446 -0.301 1.00 32.11 H new ATOM 0 HD2 HIS A 65 -0.144 20.118 -1.156 1.00 44.35 H new ATOM 0 HE1 HIS A 65 -1.781 21.194 -4.939 1.00 61.55 H new ATOM 0 HE2 HIS A 65 0.306 21.367 -3.450 1.00 45.25 H new ATOM 985 N VAL A 66 -2.528 15.486 0.309 1.00 14.23 N ATOM 986 CA VAL A 66 -3.184 14.510 1.158 1.00 72.43 C ATOM 987 C VAL A 66 -2.504 14.583 2.520 1.00 21.00 C ATOM 988 O VAL A 66 -1.385 14.086 2.692 1.00 41.42 O ATOM 989 CB VAL A 66 -3.131 13.121 0.503 1.00 53.42 C ATOM 990 CG1 VAL A 66 -3.546 12.015 1.475 1.00 14.13 C ATOM 991 CG2 VAL A 66 -4.052 13.110 -0.726 1.00 34.51 C ATOM 0 H VAL A 66 -1.913 15.076 -0.394 1.00 14.23 H new ATOM 0 HA VAL A 66 -4.245 14.718 1.292 1.00 72.43 H new ATOM 0 HB VAL A 66 -2.101 12.923 0.206 1.00 53.42 H new ATOM 0 HG11 VAL A 66 -3.494 11.050 0.971 1.00 14.13 H new ATOM 0 HG12 VAL A 66 -2.873 12.013 2.333 1.00 14.13 H new ATOM 0 HG13 VAL A 66 -4.566 12.193 1.814 1.00 14.13 H new ATOM 0 HG21 VAL A 66 -4.020 12.127 -1.196 1.00 34.51 H new ATOM 0 HG22 VAL A 66 -5.074 13.331 -0.417 1.00 34.51 H new ATOM 0 HG23 VAL A 66 -3.717 13.864 -1.438 1.00 34.51 H new ATOM 1001 N GLN A 67 -3.194 15.206 3.473 1.00 72.41 N ATOM 1002 CA GLN A 67 -2.700 15.448 4.815 1.00 54.51 C ATOM 1003 C GLN A 67 -2.414 14.166 5.592 1.00 63.35 C ATOM 1004 O GLN A 67 -1.526 14.165 6.443 1.00 44.21 O ATOM 1005 CB GLN A 67 -3.651 16.400 5.574 1.00 5.11 C ATOM 1006 CG GLN A 67 -5.032 15.860 5.995 1.00 30.41 C ATOM 1007 CD GLN A 67 -5.928 15.390 4.846 1.00 64.21 C ATOM 1008 OE1 GLN A 67 -5.915 15.932 3.745 1.00 65.22 O ATOM 1009 NE2 GLN A 67 -6.700 14.342 5.070 1.00 54.41 N ATOM 0 H GLN A 67 -4.137 15.564 3.323 1.00 72.41 H new ATOM 0 HA GLN A 67 -1.732 15.940 4.720 1.00 54.51 H new ATOM 0 HB2 GLN A 67 -3.137 16.738 6.473 1.00 5.11 H new ATOM 0 HB3 GLN A 67 -3.812 17.279 4.949 1.00 5.11 H new ATOM 0 HG2 GLN A 67 -4.884 15.027 6.683 1.00 30.41 H new ATOM 0 HG3 GLN A 67 -5.556 16.640 6.547 1.00 30.41 H new ATOM 0 HE21 GLN A 67 -6.704 13.898 5.988 1.00 54.41 H new ATOM 0 HE22 GLN A 67 -7.292 13.976 4.324 1.00 54.41 H new ATOM 1018 N ASN A 68 -3.124 13.077 5.276 1.00 50.44 N ATOM 1019 CA ASN A 68 -2.929 11.772 5.890 1.00 73.12 C ATOM 1020 C ASN A 68 -2.781 10.741 4.796 1.00 25.02 C ATOM 1021 O ASN A 68 -3.768 10.200 4.285 1.00 62.24 O ATOM 1022 CB ASN A 68 -4.088 11.380 6.803 1.00 63.12 C ATOM 1023 CG ASN A 68 -4.069 12.124 8.113 1.00 4.31 C ATOM 1024 OD1 ASN A 68 -3.030 12.384 