USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 683 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 85 ASN : amide:sc= -0.586 X(o=-0.25,f=-0.69) USER MOD Set 1.2: A 87 LYS NZ :NH3+ -174:sc= 0.338 (180deg=0) USER MOD Set 2.1: A 19 LYS NZ :NH3+ -169:sc= 0.484 (180deg=-0.0792) USER MOD Set 2.2: A 93 TYR OH : rot 180:sc= 0.538 USER MOD Set 3.1: A 4 GLN : amide:sc= -1.47 K(o=-2.2,f=-3) USER MOD Set 3.2: A 5 ASN : amide:sc= -0.717 K(o=-2.2,f=-3.5) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00264 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0415 X(o=-0.041,f=-0.37) USER MOD Single : A 35 THR OG1 : rot 137:sc= 1.31 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -170:sc=-0.000921 (180deg=-0.0554) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.25) USER MOD Single : A 61 ASN : amide:sc= -1.92 K(o=-1.9,f=-11!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.2) USER MOD Single : A 82 MET CE :methyl -170:sc= 0 (180deg=-0.0748) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot -113:sc= -0.0275 USER MOD Single : A 90 LYS NZ :NH3+ 169:sc=-0.00746 (180deg=-0.18) USER MOD Single : A 91 SER OG : rot 130:sc= -0.997 USER MOD Single : A 92 ASN :FLIP amide:sc= -0.501 F(o=-2,f=-0.5) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.915 F(o=-1.4,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 3.649 -1.533 -0.822 1.00 44.43 N ATOM 9 CA SER A 2 4.878 -2.253 -0.512 1.00 72.33 C ATOM 10 C SER A 2 4.617 -3.754 -0.409 1.00 1.41 C ATOM 11 O SER A 2 4.182 -4.248 0.630 1.00 71.34 O ATOM 12 CB SER A 2 5.480 -1.739 0.796 1.00 44.52 C ATOM 13 OG SER A 2 6.462 -2.631 1.292 1.00 60.10 O ATOM 0 HA SER A 2 5.586 -2.079 -1.322 1.00 72.33 H new ATOM 0 HB2 SER A 2 5.925 -0.757 0.634 1.00 44.52 H new ATOM 0 HB3 SER A 2 4.691 -1.613 1.538 1.00 44.52 H new ATOM 0 HG SER A 2 6.832 -2.278 2.128 1.00 60.10 H new ATOM 19 N ALA A 3 4.886 -4.470 -1.495 1.00 73.44 N ATOM 20 CA ALA A 3 4.683 -5.913 -1.527 1.00 20.33 C ATOM 21 C ALA A 3 3.280 -6.281 -1.058 1.00 2.21 C ATOM 22 O ALA A 3 3.100 -6.794 0.046 1.00 73.02 O ATOM 23 CB ALA A 3 5.728 -6.613 -0.672 1.00 44.43 C ATOM 0 H ALA A 3 5.245 -4.075 -2.364 1.00 73.44 H new ATOM 0 HA ALA A 3 4.792 -6.247 -2.559 1.00 20.33 H new ATOM 0 HB1 ALA A 3 5.564 -7.690 -0.706 1.00 44.43 H new ATOM 0 HB2 ALA A 3 6.723 -6.386 -1.055 1.00 44.43 H new ATOM 0 HB3 ALA A 3 5.647 -6.266 0.358 1.00 44.43 H new ATOM 29 N GLN A 4 2.288 -6.013 -1.902 1.00 71.23 N ATOM 30 CA GLN A 4 0.901 -6.315 -1.570 1.00 33.35 C ATOM 31 C GLN A 4 0.516 -7.709 -2.056 1.00 62.25 C ATOM 32 O GLN A 4 0.892 -8.121 -3.153 1.00 41.23 O ATOM 33 CB GLN A 4 -0.032 -5.272 -2.189 1.00 31.11 C ATOM 34 CG GLN A 4 -1.503 -5.523 -1.898 1.00 50.44 C ATOM 35 CD GLN A 4 -1.749 -5.943 -0.463 1.00 24.14 C ATOM 36 OE1 GLN A 4 -1.124 -5.428 0.465 1.00 31.54 O ATOM 37 NE2 GLN A 4 -2.668 -6.885 -0.271 1.00 51.54 N ATOM 0 H GLN A 4 2.419 -5.588 -2.820 1.00 71.23 H new ATOM 0 HA GLN A 4 0.799 -6.287 -0.485 1.00 33.35 H new ATOM 0 HB2 GLN A 4 0.241 -4.285 -1.815 1.00 31.11 H new ATOM 0 HB3 GLN A 4 0.119 -5.257 -3.268 1.00 31.11 H new ATOM 0 HG2 GLN A 4 -2.071 -4.617 -2.110 1.00 50.44 H new ATOM 0 HG3 GLN A 4 -1.875 -6.298 -2.568 1.00 50.44 H new ATOM 0 HE21 GLN A 4 -3.163 -7.285 -1.068 1.00 51.54 H new ATOM 0 HE22 GLN A 4 -2.878 -7.207 0.674 1.00 51.54 H new ATOM 46 N ASN A 5 -0.234 -8.431 -1.230 1.00 21.34 N ATOM 47 CA ASN A 5 -0.669 -9.780 -1.575 1.00 61.43 C ATOM 48 C ASN A 5 -1.932 -9.743 -2.431 1.00 42.13 C ATOM 49 O ASN A 5 -2.962 -9.212 -2.013 1.00 53.15 O ATOM 50 CB ASN A 5 -0.924 -10.596 -0.306 1.00 13.01 C ATOM 51 CG ASN A 5 -2.101 -10.071 0.493 1.00 1.11 C ATOM 52 OD1 ASN A 5 -1.966 -9.125 1.269 1.00 21.35 O ATOM 53 ND2 ASN A 5 -3.263 -10.685 0.306 1.00 32.20 N ATOM 0 H ASN A 5 -0.553 -8.105 -0.318 1.00 21.34 H new ATOM 0 HA ASN A 5 0.125 -10.254 -2.151 1.00 61.43 H new ATOM 0 HB2 ASN A 5 -1.107 -11.636 -0.577 1.00 13.01 H new ATOM 0 HB3 ASN A 5 -0.030 -10.582 0.317 1.00 13.01 H new ATOM 0 HD21 ASN A 5 -4.091 -10.376 0.816 1.00 32.20 H new ATOM 0 HD22 ASN A 5 -3.328 -11.465 -0.348 1.00 32.20 H new ATOM 60 N ILE A 6 -1.846 -10.311 -3.628 1.00 55.53 N ATOM 61 CA ILE A 6 -2.981 -10.343 -4.542 1.00 55.13 C ATOM 62 C ILE A 6 -3.284 -11.769 -4.990 1.00 5.51 C ATOM 63 O ILE A 6 -2.432 -12.447 -5.565 1.00 4.22 O ATOM 64 CB ILE A 6 -2.729 -9.470 -5.785 1.00 42.30 C ATOM 65 CG1 ILE A 6 -2.561 -8.004 -5.379 1.00 65.14 C ATOM 66 CG2 ILE A 6 -3.872 -9.621 -6.778 1.00 55.12 C ATOM 67 CD1 ILE A 6 -3.755 -7.440 -4.642 1.00 64.15 C ATOM 0 H ILE A 6 -1.002 -10.756 -3.988 1.00 55.53 H new ATOM 0 HA ILE A 6 -3.837 -9.945 -3.997 1.00 55.13 H new ATOM 0 HB ILE A 6 -1.809 -9.803 -6.265 1.00 42.30 H new ATOM 0 HG12 ILE A 6 -1.677 -7.909 -4.748 1.00 65.14 H new ATOM 0 HG13 ILE A 6 -2.380 -7.406 -6.273 1.00 65.14 H new ATOM 0 HG21 ILE A 6 -3.680 -8.998 -7.651 1.00 55.12 H new ATOM 0 HG22 ILE A 6 -3.951 -10.664 -7.086 1.00 55.12 H new ATOM 0 HG23 ILE A 6 -4.805 -9.310 -6.309 1.00 55.12 H new ATOM 0 HD11 ILE A 6 -3.565 -6.398 -4.386 1.00 64.15 H new ATOM 0 HD12 ILE A 6 -4.638 -7.502 -5.278 1.00 64.15 H new ATOM 0 HD13 ILE A 6 -3.924 -8.013 -3.730 1.00 64.15 H new ATOM 79 N THR A 7 -4.507 -12.219 -4.723 1.00 33.35 N ATOM 80 CA THR A 7 -4.924 -13.564 -5.099 1.00 1.23 C ATOM 81 C THR A 7 -5.654 -13.559 -6.438 1.00 55.03 C ATOM 82 O THR A 7 -6.452 -12.665 -6.718 1.00 61.14 O ATOM 83 CB THR A 7 -5.842 -14.187 -4.030 1.00 1.52 C ATOM 84 OG1 THR A 7 -6.893 -13.274 -3.694 1.00 3.22 O ATOM 85 CG2 THR A 7 -5.052 -14.541 -2.779 1.00 64.40 C ATOM 0 H THR A 7 -5.225 -11.672 -4.248 1.00 33.35 H new ATOM 0 HA THR A 7 -4.018 -14.164 -5.184 1.00 1.23 H new ATOM 0 HB THR A 7 -6.272 -15.101 -4.440 1.00 1.52 H new ATOM 0 HG1 THR A 7 -7.473 -13.678 -3.015 1.00 3.22 H new ATOM 0 HG21 THR A 7 -5.721 -14.979 -2.038 1.00 64.40 H new ATOM 0 HG22 THR A 7 -4.271 -15.258 -3.032 1.00 64.40 H new ATOM 0 HG23 THR A 7 -4.597 -13.639 -2.369 1.00 64.40 H new ATOM 93 N ALA A 8 -5.375 -14.564 -7.262 1.00 40.00 N ATOM 94 CA ALA A 8 -6.007 -14.676 -8.571 1.00 64.53 C ATOM 95 C ALA A 8 -6.166 -16.138 -8.980 1.00 45.32 C ATOM 96 O ALA A 8 -5.571 -17.030 -8.374 1.00 10.34 O ATOM 97 CB ALA A 8 -5.199 -13.920 -9.613 1.00 1.43 C ATOM 0 H ALA A 8 -4.716 -15.312 -7.046 1.00 40.00 H new ATOM 0 HA ALA A 8 -7.001 -14.233 -8.507 1.00 64.53 H new ATOM 0 HB1 ALA A 8 -5.682 -14.012 -10.586 1.00 1.43 H new ATOM 0 HB2 ALA A 8 -5.141 -12.868 -9.335 1.00 1.43 H new ATOM 0 HB3 ALA A 8 -4.193 -14.337 -9.667 1.00 1.43 H new ATOM 103 N ARG A 9 -6.972 -16.374 -10.009 1.00 60.41 N ATOM 104 CA ARG A 9 -7.211 -17.727 -10.497 1.00 51.21 C ATOM 105 C ARG A 9 -6.873 -17.836 -11.981 1.00 25.44 C ATOM 106 O ARG A 9 -7.009 -16.870 -12.731 1.00 54.31 O ATOM 107 CB ARG A 9 -8.669 -18.127 -10.263 1.00 70.20 C ATOM 108 CG ARG A 9 -8.866 -19.031 -9.057 1.00 44.14 C ATOM 109 CD ARG A 9 -9.898 -18.460 -8.096 1.00 2.22 C ATOM 110 NE ARG A 9 -11.244 -18.947 -8.386 1.00 72.22 N ATOM 111 CZ ARG A 9 -12.341 -18.454 -7.823 1.00 61.24 C ATOM 112 NH1 ARG A 9 -12.252 -17.465 -6.944 1.00 33.10 N ATOM 113 NH2 ARG A 9 -13.531 -18.951 -8.138 1.00 40.54 N ATOM 0 H ARG A 9 -7.471 -15.646 -10.521 1.00 60.41 H new ATOM 0 HA ARG A 9 -6.563 -18.406 -9.943 1.00 51.21 H new ATOM 0 HB2 ARG A 9 -9.268 -17.226 -10.133 1.00 70.20 H new ATOM 0 HB3 ARG A 9 -9.045 -18.634 -11.152 1.00 70.20 H new ATOM 0 HG2 ARG A 9 -9.184 -20.019 -9.390 1.00 44.14 H new ATOM 0 HG3 ARG A 9 -7.916 -19.160 -8.538 1.00 44.14 H new ATOM 0 HD2 ARG A 9 -9.628 -18.727 -7.074 1.00 2.22 H new ATOM 0 HD3 ARG A 9 -9.886 -17.372 -8.155 1.00 2.22 H new ATOM 0 HE ARG A 9 -11.347 -19.708 -9.058 1.00 72.22 H new ATOM 0 HH11 ARG A 9 -11.339 -17.081 -6.699 1.00 33.10 H new ATOM 0 HH12 ARG A 9 -13.096 -17.088 -6.513 1.00 33.10 H new ATOM 0 HH21 ARG A 9 -13.603 -19.712 -8.813 1.00 40.54 H new ATOM 0 HH22 ARG A 9 -14.373 -18.572 -7.705 1.00 40.54 H new ATOM 127 N ILE A 10 -6.435 -19.020 -12.397 1.00 10.44 N ATOM 128 CA ILE A 10 -6.080 -19.255 -13.791 1.00 62.42 C ATOM 129 C ILE A 10 -7.224 -18.873 -14.722 1.00 3.14 C ATOM 130 O ILE A 10 -8.326 -19.409 -14.622 1.00 25.41 O ATOM 131 CB ILE A 10 -5.705 -20.729 -14.035 1.00 11.44 C ATOM 132 CG1 ILE A 10 -4.493 -21.117 -13.187 1.00 53.55 C ATOM 133 CG2 ILE A 10 -5.423 -20.966 -15.511 1.00 22.15 C ATOM 134 CD1 ILE A 10 -4.271 -22.611 -13.096 1.00 3.30 C ATOM 0 H ILE A 10 -6.318 -19.831 -11.789 1.00 10.44 H new ATOM 0 HA ILE A 10 -5.215 -18.627 -14.006 1.00 62.42 H new ATOM 0 HB ILE A 10 -6.546 -21.356 -13.740 1.00 11.44 H new ATOM 0 HG12 ILE A 10 -3.602 -20.651 -13.607 1.00 53.55 H new ATOM 0 HG13 ILE