8.706 1.00 24.21 O ATOM 1025 ND2 ASN A 68 -5.239 12.474 8.583 1.00 73.01 N ATOM 0 H ASN A 68 -3.862 13.085 4.572 1.00 50.44 H new ATOM 0 HA ASN A 68 -2.032 11.820 6.508 1.00 73.12 H new ATOM 0 HB2 ASN A 68 -5.031 11.575 6.292 1.00 63.12 H new ATOM 0 HB3 ASN A 68 -4.047 10.308 6.997 1.00 63.12 H new ATOM 0 HD21 ASN A 68 -5.303 12.978 9.467 1.00 73.01 H new ATOM 0 HD22 ASN A 68 -6.087 12.243 8.065 1.00 73.01 H new ATOM 1032 N LYS A 69 -1.532 10.433 4.466 1.00 54.11 N ATOM 1033 CA LYS A 69 -1.167 9.352 3.562 1.00 62.03 C ATOM 1034 C LYS A 69 -1.791 8.037 4.039 1.00 22.20 C ATOM 1035 O LYS A 69 -2.183 7.199 3.225 1.00 73.02 O ATOM 1036 CB LYS A 69 0.373 9.280 3.504 1.00 21.44 C ATOM 1037 CG LYS A 69 1.054 10.599 3.085 1.00 25.30 C ATOM 1038 CD LYS A 69 0.644 11.025 1.675 1.00 25.21 C ATOM 1039 CE LYS A 69 1.581 12.130 1.165 1.00 51.23 C ATOM 1040 NZ LYS A 69 1.104 13.493 1.482 1.00 10.33 N ATOM 0 H LYS A 69 -0.726 10.942 4.830 1.00 54.11 H new ATOM 0 HA LYS A 69 -1.549 9.535 2.557 1.00 62.03 H new ATOM 0 HB2 LYS A 69 0.749 8.986 4.484 1.00 21.44 H new ATOM 0 HB3 LYS A 69 0.662 8.497 2.804 1.00 21.44 H new ATOM 0 HG2 LYS A 69 0.791 11.385 3.793 1.00 25.30 H new ATOM 0 HG3 LYS A 69 2.137 10.479 3.129 1.00 25.30 H new ATOM 0 HD2 LYS A 69 0.680 10.168 1.003 1.00 25.21 H new ATOM 0 HD3 LYS A 69 -0.385 11.384 1.680 1.00 25.21 H new ATOM 0 HE2 LYS A 69 2.570 11.988 1.601 1.00 51.23 H new ATOM 0 HE3 LYS A 69 1.692 12.033 0.085 1.00 51.23 H new ATOM 0 HZ1 LYS A 69 0.784 13.960 0.610 1.00 10.33 H new ATOM 0 HZ2 LYS A 69 0.313 13.436 2.155 1.00 10.33 H new ATOM 0 HZ3 LYS A 69 1.879 14.043 1.904 1.00 10.33 H new ATOM 1054 N SER A 70 -1.909 7.866 5.351 1.00 72.21 N ATOM 1055 CA SER A 70 -2.489 6.703 6.010 1.00 74.25 C ATOM 1056 C SER A 70 -3.991 6.633 5.790 1.00 5.40 C ATOM 1057 O SER A 70 -4.485 5.584 5.379 1.00 34.00 O ATOM 1058 CB SER A 70 -2.237 6.739 7.512 1.00 64.31 C ATOM 1059 OG SER A 70 -0.882 6.969 7.775 1.00 14.11 O ATOM 0 H SER A 70 -1.587 8.569 6.016 1.00 72.21 H new ATOM 0 HA SER A 70 -2.010 5.828 5.571 1.00 74.25 H new ATOM 0 HB2 SER A 70 -2.841 7.523 7.970 1.00 64.31 H new ATOM 0 HB3 SER A 70 -2.546 5.795 7.962 1.00 64.31 H new ATOM 0 HG SER A 70 -0.794 7.700 8.422 1.00 14.11 H new ATOM 1065 N ALA A 71 -4.721 7.726 6.056 1.00 30.40 N ATOM 1066 CA ALA A 71 -6.167 7.743 5.871 1.00 74.22 C ATOM 1067 C ALA A 71 -6.521 7.415 4.427 1.00 54.21 C ATOM 1068 O ALA A 71 -7.483 6.695 4.165 1.00 2.13 O ATOM 1069 CB ALA A 71 -6.765 9.091 6.284 1.00 44.21 C ATOM 0 H ALA A 71 -4.329 8.603 6.398 1.00 30.40 H new ATOM 0 HA ALA A 71 -6.599 6.979 6.517 1.00 74.22 H new ATOM 0 HB1 ALA A 71 -7.844 9.071 6.134 1.00 44.21 H new ATOM 0 HB2 ALA A 71 -6.548 9.278 7.336 1.00 44.21 H new ATOM 0 HB3 ALA A 71 -6.329 9.884 5.677 1.00 44.21 H new ATOM 1075 N PHE A 72 -5.703 7.902 3.493 1.00 72.23 N ATOM 1076 CA PHE A 72 -5.934 7.652 2.080 1.00 54.33 C ATOM 1077 C PHE A 72 -5.788 6.151 1.808 1.00 10.44 C ATOM 1078 O PHE A 72 -6.686 5.515 1.255 1.00 13.23 O ATOM 1079 CB PHE A 72 -4.974 8.516 1.250 1.00 24.33 C ATOM 1080 CG PHE A 72 -5.458 8.813 -0.156 1.00 32.22 C ATOM 1081 CD1 PHE A 72 -5.521 7.796 -1.125 1.00 42.05 C ATOM 1082 CD2 PHE A 72 -5.875 10.114 -0.494 1.00 62.42 C ATOM 1083 CE1 PHE A 72 -5.981 8.079 -2.422 1.00 42.35 C ATOM 1084 CE2 PHE A 72 -6.339 10.399 -1.788 1.00 14.13 C ATOM 1085 CZ PHE A 72 -6.402 9.379 -2.749 1.00 23.23 C ATOM 0 H PHE A 72 -4.879 8.469 3.694 1.00 72.23 H new ATOM 0 HA PHE A 72 -6.946 7.933 1.788 1.00 54.33 H new ATOM 0 HB2 PHE A 72 -4.809 9.459 1.772 1.00 24.33 H new ATOM 0 HB3 PHE A 72 -4.009 8.012 1.191 1.00 24.33 H new ATOM 0 HD1 PHE A 72 -5.214 6.792 -0.871 1.00 42.05 H new ATOM 0 HD2 PHE A 72 -5.838 10.899 0.247 1.00 62.42 H new ATOM 0 HE1 PHE A 72 -6.011 7.298 -3.167 1.00 42.35 H new ATOM 0 HE2 PHE A 72 -6.647 11.402 -2.043 1.00 14.13 H new ATOM 0 HZ PHE A 72 -6.774 9.593 -3.740 1.00 23.23 H new ATOM 1095 N LEU A 73 -4.665 5.580 2.249 1.00 65.41 N ATOM 1096 CA LEU A 73 -4.247 4.216 1.932 1.00 13.34 C ATOM 1097 C LEU A 73 -5.192 3.210 2.584 1.00 63.11 C ATOM 1098 O LEU A 73 -5.824 2.381 1.927 1.00 5.51 O ATOM 1099 CB LEU A 73 -2.798 4.022 2.422 1.00 73.01 C ATOM 1100 CG LEU A 73 -2.216 2.642 2.072 1.00 42.12 C ATOM 1101 CD1 LEU A 73 -1.828 2.583 0.597 1.00 73.42 C ATOM 1102 CD2 LEU A 73 -0.967 2.352 2.907 1.00 25.01 C ATOM 0 H LEU A 73 -4.004 6.069 2.853 1.00 65.41 H new ATOM 0 HA LEU A 73 -4.286 4.050 0.855 1.00 13.34 H new ATOM 0 HB2 LEU A 73 -2.167 4.796 1.984 1.00 73.01 H new ATOM 0 HB3 LEU A 73 -2.766 4.158 3.503 1.00 73.01 H new ATOM 0 HG LEU A 73 -2.984 1.899 2.286 1.00 42.12 H new ATOM 0 HD11 LEU A 73 -1.418 1.599 0.368 1.00 73.42 H new ATOM 0 HD12 LEU A 73 -2.710 2.761 -0.019 1.00 73.42 H new ATOM 0 HD13 LEU A 73 -1.079 3.346 0.387 1.00 73.42 H new ATOM 0 HD21 LEU A 73 -0.572 1.371 2.643 1.00 25.01 H new ATOM 0 HD22 LEU A 73 -0.212 3.112 2.708 1.00 25.01 H new ATOM 0 HD23 LEU A 73 -1.226 2.366 3.966 1.00 25.01 H new ATOM 1114 N CYS A 74 -5.298 3.295 3.908 1.00 11.12 N ATOM 1115 CA CYS A 74 -6.109 2.384 4.692 1.00 10.24 C ATOM 1116 C CYS A 74 -7.596 2.512 4.321 1.00 64.32 C ATOM 1117 O CYS A 74 -8.357 1.565 4.533 1.00 70.11 O ATOM 1118 CB CYS A 74 -5.896 2.680 6.180 1.00 25.33 C ATOM 1119 SG CYS A 74 -5.974 1.158 7.158 1.00 74.12 S ATOM 0 H CYS A 74 -4.819 4.003 4.464 1.00 11.12 H new ATOM 0 HA CYS A 74 -5.805 1.359 4.478 1.00 10.24 H new ATOM 0 HB2 CYS A 74 -4.929 3.161 6.325 1.00 25.33 H new ATOM 0 HB3 CYS A 74 -6.655 3.380 6.528 1.00 25.33 H new ATOM 0 HG CYS A 74 -6.946 0.412 6.723 1.00 74.12 H new ATOM 1125 N GLY A 75 -8.004 3.653 3.754 1.00 10.34 N ATOM 1126 CA GLY A 75 -9.360 3.872 3.286 1.00 13.14 C ATOM 1127 C GLY A 75 -9.629 3.115 1.987 1.00 25.00 C ATOM 1128 O GLY A 75 -10.608 2.375 1.916 1.00 14.30 O ATOM 0 H GLY A 75 -7.388 4.453 3.610 1.00 10.34 H new ATOM 0 HA2 GLY A 75 -10.067 3.549 4.050 1.00 13.14 H new ATOM 0 HA3 GLY A 75 -9.525 4.938 3.129 1.00 13.14 H new ATOM 1132 N VAL A 76 -8.738 3.219 0.991 1.00 22.21 N ATOM 1133 CA VAL A 76 -8.803 2.438 -0.250 1.00 4.43 C ATOM 1134 C VAL A 76 -8.849 0.943 0.083 1.00 13.23 C ATOM 1135 O VAL A 76 -9.692 0.227 -0.454 1.00 74.11 O ATOM 1136 CB VAL A 76 -7.622 2.838 -1.168 1.00 62.21 C ATOM 1137 CG1 VAL A 76 -7.342 1.859 -2.321 1.00 32.42 C ATOM 1138 CG2 VAL A 76 -7.846 4.236 -1.765 1.00 22.11 C ATOM 0 H VAL A 76 -7.942 3.856 1.026 1.00 22.21 H new ATOM 0 HA VAL A 76 -9.717 2.656 -0.803 1.00 4.43 H new ATOM 0 HB VAL A 76 -6.750 2.820 -0.514 1.00 62.21 H new ATOM 0 HG11 VAL A 76 -6.499 2.221 -2.909 1.00 32.42 H new ATOM 0 HG12 VAL A 76 -7.105 0.876 -1.914 1.00 32.42 H new ATOM 0 HG13 VAL A 76 -8.224 1.785 -2.958 1.00 32.42 H new ATOM 0 HG21 VAL A 76 -7.004 4.497 -2.407 1.00 22.11 H new ATOM 0 HG22 VAL A 76 -8.764 4.238 -2.352 1.00 22.11 H new ATOM 0 HG23 VAL A 76 -7.929 4.966 -0.960 1.00 22.11 H new ATOM 1148 N MET A 77 -8.003 0.468 1.008 1.00 13.12 N ATOM 1149 CA MET A 77 -8.078 -0.897 1.534 1.00 24.32 C ATOM 1150 C MET A 77 -9.493 -1.231 1.999 1.00 52.13 C ATOM 1151 O MET A 77 -10.044 -2.261 1.612 1.00 42.44 O ATOM 1152 CB MET A 77 -7.131 -1.062 2.727 1.00 64.23 C ATOM 1153 CG MET A 77 -5.666 -1.132 2.333 1.00 51.55 C ATOM 1154 SD MET A 77 -4.558 -0.967 3.755 1.00 4.30 S ATOM 1155 CE MET A 77 -2.975 -1.129 