A 10 -4.620 -20.715 -12.182 1.00 53.55 H new ATOM 0 HG21 ILE A 10 -5.159 -22.012 -15.668 1.00 22.15 H new ATOM 0 HG22 ILE A 10 -6.311 -20.724 -16.095 1.00 22.15 H new ATOM 0 HG23 ILE A 10 -4.596 -20.332 -15.830 1.00 22.15 H new ATOM 0 HD11 ILE A 10 -3.395 -22.812 -12.479 1.00 3.30 H new ATOM 0 HD12 ILE A 10 -5.146 -23.082 -12.648 1.00 3.30 H new ATOM 0 HD13 ILE A 10 -4.112 -23.017 -14.095 1.00 3.30 H new ATOM 146 N GLY A 11 -6.955 -17.940 -15.632 1.00 42.05 N ATOM 147 CA GLY A 11 -7.972 -17.503 -16.570 1.00 54.43 C ATOM 148 C GLY A 11 -8.823 -16.376 -16.018 1.00 34.13 C ATOM 149 O GLY A 11 -9.810 -15.977 -16.634 1.00 52.10 O ATOM 0 H GLY A 11 -6.051 -17.480 -15.735 1.00 42.05 H new ATOM 0 HA2 GLY A 11 -7.494 -17.175 -17.493 1.00 54.43 H new ATOM 0 HA3 GLY A 11 -8.613 -18.347 -16.826 1.00 54.43 H new ATOM 153 N GLU A 12 -8.440 -15.863 -14.853 1.00 4.13 N ATOM 154 CA GLU A 12 -9.178 -14.777 -14.218 1.00 73.23 C ATOM 155 C GLU A 12 -8.464 -13.444 -14.418 1.00 73.31 C ATOM 156 O GLU A 12 -7.237 -13.353 -14.362 1.00 22.12 O ATOM 157 CB GLU A 12 -9.352 -15.055 -12.723 1.00 23.11 C ATOM 158 CG GLU A 12 -10.122 -16.331 -12.427 1.00 21.13 C ATOM 159 CD GLU A 12 -11.312 -16.520 -13.347 1.00 33.54 C ATOM 160 OE1 GLU A 12 -12.220 -15.663 -13.328 1.00 34.53 O ATOM 161 OE2 GLU A 12 -11.335 -17.527 -14.086 1.00 24.14 O ATOM 0 H GLU A 12 -7.624 -16.181 -14.330 1.00 4.13 H new ATOM 0 HA GLU A 12 -10.160 -14.717 -14.686 1.00 73.23 H new ATOM 0 HB2 GLU A 12 -8.369 -15.118 -12.257 1.00 23.11 H new ATOM 0 HB3 GLU A 12 -9.870 -14.213 -12.263 1.00 23.11 H new ATOM 0 HG2 GLU A 12 -9.453 -17.186 -12.524 1.00 21.13 H new ATOM 0 HG3 GLU A 12 -10.466 -16.312 -11.393 1.00 21.13 H new ATOM 168 N PRO A 13 -9.249 -12.384 -14.660 1.00 52.33 N ATOM 169 CA PRO A 13 -8.714 -11.035 -14.874 1.00 61.11 C ATOM 170 C PRO A 13 -8.127 -10.436 -13.602 1.00 45.31 C ATOM 171 O PRO A 13 -8.631 -10.671 -12.502 1.00 33.32 O ATOM 172 CB PRO A 13 -9.938 -10.236 -15.328 1.00 52.14 C ATOM 173 CG PRO A 13 -11.101 -10.965 -14.748 1.00 4.44 C ATOM 174 CD PRO A 13 -10.718 -12.419 -14.742 1.00 43.42 C ATOM 0 HA PRO A 13 -7.895 -11.030 -15.593 1.00 61.11 H new ATOM 0 HB2 PRO A 13 -9.896 -9.208 -14.968 1.00 52.14 H new ATOM 0 HB3 PRO A 13 -10.001 -10.191 -16.415 1.00 52.14 H new ATOM 0 HG2 PRO A 13 -11.317 -10.614 -13.739 1.00 4.44 H new ATOM 0 HG3 PRO A 13 -12.000 -10.801 -15.342 1.00 4.44 H new ATOM 0 HD2 PRO A 13 -11.155 -12.946 -13.894 1.00 43.42 H new ATOM 0 HD3 PRO A 13 -11.058 -12.928 -15.644 1.00 43.42 H new ATOM 182 N LEU A 14 -7.062 -9.658 -13.755 1.00 14.44 N ATOM 183 CA LEU A 14 -6.406 -9.022 -12.618 1.00 63.23 C ATOM 184 C LEU A 14 -5.926 -7.620 -12.979 1.00 1.12 C ATOM 185 O LEU A 14 -5.468 -7.377 -14.095 1.00 71.51 O ATOM 186 CB LEU A 14 -5.226 -9.871 -12.145 1.00 72.34 C ATOM 187 CG LEU A 14 -4.630 -9.496 -10.786 1.00 14.34 C ATOM 188 CD1 LEU A 14 -5.569 -9.902 -9.662 1.00 21.32 C ATOM 189 CD2 LEU A 14 -3.266 -10.144 -10.606 1.00 71.33 C ATOM 0 H LEU A 14 -6.633 -9.452 -14.657 1.00 14.44 H new ATOM 0 HA LEU A 14 -7.134 -8.940 -11.811 1.00 63.23 H new ATOM 0 HB2 LEU A 14 -5.547 -10.912 -12.104 1.00 72.34 H new ATOM 0 HB3 LEU A 14 -4.437 -9.810 -12.895 1.00 72.34 H new ATOM 0 HG LEU A 14 -4.503 -8.414 -10.751 1.00 14.34 H new ATOM 0 HD11 LEU A 14 -5.129 -9.628 -8.703 1.00 21.32 H new ATOM 0 HD12 LEU A 14 -6.524 -9.390 -9.783 1.00 21.32 H new ATOM 0 HD13 LEU A 14 -5.729 -10.980 -9.693 1.00 21.32 H new ATOM 0 HD21 LEU A 14 -2.857 -9.867 -9.635 1.00 71.33 H new ATOM 0 HD22 LEU A 14 -3.368 -11.228 -10.661 1.00 71.33 H new ATOM 0 HD23 LEU A 14 -2.594 -9.802 -11.393 1.00 71.33 H new ATOM 201 N VAL A 15 -6.033 -6.699 -12.025 1.00 34.44 N ATOM 202 CA VAL A 15 -5.607 -5.322 -12.242 1.00 23.21 C ATOM 203 C VAL A 15 -4.532 -4.916 -11.239 1.00 23.23 C ATOM 204 O VAL A 15 -4.530 -5.373 -10.096 1.00 71.02 O ATOM 205 CB VAL A 15 -6.792 -4.344 -12.131 1.00 15.24 C ATOM 206 CG1 VAL A 15 -6.374 -2.947 -12.563 1.00 72.05 C ATOM 207 CG2 VAL A 15 -7.967 -4.837 -12.963 1.00 25.33 C ATOM 0 H VAL A 15 -6.411 -6.882 -11.095 1.00 34.44 H new ATOM 0 HA VAL A 15 -5.197 -5.272 -13.251 1.00 23.21 H new ATOM 0 HB VAL A 15 -7.106 -4.298 -11.088 1.00 15.24 H new ATOM 0 HG11 VAL A 15 -7.224 -2.270 -12.478 1.00 72.05 H new ATOM 0 HG12 VAL A 15 -5.565 -2.595 -11.923 