2.908 1.00 5.20 C ATOM 0 H MET A 77 -7.248 1.022 1.411 1.00 13.12 H new ATOM 0 HA MET A 77 -7.791 -1.571 0.727 1.00 24.32 H new ATOM 0 HB2 MET A 77 -7.275 -0.227 3.413 1.00 64.23 H new ATOM 0 HB3 MET A 77 -7.397 -1.970 3.269 1.00 64.23 H new ATOM 0 HG2 MET A 77 -5.472 -2.081 1.834 1.00 51.55 H new ATOM 0 HG3 MET A 77 -5.448 -0.343 1.613 1.00 51.55 H new ATOM 0 HE1 MET A 77 -2.166 -0.894 3.600 1.00 5.20 H new ATOM 0 HE2 MET A 77 -2.858 -2.151 2.547 1.00 5.20 H new ATOM 0 HE3 MET A 77 -2.942 -0.440 2.064 1.00 5.20 H new ATOM 1165 N LYS A 78 -10.075 -0.369 2.835 1.00 24.44 N ATOM 1166 CA LYS A 78 -11.366 -0.618 3.450 1.00 41.52 C ATOM 1167 C LYS A 78 -12.418 -0.898 2.381 1.00 23.34 C ATOM 1168 O LYS A 78 -13.097 -1.921 2.470 1.00 73.23 O ATOM 1169 CB LYS A 78 -11.735 0.561 4.374 1.00 61.40 C ATOM 1170 CG LYS A 78 -12.476 0.078 5.623 1.00 25.41 C ATOM 1171 CD LYS A 78 -11.549 -0.693 6.583 1.00 70.20 C ATOM 1172 CE LYS A 78 -12.219 -1.945 7.165 1.00 43.53 C ATOM 1173 NZ LYS A 78 -11.240 -2.999 7.519 1.00 34.35 N ATOM 0 H LYS A 78 -9.657 0.523 3.101 1.00 24.44 H new ATOM 0 HA LYS A 78 -11.319 -1.511 4.074 1.00 41.52 H new ATOM 0 HB2 LYS A 78 -10.830 1.092 4.668 1.00 61.40 H new ATOM 0 HB3 LYS A 78 -12.359 1.271 3.830 1.00 61.40 H new ATOM 0 HG2 LYS A 78 -12.905 0.934 6.143 1.00 25.41 H new ATOM 0 HG3 LYS A 78 -13.306 -0.564 5.327 1.00 25.41 H new ATOM 0 HD2 LYS A 78 -10.642 -0.983 6.053 1.00 70.20 H new ATOM 0 HD3 LYS A 78 -11.246 -0.035 7.397 1.00 70.20 H new ATOM 0 HE2 LYS A 78 -12.788 -1.669 8.053 1.00 43.53 H new ATOM 0 HE3 LYS A 78 -12.930 -2.342 6.441 1.00 43.53 H new ATOM 0 HZ1 LYS A 78 -11.742 -3.823 7.907 1.00 34.35 H new ATOM 0 HZ2 LYS A 78 -10.714 -3.284 6.668 1.00 34.35 H new ATOM 0 HZ3 LYS A 78 -10.576 -2.631 8.230 1.00 34.35 H new ATOM 1187 N THR A 79 -12.510 -0.060 1.347 1.00 31.04 N ATOM 1188 CA THR A 79 -13.422 -0.292 0.235 1.00 23.23 C ATOM 1189 C THR A 79 -13.076 -1.596 -0.489 1.00 32.13 C ATOM 1190 O THR A 79 -13.971 -2.390 -0.761 1.00 5.31 O ATOM 1191 CB THR A 79 -13.376 0.874 -0.770 1.00 4.34 C ATOM 1192 OG1 THR A 79 -12.726 2.040 -0.291 1.00 21.43 O ATOM 1193 CG2 THR A 79 -14.775 1.258 -1.231 1.00 42.12 C ATOM 0 H THR A 79 -11.956 0.792 1.260 1.00 31.04 H new ATOM 0 HA THR A 79 -14.428 -0.366 0.648 1.00 23.23 H new ATOM 0 HB THR A 79 -12.783 0.491 -1.601 1.00 4.34 H new ATOM 0 HG1 THR A 79 -12.738 2.730 -0.987 1.00 21.43 H new ATOM 0 HG21 THR A 79 -14.711 2.084 -1.940 1.00 42.12 H new ATOM 0 HG22 THR A 79 -15.247 0.402 -1.713 1.00 42.12 H new ATOM 0 HG23 THR A 79 -15.370 1.564 -0.371 1.00 42.12 H new ATOM 1201 N TYR A 80 -11.796 -1.842 -0.797 1.00 41.33 N ATOM 1202 CA TYR A 80 -11.368 -3.005 -1.575 1.00 12.15 C ATOM 1203 C TYR A 80 -11.869 -4.305 -0.970 1.00 2.04 C ATOM 1204 O TYR A 80 -12.474 -5.128 -1.657 1.00 45.03 O ATOM 1205 CB TYR A 80 -9.835 -3.060 -1.688 1.00 73.13 C ATOM 1206 CG TYR A 80 -9.358 -2.566 -3.022 1.00 52.04 C ATOM 1207 CD1 TYR A 80 -9.694 -3.304 -4.166 1.00 5.03 C ATOM 1208 CD2 TYR A 80 -8.622 -1.377 -3.132 1.00 62.20 C ATOM 1209 CE1 TYR A 80 -9.335 -2.835 -5.430 1.00 25.23 C ATOM 1210 CE2 TYR A 80 -8.255 -0.900 -4.399 1.00 42.22 C ATOM 1211 CZ TYR A 80 -8.630 -1.622 -5.555 1.00 41.03 C ATOM 1212 OH TYR A 80 -8.294 -1.171 -6.786 1.00 50.32 O ATOM 0 H TYR A 80 -11.027 -1.236 -0.511 1.00 41.33 H new ATOM 0 HA TYR A 80 -11.802 -2.893 -2.568 1.00 12.15 H new ATOM 0 HB2 TYR A 80 -9.390 -2.457 -0.896 1.00 73.13 H new ATOM 0 HB3 TYR A 80 -9.496 -4.085 -1.537 1.00 73.13 H new ATOM 0 HD1 TYR A 80 -10.231 -4.236 -4.069 1.00 5.03 H new ATOM 0 HD2 TYR A 80 -8.339 -0.831 -2.244 1.00 62.20 H new ATOM 0 HE1 TYR A 80 -9.597 -3.401 -6.311 1.00 25.23 H new ATOM 0 HE2 TYR A 80 -7.688 0.015 -4.491 1.00 42.22 H new ATOM 0 HH TYR A 80 -7.318 -1.146 -6.870 1.00 50.32 H new ATOM 1222 N ARG A 81 -11.597 -4.495 0.321 1.00 52.21 N ATOM 1223 CA ARG A 81 -11.962 -5.706 1.041 1.00 34.31 C ATOM 1224 C ARG A 81 -13.488 -5.831 1.197 1.00 11.45 C ATOM 1225 O ARG A 81 -13.969 -6.870 1.648 1.00 10.43 O ATOM 1226 CB ARG A 81 -11.236 -5.666 2.392 1.00 25.43 C ATOM 1227 CG ARG A 81 -11.085 -7.038 3.068 1.00 71.14 C ATOM 1228 CD ARG A 81 -11.044 -6.893 4.593 1.00 11.52 C ATOM 1229 NE ARG A 81 -12.337 -6.420 5.125 1.00 50.33 N ATOM 1230 CZ ARG A 81 -13.412 -7.169 5.383 1.00 43.10 C ATOM 1231 NH1 ARG A 81 -13.399 -8.473 5.127 1.00 64.22 N ATOM 1232 NH2 ARG A 81 -14.498 -6.600 5.893 1.00 3.25 N ATOM 0 H ARG A 81 -11.114 -3.806 0.897 1.00 52.21 H new ATOM 0 HA ARG A 81 -11.657 -6.592 0.485 1.00 34.31 H new ATOM 0 HB2 ARG A 81 -10.246 -5.234 2.247 1.00 25.43 H new ATOM 0 HB3 ARG A 81 -11.778 -5.001 3.064 1.00 25.43 H new ATOM 0 HG2 ARG A 81 -11.916 -7.683 2.782 1.00 71.14 H new ATOM 0 HG3 ARG A 81 -10.172 -7.521 2.720 1.00 71.14 H new ATOM 0 HD2 ARG A 81 -10.793 -7.853 5.044 1.00 11.52 H new ATOM 0 HD3 ARG A 81 -10.256 -6.193 4.872 1.00 11.52 H new ATOM 0 HE ARG A 81 -12.417 -5.421 5.315 1.00 50.33 H new ATOM 0 HH11 ARG A 81 -12.565 -8.907 4.731 1.00 64.22 H new ATOM 0 HH12 ARG A 81 -14.223 -9.040 5.326 1.00 64.22 H new ATOM 0 HH21 ARG A 81 -14.507 -5.598 6.085 1.00 3.25 H new ATOM 0 HH22 ARG A 81 -15.324 -7.165 6.093 1.00 3.25 H new ATOM 1246 N GLN A 82 -14.261 -4.796 0.860 1.00 22.02 N ATOM 1247 CA GLN A 82 -15.707 -4.735 0.956 1.00 4.41 C ATOM 1248 C GLN A 82 -16.306 -4.128 -0.317 1.00 1.14 C ATOM 1249 O GLN A 82 -17.019 -3.120 -0.301 1.00 43.50 O ATOM 1250 CB GLN A 82 -16.068 -3.941 2.215 1.00 32.41 C ATOM 1251 CG GLN A 82 -16.192 -4.837 3.448 1.00 2.55 C ATOM 1252 CD GLN A 82 -17.426 -5.724 3.387 1.00 73.10 C ATOM 1253 OE1 GLN A 82 -17.389 -6.855 2.912 1.00 71.40 O ATOM 1254 NE2 GLN A 82 -18.552 -5.246 3.865 1.00 1.31 N ATOM 0 H GLN A 82 -13.863 -3.932 0.492 1.00 22.02 H new ATOM 0 HA GLN A 82 -16.132 -5.735 1.042 1.00 4.41 H new ATOM 0 HB2 GLN A 82 -15.306 -3.182 2.395 1.00 32.41 H new ATOM 0 HB3 GLN A 82 -17.009 -3.416 2.054 1.00 32.41 H new ATOM 0 HG2 GLN A 82 -15.302 -5.460 3.534 1.00 2.55 H new ATOM 0 HG3 GLN A 82 -16.235 -4.217 4.344 1.00 2.55 H new ATOM 0 HE21 GLN A 82 -18.580 -4.306 4.259 1.00 1.31 H new ATOM 0 HE22 GLN A 82 -19.398 -5.815 3.842 1.00 1.31 H new ATOM 1263 N ARG A 83 -16.099 -4.795 -1.448 1.00 33.44 N ATOM 1264 CA ARG A 83 -16.835 -4.511 -2.681 1.00 61.12 C ATOM 1265 C ARG A 83 -18.209 -5.184 -2.626 1.00 14.02 C ATOM 1266 O ARG A 83 -18.620 -5.905 -3.541 1.00 53.10 O ATOM 1267 CB ARG A 83 -16.000 -4.849 -3.932 1.00 30.35 C ATOM 1268 CG ARG A 83 -15.140 -3.669 -4.417 1.00 12.43 C ATOM 1269 CD ARG A 83 -15.089 -3.626 -5.952 1.00 10.41 C ATOM 1270 NE ARG A 83 -14.281 -4.707 -6.539 1.00 25.53 N ATOM 1271 CZ ARG A 83 -14.470 -5.259 -7.745 1.00 64.51 C ATOM 1272 NH1 ARG A 83 -15.644 -5.189 -8.365 1.00 11.31 N ATOM 1273 NH2 ARG A 83 -13.470 -5.891 -8.339 1.00 74.50 N ATOM 0 H ARG A 83 -15.417 -5.548 -1.538 1.00 33.44 H new ATOM 0 HA ARG A 83 -17.020 -3.440 -2.765 1.00 61.12 H new ATOM 0 HB2 ARG A 83 -15.352 -5.697 -3.711 1.00 30.35 H new ATOM 0 HB3 ARG A 83 -16.668 -5.159 -4.735 1.00 30.35 H new ATOM 0 HG2 ARG A 83 -15.550 -2.734 -4.036 1.00 12.43 H new ATOM 0 HG3 ARG A 83 -14.130 -3.761 -4.017 1.00 12.43 H new ATOM 0 HD2 ARG A 83 -16.104 -3.687 -6.344 1.00 10.41 H new ATOM 0 HD3 ARG A 83 -14.682 -2.665 -6.268 1.00 10.41 H new ATOM 0 HE ARG A 83 -13.509 -5.068 -5.978 