1.00 72.05 H new ATOM 0 HG13 VAL A 15 -6.033 -2.973 -13.598 1.00 72.05 H new ATOM 0 HG21 VAL A 15 -8.796 -4.135 -12.874 1.00 25.33 H new ATOM 0 HG22 VAL A 15 -7.666 -4.913 -14.008 1.00 25.33 H new ATOM 0 HG23 VAL A 15 -8.281 -5.817 -12.604 1.00 25.33 H new ATOM 217 N LEU A 16 -3.621 -4.054 -11.675 1.00 11.13 N ATOM 218 CA LEU A 16 -2.540 -3.583 -10.816 1.00 61.35 C ATOM 219 C LEU A 16 -2.423 -2.064 -10.870 1.00 52.24 C ATOM 220 O LEU A 16 -2.702 -1.444 -11.896 1.00 11.12 O ATOM 221 CB LEU A 16 -1.215 -4.224 -11.235 1.00 44.45 C ATOM 222 CG LEU A 16 -1.063 -5.715 -10.929 1.00 2.44 C ATOM 223 CD1 LEU A 16 -0.070 -6.357 -11.885 1.00 13.03 C ATOM 224 CD2 LEU A 16 -0.628 -5.923 -9.486 1.00 4.42 C ATOM 0 H LEU A 16 -3.609 -3.667 -12.618 1.00 11.13 H new ATOM 0 HA LEU A 16 -2.770 -3.874 -9.791 1.00 61.35 H new ATOM 0 HB2 LEU A 16 -1.088 -4.079 -12.308 1.00 44.45 H new ATOM 0 HB3 LEU A 16 -0.404 -3.688 -10.743 1.00 44.45 H new ATOM 0 HG LEU A 16 -2.032 -6.195 -11.067 1.00 2.44 H new ATOM 0 HD11 LEU A 16 0.025 -7.418 -11.652 1.00 13.03 H new ATOM 0 HD12 LEU A 16 -0.424 -6.241 -12.909 1.00 13.03 H new ATOM 0 HD13 LEU A 16 0.901 -5.874 -11.779 1.00 13.03 H new ATOM 0 HD21 LEU A 16 -0.525 -6.990 -9.287 1.00 4.42 H new ATOM 0 HD22 LEU A 16 0.329 -5.429 -9.320 1.00 4.42 H new ATOM 0 HD23 LEU A 16 -1.376 -5.499 -8.816 1.00 4.42 H new ATOM 236 N LYS A 17 -2.006 -1.468 -9.758 1.00 53.03 N ATOM 237 CA LYS A 17 -1.847 -0.021 -9.678 1.00 13.42 C ATOM 238 C LYS A 17 -0.378 0.359 -9.524 1.00 32.44 C ATOM 239 O LYS A 17 0.423 -0.419 -9.005 1.00 73.21 O ATOM 240 CB LYS A 17 -2.654 0.537 -8.503 1.00 43.52 C ATOM 241 CG LYS A 17 -3.182 1.942 -8.740 1.00 23.54 C ATOM 242 CD LYS A 17 -4.371 2.248 -7.845 1.00 71.13 C ATOM 243 CE LYS A 17 -5.594 1.435 -8.242 1.00 53.54 C ATOM 244 NZ LYS A 17 -6.859 2.181 -7.999 1.00 73.13 N ATOM 0 H LYS A 17 -1.772 -1.966 -8.899 1.00 53.03 H new ATOM 0 HA LYS A 17 -2.220 0.411 -10.606 1.00 13.42 H new ATOM 0 HB2 LYS A 17 -3.493 -0.128 -8.301 1.00 43.52 H new ATOM 0 HB3 LYS A 17 -2.027 0.539 -7.611 1.00 43.52 H new ATOM 0 HG2 LYS A 17 -2.389 2.666 -8.554 1.00 23.54 H new ATOM 0 HG3 LYS A 17 -3.474 2.051 -9.785 1.00 23.54 H new ATOM 0 HD2 LYS A 17 -4.112 2.034 -6.808 1.00 71.13 H new ATOM 0 HD3 LYS A 17 -4.606 3.311 -7.902 1.00 71.13 H new ATOM 0 HE2 LYS A 17 -5.526 1.169 -9.297 1.00 53.54 H new ATOM 0 HE3 LYS A 17 -5.609 0.502 -7.678 1.00 53.54 H new ATOM 0 HZ1 LYS A 17 -7.669 1.593 -8.282 1.00 73.13 H new ATOM 0 HZ2 LYS A 17 -6.936 2.413 -6.988 1.00 73.13 H new ATOM 0 HZ3 LYS A 17 -6.857 3.059 -8.557 1.00 73.13 H new ATOM 258 N CYS A 18 -0.030 1.558 -9.979 1.00 2.51 N ATOM 259 CA CYS A 18 1.342 2.041 -9.892 1.00 3.31 C ATOM 260 C CYS A 18 1.478 3.101 -8.803 1.00 43.40 C ATOM 261 O CYS A 18 1.126 4.265 -9.005 1.00 71.34 O ATOM 262 CB CYS A 18 1.789 2.616 -11.237 1.00 52.34 C ATOM 263 SG CYS A 18 3.548 2.336 -11.618 1.00 74.32 S ATOM 0 H CYS A 18 -0.681 2.213 -10.412 1.00 2.51 H new ATOM 0 HA CYS A 18 1.982 1.197 -9.635 1.00 3.31 H new ATOM 0 HB2 CYS A 18 1.182 2.175 -12.028 1.00 52.34 H new ATOM 0 HB3 CYS A 18 1.593 3.688 -11.245 1.00 52.34 H new ATOM 268 N LYS A 19 1.990 2.693 -7.647 1.00 1.13 N ATOM 269 CA LYS A 19 2.174 3.606 -6.525 1.00 3.22 C ATOM 270 C LYS A 19 3.112 4.748 -6.901 1.00 71.20 C ATOM 271 O LYS A 19 4.277 4.525 -7.228 1.00 12.14 O ATOM 272 CB LYS A 19 2.729 2.853 -5.315 1.00 65.35 C ATOM 273 CG LYS A 19 1.710 2.646 -4.207 1.00 45.23 C ATOM 274 CD LYS A 19 0.766 1.498 -4.525 1.00 0.14 C ATOM 275 CE LYS A 19 -0.628 1.753 -3.972 1.00 41.40 C ATOM 276 NZ LYS A 19 -1.652 0.897 -4.633 1.00 42.20 N ATOM 0 H LYS A 19 2.285 1.734 -7.462 1.00 1.13 H new ATOM 0 HA LYS A 19 1.202 4.028 -6.268 1.00 3.22 H new ATOM 0 HB2 LYS A 19 3.101 1.882 -5.641 1.00 65.35 H new ATOM 0 HB3 LYS A 19 3.581 3.403 -4.915 1.00 65.35 H new ATOM 0 HG2 LYS A 19 2.227 2.444 -3.269 1.00 45.23 H new ATOM 0 HG3 LYS A 19 1.136 3.561 -4.064 1.00 45.23 H new ATOM 0 HD2 LYS A 19 0.711 1.360 -5.605 1.00 0.14 H new ATOM 0 HD3 LYS A 19 1.162 0.573 -4.105 1.00 0.14 H new ATOM 0 HE2 LYS A 19 -0.633 1.563 -2.899 1.00 41.40 H new ATOM 0 HE3 LYS A 19 -0.887 2.803 -4.111 1.00 41.40 H new ATOM 0 HZ1 LYS A 19 -2.603 1.226 -4.368 1.00 42.20 H new ATOM 0 HZ2 LYS A 19 -1.540 0.956 -5.665 1.00 42.20 H new ATOM 0 HZ3 LYS A 19 -1.529 -0.090 -4.328 1.00 42.20 H new ATOM 290 N GLY A 20 2.597 5.972 -6.852 1.00 44.31 N ATOM 291 CA GLY A 20 3.403 7.130 -7.189 1.00 42.55 C ATOM 292 C GLY A 20 2.769 7.986 -8.268 1.00 23.31 C ATOM 293 O GLY A 20 2.801 9.213 -8.196 1.00 14.11 O ATOM 0 H GLY A 20 1.635 6.182 -6.585 1.00 44.31 H new ATOM 0 HA2 GLY A 20 3.557 7.734 -6.295 1.00 42.55 H new ATOM 0 HA3 GLY A 20 4.386 6.799 -7.523 1.00 42.55 H new ATOM 434 N LEU A 29 6.798 6.354 -17.925 1.00 51.51 N ATOM 435 CA LEU A 29 6.890 5.321 -16.900 1.00 31.30 C ATOM 436 C LEU A 29 7.263 3.975 -17.516 1.00 44.11 C ATOM 437 O LEU A 29 7.344 3.843 -18.736 1.00 73.33 O ATOM 438 CB LEU A 29 5.563 5.200 -16.149 1.00 24.23 C ATOM 439 CG LEU A 29 4.297 5.320 -16.999 1.00 41.10 C ATOM 440 CD1 LEU A 29 4.269 4.242 -18.071 1.00 72.20 C ATOM 441 CD2 LEU A 29 3.057 5.237 -16.123 1.00 24.24 C ATOM 0 HA LEU A 29 7.673 5.609 -16.198 1.00 31.30 H new ATOM 0 HB2 LEU A 29 5.544 4.237 -15.639 1.00 24.23 H new ATOM 0 HB3 LEU A 29 5.533 5.970 -15.378 1.00 24.23 H new ATOM 0 HG LEU A 29 4.304 6.292 -17.492 1.00 41.10 H new ATOM 0 HD11 LEU A 29 3.361 4.344 -18.665 1.00 72.20 H new ATOM 0 HD12 LEU A 29 5.140 4.349 -18.718 1.00 72.20 H new ATOM 0 HD13 LEU A 29 4.286 3.259 -17.599 1.00 72.20 H new ATOM 0 HD21 LEU A 29 2.166 5.324 -16.745 1.00 24.24 H new ATOM 0 HD22 LEU A 29 3.043 4.280 -15.601 1.00 24.24 H new ATOM 0 HD23 LEU A 29 3.072 6.047 -15.394 1.00 24.24 H new ATOM 453 N GLU A 30 7.487 2.981 -16.662 1.00 21.14 N ATOM 454 CA GLU A 30 7.850 1.646 -17.123 1.00 25.12 C ATOM 455 C GLU A 30 7.140 0.575 -16.299 1.00 33.10 C ATOM 456 O GLU A 30 6.878 0.763 -15.111 1.00 34.14 O ATOM 457 CB GLU A 30 9.364 1.449 -17.042 1.00 41.02 C ATOM 458 CG GLU A 30 9.865 0.250 -17.829 1.00 72.40 C ATOM 459 CD GLU A 30 11.352 0.323 -18.121 1.00 24.02 C ATOM 460 OE1 GLU A 30 11.743 1.104 -19.013 1.00 42.32 O ATOM 461 OE2 GLU A 30 12.122 -0.401 -17.457 1.00 75.32 O ATOM 0 H GLU A 30 7.424 3.075 -15.648 1.00 21.14 H new ATOM 0 HA GLU A 30 7.534 1.549 -18.162 1.00 25.12 H new ATOM 0 HB2 GLU A 30 9.859 2.347 -17.411 1.00 41.02 H new ATOM 0 HB3 GLU A 30 9.651 1.333 -15.997 1.00 41.02 H new ATOM 0 HG2 GLU A 30 9.653 -0.661 -17.270 1.00 72.40 H new ATOM 0 HG3 GLU A 30 9.317 0.182 -18.769 1.00 72.40 H new ATOM 468 N TRP A 31 6.834 -0.548 -16.939 1.00 32.11 N ATOM 469 CA TRP A 31 6.155 -1.649 -16.266 1.00 24.34 C ATOM 470 C TRP A 31 6.971 -2.934 -16.364 1.00 11.34 C ATOM 471 O TRP A 31 7.534 -3.244 -17.415 1.00 74.23 O ATOM 472 CB TRP A 31 4.767 -1.866 -16.871 1.00 1.50 C ATOM 473 CG TRP A 31 3.863 -0.679 -16.725 1.00 60.10 C ATOM 474 CD1 TRP A 31 3.929 0.492 -17.424 1.00 73.02 C ATOM 475 CD2 TRP A 31 2.761 -0.547 -15.822 1.00 44.05 C ATOM 476 NE1 TRP A 31 2.933 1.344 -17.010 1.00 13.22 N ATOM 477 CE2 TRP A 31 2.203 0.729 -16.028 1.00 41.22 C ATOM 478 CE3 TRP A 31 2.189 -1.385 -14.859 1.00 55.35 C ATOM 479 CZ2 TRP A 31 1.103 1.187 -15.306 1.00 74.11 C ATOM 480 CZ3 TRP A 31 1.098 -0.929 -14.143 1.00 34.44 C ATOM 481 CH2 TRP A 31 0.564 0.347 -14.371 1.00 62.53 C ATOM 0 H TRP A 31 7.045 -0.720 -17.922 1.00 32.11 H new ATOM 0 HA TRP A 31 6.049 -1.387 -15.213 1.00 24.34 H new ATOM 0 HB2 TRP A 31 4.873 -2.105 -17.929 1.00 1.50 H new ATOM 0 HB3 TRP A 31 4.302 -2.729 -16.395 1.00 1.50 H new ATOM 0 HD1 TRP A 31 4.657 0.716 -18.190 1.00 73.02 H new ATOM 0 HE1 TRP A 31 2.765 2.282 -17.375 1.00 13.22 H new ATOM 0 HE3 TRP A 31 2.592 -2.370 -14.678 1.00 55.35 H new ATOM 0 HZ2 TRP A 31 0.691 2.170 -15.479 1.00 74.11 H new ATOM 0 HZ3 TRP A 31 0.649 -1.566 -13.395 1.00 34.44 H new ATOM 0 HH2 TRP A 31 -0.290 0.673 -13.797 1.00 62.53 H new ATOM 492 N LYS A 32 7.032 -3.677 -15.265 1.00 11.14 N ATOM 493 CA LYS A 32 7.779 -4.928 -15.227 1.00 72.11 C ATOM 494 C LYS A 32 7.035 -5.981 -14.411 1.00 31.34 C ATOM 495 O LYS A 32 6.414 -5.669 -13.394 1.00 74.44 O ATOM 496 CB LYS A 32 9.171 -4.698 -14.635 1.00 62.54 C ATOM 497 CG LYS A 32 10.292 -5.304 -15.461 1.00 45.31 C ATOM 498 CD LYS A 32 11.471 -4.353 -15.583 1.00 12.44 C ATOM 499 CE LYS A 32 12.673 -5.035 -16.218 1.00 4.23 C ATOM 500 NZ LYS A 32 13.951 -4.608 -15.585 1.00 55.13 N ATOM 0 H LYS A 32 6.572 -3.434 -14.387 1.00 11.14 H new ATOM 0 HA LYS A 32 7.882 -5.292 -16.249 1.00 72.11 H new ATOM 0 HB2 LYS A 32 9.342 -3.626 -14.537 1.00 62.54 H new ATOM 0 HB3 LYS A 32 9.203 -5.119 -13.630 1.00 62.54 H new ATOM 0 HG2 LYS A 32 10.621 -6.236 -15.001 1.00 45.31 H new ATOM 0 HG3 LYS A 32 9.920 -5.553 -16.455 1.00 45.31 H new ATOM 0 HD2 LYS A 32 11.183 -3.489 -16.182 1.00 12.44 H new ATOM 0 HD3 LYS A 32 11.743 -3.980 -14.596 1.00 12.44 H new ATOM 0 HE2 LYS A 32 12.567 -6.116 -16.128 1.00 4.23 H new ATOM 0 HE3 LYS A 32 12.701 -4.805 -17.283 1.00 4.23 H new ATOM 0 HZ1 LYS A 32 14.746 -5.095 -16.046 1.00 55.13 H new ATOM 0 HZ2 LYS A 32 14.065 -3.580 -15.693 1.00 55.13 H new ATOM 0 HZ3 LYS A 32 13.936 -4.851 -14.574 1.00 55.13 H new ATOM 514 N LEU A 33 7.102 -7.229 -14.863 1.00 22.15 N ATOM 515 CA LEU A 33 6.435 -8.329 -14.174 1.00 54.40 C ATOM 516 C LEU A 33 7.332 -9.562 -14.124 1.00 50.22 C ATOM 517 O LEU A 33 7.959 -9.926 -15.117 1.00 10.30 O ATOM 518 CB LEU A 33 5.117 -8.669 -14.871 1.00 74.13 C ATOM 519 CG LEU A 33 4.512 -10.033 -14.534 1.00 40.04 C ATOM 520 CD1 LEU A 33 4.155 -10.107 -13.057 1.00 44.20 C ATOM 521 CD2 LEU A 33 3.288 -10.301 -15.395 1.00 4.41 C ATOM 0 H LEU A 33 7.611 -7.504 -15.703 1.00 22.15 H new ATOM 0 HA LEU A 33 6.226 -8.013 -13.152 1.00 54.40 H new ATOM 0 HB2 LEU A 33 4.388 -7.899 -14.621 1.00 74.13 H new ATOM 0 HB3 LEU A 33 5.276 -8.620 -15.948 1.00 74.13 H new ATOM 0 HG LEU A 33 5.255 -10.802 -14.746 1.00 40.04 H new ATOM 0 HD11 LEU A 33 3.726 -11.084 -12.835 1.00 44.20 H new ATOM 0 HD12 LEU A 33 5.054 -9.961 -12.458 1.00 44.20 H new ATOM 0 HD13 LEU A 33 3.429 -9.329 -12.819 1.00 44.20 H new ATOM 0 HD21 LEU A 33 2.871 -11.276 -15.141 1.00 4.41 H new ATOM 0 HD22 LEU A 33 2.540 -9.529 -15.215 1.00 4.41 H new ATOM 0 HD23 LEU A 33 3.574 -10.291 -16.447 1.00 4.41 H new ATOM 533 N ASN A 34 7.384 -10.201 -12.960 1.00 73.41 N ATOM 534 CA ASN A 34 8.202 -11.396 -12.781 1.00 72.31 C ATOM 535 C ASN A 34 7.331 -12.615 -12.495 1.00 25.15 C ATOM 536 O ASN A 34 6.563 -12.633 -11.531 1.00 14.51 O ATOM 537 CB ASN A 34 9.200 -11.190 -11.639 1.00 22.21 C ATOM 538 CG ASN A 34 10.000 -12.441 -11.337 1.00 34.44 C ATOM 539 OD1 ASN A 34 9.549 -13.318 -10.599 1.00 50.21 O ATOM 540 ND2 ASN A 34 11.195 -12.532 -11.910 1.00 53.44 N ATOM 0 H ASN A 34 6.870 -9.912 -12.127 1.00 73.41 H new ATOM 0 HA ASN A 34 8.750 -11.572 -13.707 1.00 72.31 H new ATOM 0 HB2 ASN A 34 9.882 -10.380 -11.898 1.00 22.21 H new ATOM 0 HB3 ASN A 34 8.663 -10.880 -10.742 1.00 22.21 H new ATOM 0 HD21 ASN A 34 11.778 -13.352 -11.745 1.00 53.44 H new ATOM 0 HD22 ASN A 34 11.529 -11.781 -12.515 1.00 53.44 H new ATOM 547 N THR A 35 7.452 -13.634 -13.339 1.00 33.44 N ATOM 548 CA THR A 35 6.676 -14.857 -13.180 1.00 24.20 C ATOM 549 C THR A 35 7.532 -16.091 -13.442 1.00 14.44 C ATOM 550 O THR A 35 8.701 -15.980 -13.806 1.00 74.03 O ATOM 551 CB THR A 35 5.460 -14.879 -14.125 1.00 42.11 C ATOM 552 OG1 THR A 35 5.842 -15.403 -15.402 1.00 4.24 O ATOM 553 CG2 THR A 35 4.882 -13.482 -14.296 1.00 54.44 C ATOM 0 H THR A 35 8.082 -13.636 -14.142 1.00 33.44 H new ATOM 0 HA THR A 35 6.325 -14.875 -12.148 1.00 24.20 H new ATOM 0 HB THR A 35 4.696 -15.519 -13.684 1.00 42.11 H new ATOM 0 HG1 THR A 35 5.154 -16.024 -15.720 1.00 4.24 H new ATOM 0 HG21 THR A 35 4.024 -13.523 -14.968 1.00 54.44 H new ATOM 0 HG22 THR A 35 4.566 -13.098 -13.326 1.00 54.44 H new ATOM 0 HG23 THR A 35 5.641 -12.823 -14.717 1.00 54.44 H new ATOM 561 N GLY A 36 6.939 -17.267 -13.258 1.00 73.03 N ATOM 562 CA GLY A 36 7.664 -18.505 -13.481 1.00 0.25 C ATOM 563 C GLY A 36 8.651 -18.808 -12.372 1.00 10.44 C ATOM 564 O GLY A 36 8.308 -18.741 -11.192 1.00 43.14 O ATOM 0 H GLY A 36 5.971 -17.385 -12.959 1.00 73.03 H new ATOM 0 HA2 GLY A 36 6.954 -19.328 -13.566 1.00 0.25 H new ATOM 0 HA3 GLY A 36 8.196 -18.444 -14.430 1.00 0.25 H new ATOM 568 N ARG A 37 9.880 -19.141 -12.751 1.00 31.20 N ATOM 569 CA ARG A 37 10.919 -19.458 -11.779 1.00 61.44 C ATOM 570 C ARG A 37 12.019 -18.400 -11.795 1.00 71.24 C ATOM 571 O ARG A 37 12.563 -18.038 -10.751 1.00 74.05 O ATOM 572 CB ARG A 37 11.517 -20.836 -12.071 1.00 55.43 C ATOM 573 CG ARG A 37 11.905 -21.609 -10.821 1.00 40.33 C ATOM 574 CD ARG A 37 10.687 -21.947 -9.975 1.00 20.25 C ATOM 575 NE ARG A 37 10.878 -23.172 -9.205 1.00 73.33 N ATOM 576 CZ ARG A 37 9.951 -23.695 -8.411 1.00 25.14 C ATOM 577 NH1 ARG A 37 8.772 -23.101 -8.285 1.00 64.11 N ATOM 578 NH2 ARG A 37 10.200 -24.814 -7.743 1.00 45.21 