1.00 25.53 H new ATOM 0 HH11 ARG A 83 -16.426 -4.707 -7.923 1.00 11.31 H new ATOM 0 HH12 ARG A 83 -15.762 -5.618 -9.283 1.00 11.31 H new ATOM 0 HH21 ARG A 83 -12.562 -5.956 -7.878 1.00 74.50 H new ATOM 0 HH22 ARG A 83 -13.607 -6.313 -9.257 1.00 74.50 H new ATOM 1287 N GLU A 84 -18.949 -4.900 -1.558 1.00 25.24 N ATOM 1288 CA GLU A 84 -20.402 -4.891 -1.560 1.00 62.21 C ATOM 1289 C GLU A 84 -20.867 -3.478 -1.934 1.00 70.41 C ATOM 1290 O GLU A 84 -20.053 -2.619 -2.303 1.00 30.54 O ATOM 1291 CB GLU A 84 -20.942 -5.411 -0.219 1.00 31.31 C ATOM 1292 CG GLU A 84 -20.632 -4.530 0.999 1.00 73.23 C ATOM 1293 CD GLU A 84 -21.201 -5.139 2.285 1.00 44.22 C ATOM 1294 OE1 GLU A 84 -21.177 -6.382 2.443 1.00 11.41 O ATOM 1295 OE2 GLU A 84 -21.591 -4.378 3.196 1.00 12.44 O ATOM 0 H GLU A 84 -18.544 -4.666 -0.652 1.00 25.24 H new ATOM 0 HA GLU A 84 -20.810 -5.573 -2.306 1.00 62.21 H new ATOM 0 HB2 GLU A 84 -22.023 -5.523 -0.300 1.00 31.31 H new ATOM 0 HB3 GLU A 84 -20.531 -6.405 -0.042 1.00 31.31 H new ATOM 0 HG2 GLU A 84 -19.553 -4.409 1.098 1.00 73.23 H new ATOM 0 HG3 GLU A 84 -21.052 -3.536 0.848 1.00 73.23 H new ATOM 1302 N LYS A 85 -22.175 -3.249 -1.901 1.00 65.30 N ATOM 1303 CA LYS A 85 -22.845 -2.070 -2.409 1.00 43.00 C ATOM 1304 C LYS A 85 -23.901 -1.748 -1.398 1.00 74.01 C ATOM 1305 O LYS A 85 -23.727 -0.745 -0.692 1.00 31.44 O ATOM 1306 CB LYS A 85 -23.473 -2.380 -3.766 1.00 11.05 C ATOM 1307 CG LYS A 85 -22.470 -2.334 -4.909 1.00 43.31 C ATOM 1308 CD LYS A 85 -22.133 -0.923 -5.411 1.00 14.23 C ATOM 1309 CE LYS A 85 -23.351 -0.131 -5.917 1.00 45.42 C ATOM 1310 NZ LYS A 85 -24.266 -0.908 -6.786 1.00 70.33 N ATOM 0 H LYS A 85 -22.827 -3.921 -1.496 1.00 65.30 H new ATOM 0 HA LYS A 85 -22.162 -1.233 -2.553 1.00 43.00 H new ATOM 0 HB2 LYS A 85 -23.931 -3.369 -3.731 1.00 11.05 H new ATOM 0 HB3 LYS A 85 -24.272 -1.665 -3.962 1.00 11.05 H new ATOM 0 HG2 LYS A 85 -21.549 -2.819 -4.586 1.00 43.31 H new ATOM 0 HG3 LYS A 85 -22.862 -2.917 -5.742 1.00 43.31 H new ATOM 0 HD2 LYS A 85 -21.660 -0.365 -4.603 1.00 14.23 H new ATOM 0 HD3 LYS A 85 -21.402 -1.000 -6.216 1.00 14.23 H new ATOM 0 HE2 LYS A 85 -23.911 0.239 -5.058 1.00 45.42 H new ATOM 0 HE3 LYS A 85 -22.999 0.741 -6.468 1.00 45.42 H new ATOM 0 HZ1 LYS A 85 -25.031 -0.290 -7.125 1.00 70.33 H new ATOM 0 HZ2 LYS A 85 -23.737 -1.283 -7.600 1.00 70.33 H new ATOM 0 HZ3 LYS A 85 -24.673 -1.697 -6.244 1.00 70.33 H new TER 1324 LYS A 85