N ATOM 0 H ARG A 37 10.181 -19.198 -13.724 1.00 31.20 H new ATOM 0 HA ARG A 37 10.464 -19.470 -10.789 1.00 61.44 H new ATOM 0 HB2 ARG A 37 10.796 -21.422 -12.641 1.00 55.43 H new ATOM 0 HB3 ARG A 37 12.398 -20.714 -12.701 1.00 55.43 H new ATOM 0 HG2 ARG A 37 12.419 -22.528 -11.105 1.00 40.33 H new ATOM 0 HG3 ARG A 37 12.607 -21.020 -10.231 1.00 40.33 H new ATOM 0 HD2 ARG A 37 10.477 -21.121 -9.296 1.00 20.25 H new ATOM 0 HD3 ARG A 37 9.816 -22.057 -10.621 1.00 20.25 H new ATOM 0 HE ARG A 37 11.774 -23.654 -9.281 1.00 73.33 H new ATOM 0 HH11 ARG A 37 8.577 -22.242 -8.798 1.00 64.11 H new ATOM 0 HH12 ARG A 37 8.061 -23.504 -7.675 1.00 64.11 H new ATOM 0 HH21 ARG A 37 11.105 -25.274 -7.839 1.00 45.21 H new ATOM 0 HH22 ARG A 37 9.486 -25.214 -7.134 1.00 45.21 H new ATOM 592 N THR A 38 12.343 -17.908 -12.987 1.00 43.40 N ATOM 593 CA THR A 38 13.378 -16.893 -13.140 1.00 21.35 C ATOM 594 C THR A 38 13.539 -16.488 -14.600 1.00 33.54 C ATOM 595 O THR A 38 13.901 -15.351 -14.902 1.00 63.22 O ATOM 596 CB THR A 38 14.734 -17.390 -12.604 1.00 42.34 C ATOM 597 OG1 THR A 38 15.619 -16.281 -12.408 1.00 42.22 O ATOM 598 CG2 THR A 38 15.365 -18.385 -13.566 1.00 54.33 C ATOM 0 H THR A 38 11.903 -18.196 -13.861 1.00 43.40 H new ATOM 0 HA THR A 38 13.061 -16.027 -12.559 1.00 21.35 H new ATOM 0 HB THR A 38 14.562 -17.890 -11.651 1.00 42.34 H new ATOM 0 HG1 THR A 38 16.478 -16.605 -12.066 1.00 42.22 H new ATOM 0 HG21 THR A 38 16.321 -18.722 -13.166 1.00 54.33 H new ATOM 0 HG22 THR A 38 14.702 -19.241 -13.690 1.00 54.33 H new ATOM 0 HG23 THR A 38 15.524 -17.906 -14.532 1.00 54.33 H new ATOM 606 N GLU A 39 13.269 -17.425 -15.503 1.00 32.35 N ATOM 607 CA GLU A 39 13.384 -17.164 -16.933 1.00 33.45 C ATOM 608 C GLU A 39 12.011 -16.933 -17.557 1.00 74.01 C ATOM 609 O GLU A 39 11.772 -17.293 -18.709 1.00 11.41 O ATOM 610 CB GLU A 39 14.084 -18.332 -17.633 1.00 40.41 C ATOM 611 CG GLU A 39 15.548 -18.478 -17.255 1.00 60.34 C ATOM 612 CD GLU A 39 16.057 -19.895 -17.431 1.00 70.43 C ATOM 613 OE1 GLU A 39 16.116 -20.366 -18.586 1.00 5.33 O ATOM 614 OE2 GLU A 39 16.399 -20.533 -16.413 1.00 24.43 O ATOM 0 H GLU A 39 12.969 -18.372 -15.270 1.00 32.35 H new ATOM 0 HA GLU A 39 13.980 -16.261 -17.064 1.00 33.45 H new ATOM 0 HB2 GLU A 39 13.561 -19.257 -17.390 1.00 40.41 H new ATOM 0 HB3 GLU A 39 14.008 -18.197 -18.712 1.00 40.41 H new ATOM 0 HG2 GLU A 39 16.146 -17.802 -17.866 1.00 60.34 H new ATOM 0 HG3 GLU A 39 15.684 -18.173 -16.217 1.00 60.34 H new ATOM 621 N ALA A 40 11.111 -16.330 -16.787 1.00 63.45 N ATOM 622 CA ALA A 40 9.763 -16.049 -17.263 1.00 24.03 C ATOM 623 C ALA A 40 9.428 -14.568 -17.122 1.00 73.22 C ATOM 624 O ALA A 40 8.376 -14.115 -17.571 1.00 44.41 O ATOM 625 CB ALA A 40 8.749 -16.896 -16.507 1.00 32.50 C ATOM 0 H ALA A 40 11.292 -16.027 -15.830 1.00 63.45 H new ATOM 0 HA ALA A 40 9.717 -16.305 -18.321 1.00 24.03 H new ATOM 0 HB1 ALA A 40 7.746 -16.676 -16.873 1.00 32.50 H new ATOM 0 HB2 ALA A 40 8.969 -17.952 -16.663 1.00 32.50 H new ATOM 0 HB3 ALA A 40 8.805 -16.667 -15.443 1.00 32.50 H new ATOM 631 N TRP A 41 10.329 -13.821 -16.494 1.00 13.11 N ATOM 632 CA TRP A 41 10.128 -12.390 -16.293 1.00 22.14 C ATOM 633 C TRP A 41 9.982 -11.668 -17.628 1.00 0.50 C ATOM 634 O TRP A 41 10.777 -11.873 -18.547 1.00 52.12 O ATOM 635 CB TRP A 41 11.295 -11.796 -15.502 1.00 12.14 C ATOM 636 CG TRP A 41 12.582 -11.773 -16.271 1.00 63.33 C ATOM 637 CD1 TRP A 41 13.313 -12.853 -16.675 1.00 13.51 C ATOM 638 CD2 TRP A 41 13.289 -10.614 -16.723 1.00 73.35 C ATOM 639 NE1 TRP A 41 14.433 -12.434 -17.352 1.00 13.31 N ATOM 640 CE2 TRP A 41 14.441 -11.066 -17.395 1.00 13.54 C ATOM 641 CE3 TRP A 41 13.060 -9.238 -16.627 1.00 74.40 C ATOM 642 CZ2 TRP A 41 15.360 -10.189 -17.968 1.00 63.34 C ATOM 643 CZ3 TRP A 41 13.974 -8.371 -17.194 1.00 2.11 C ATOM 644 CH2 TRP A 41 15.112 -8.848 -17.858 1.00 62.40 C ATOM 0 H TRP A 41 11.205 -14.182 -16.116 1.00 13.11 H new ATOM 0 HA TRP A 41 9.207 -12.254 -15.725 1.00 22.14 H new ATOM 0 HB2 TRP A 41 11.041 -10.779 -15.202 1.00 12.14 H new ATOM 0 HB3 TRP A 41 11.436 -12.373 -14.588 1.00 12.14 H new ATOM 0 HD1 TRP A 41 13.050 -13.884 -16.490 1.00 13.51 H new ATOM 0 HE1 TRP A 41 15.143 -13.044 -17.757 1.00 13.31 H new ATOM 0 HE3 TRP A 41 12.185 -8.860 -16.119 1.00 74.40 H new ATOM 0 HZ2 TRP A 41 16.237 -10.555 -18.481 1.00 63.34 H new ATOM 0 HZ3 TRP A 41 13.808 -7.306 -17.124 1.00 2.11 H new ATOM 0 HH2 TRP A 41 15.807 -8.144 -18.291 1.00 62.40 H new ATOM 655 N LYS A 42 8.963 -10.821 -17.730 1.00 34.40 N ATOM 656 CA LYS A 42 8.714 -10.067 -18.954 1.00 72.55 C ATOM 657 C LYS A 42 8.579 -8.577 -18.655 1.00 61.41 C ATOM 658 O LYS A 42 8.205 -8.186 -17.550 1.00 64.43 O ATOM 659 CB LYS A 42 7.447 -10.577 -19.642 1.00 33.34 C ATOM 660 CG LYS A 42 7.199 -12.062 -19.440 1.00 52.33 C ATOM 661 CD LYS A 42 6.262 -12.317 -18.271 1.00 14.22 C ATOM 662 CE LYS A 42 4.843 -11.872 -18.588 1.00 44.32 C ATOM 663 NZ LYS A 42 3.831 -12.701 -17.878 1.00 3.32 N ATOM 0 H LYS A 42 8.296 -10.639 -16.980 1.00 34.40 H new ATOM 0 HA LYS A 42 9.564 -10.211 -19.621 1.00 72.55 H new ATOM 0 HB2 LYS A 42 6.590 -10.020 -19.265 1.00 33.34 H new ATOM 0 HB3 LYS A 42 7.516 -10.371 -20.710 1.00 33.34 H new ATOM 0 HG2 LYS A 42 6.773 -12.488 -20.349 1.00 52.33 H new ATOM 0 HG3 LYS A 42 8.147 -12.570 -19.265 1.00 52.33 H new ATOM 0 HD2 LYS A 42 6.265 -13.379 -18.025 1.00 14.22 H new ATOM 0 HD3 LYS A 42 6.623 -11.785 -17.391 1.00 14.22 H new ATOM 0 HE2 LYS A 42 4.719 -10.826 -18.306 1.00 44.32 H new ATOM 0 HE3 LYS A 42 4.674 -11.934 -19.663 1.00 44.32 H new ATOM 0 HZ1 LYS A 42 2.883 -12.482 -18.246 1.00 3.32 H new ATOM 0 HZ2 LYS A 42 4.038 -13.709 -18.032 1.00 3.32 H new ATOM 0 HZ3 LYS A 42 3.864 -12.492 -16.860 1.00 3.32 H new ATOM 677 N VAL A 43 8.884 -7.749 -19.650 1.00 23.21 N ATOM 678 CA VAL A 43 8.794 -6.302 -19.495 1.00 44.04 C ATOM 679 C VAL A 43 7.475 -5.771 -20.045 1.00 32.51 C ATOM 680 O VAL A 43 7.164 -5.951 -21.223 1.00 53.20 O ATOM 681 CB VAL A 43 9.959 -5.587 -20.205 1.00 63.52 C ATOM 682 CG1 VAL A 43 9.919 -4.094 -19.924 1.00 1.52 C ATOM 683 CG2 VAL A 43 11.291 -6.184 -19.775 1.00 24.02 C ATOM 0 H VAL A 43 9.195 -8.056 -20.572 1.00 23.21 H new ATOM 0 HA VAL A 43 8.848 -6.095 -18.426 1.00 44.04 H new ATOM 0 HB VAL A 43 9.852 -5.733 -21.280 1.00 63.52 H new ATOM 0 HG11 VAL A 43 10.749 -3.605 -20.434 1.00 1.52 H new ATOM 0 HG12 VAL A 43 8.978 -3.681 -20.286 1.00 1.52 H new ATOM 0 HG13 VAL A 43 10.001 -3.923 -18.851 1.00 1.52 H new ATOM 0 HG21 VAL A 43 12.103 -5.667 -20.286 1.00 24.02 H new ATOM 0 HG22 VAL A 43 11.410 -6.070 -18.697 1.00 24.02 H new ATOM 0 HG23 VAL A 43 11.315 -7.243 -20.033 1.00 24.02 H new ATOM 693 N LEU A 44 6.702 -5.117 -19.186 1.00 64.41 N ATOM 694 CA LEU A 44 5.414 -4.559 -19.586 1.00 51.03 C ATOM 695 C LEU A 44 5.573 -3.124 -20.077 1.00 34.04 C ATOM 696 O LEU A 44 6.405 -2.371 -19.571 1.00 64.24 O ATOM 697 CB LEU A 44 4.431 -4.604 -18.415 1.00 15.01 C ATOM 698 CG LEU A 44 3.656 -5.910 -18.239 1.00 51.03 C ATOM 699 CD1 LEU A 44 2.641 -6.084 -19.358 1.00 50.14 C ATOM 700 CD2 LEU A 44 4.611 -7.094 -18.193 1.00 13.13 C ATOM 0 H LEU A 44 6.944 -4.960 -18.208 1.00 64.41 H new ATOM 0 HA LEU A 44 5.022 -5.163 -20.404 1.00 51.03 H new ATOM 0 HB2 LEU A 44 4.982 -4.405 -17.496 1.00 15.01 H new ATOM 0 HB3 LEU A 44 3.713 -3.793 -18.538 1.00 15.01 H new ATOM 0 HG LEU A 44 3.117 -5.866 -17.292 1.00 51.03 H new ATOM 0 HD11 LEU A 44 2.099 -7.019 -19.216 1.00 50.14 H new ATOM 0 HD12 LEU A 44 1.938 -5.251 -19.344 1.00 50.14 H new ATOM 0 HD13 LEU A 44 3.158 -6.106 -20.318 1.00 50.14 H new ATOM 0 HD21 LEU A 44 4.042 -8.015 -18.067 1.00 13.13 H new ATOM 0 HD22 LEU A 44 5.177 -7.141 -19.123 1.00 13.13 H new ATOM 0 HD23 LEU A 44 5.298 -6.975 -17.355 1.00 13.13 H new ATOM 712 N SER A 45 4.767 -2.751 -21.067 1.00 42.42 N ATOM 713 CA SER A 45 4.819 -1.405 -21.628 1.00 20.50 C ATOM 714 C SER A 45 3.437 -0.760 -21.619 1.00 41.41 C ATOM 715 O SER A 45 2.411 -1.430 -21.496 1.00 71.12 O ATOM 716 CB SER A 45 5.367 -1.447 -23.056 1.00 3.42 C ATOM 717 OG SER A 45 5.329 -2.764 -23.579 1.00 2.24 O ATOM 0 H SER A 45 4.071 -3.361 -21.497 1.00 42.42 H new ATOM 0 HA SER A 45 5.485 -0.804 -21.009 1.00 20.50 H new ATOM 0 HB2 SER A 45 4.783 -0.783 -23.693 1.00 3.42 H new ATOM 0 HB3 SER A 45 6.393 -1.078 -23.066 1.00 3.42 H new ATOM 0 HG SER A 45 5.683 -2.763 -24.493 1.00 2.24 H new ATOM 723 N PRO A 46 3.407 0.575 -21.753 1.00 73.32 N ATOM 724 CA PRO A 46 2.158 1.342 -21.764 1.00 74.23 C ATOM 725 C PRO A 46 1.340 1.099 -23.028 1.00 64.42 C ATOM 726 O PRO A 46 0.237 1.624 -23.174 1.00 51.11 O ATOM 727 CB PRO A 46 2.634 2.795 -21.706 1.00 5.24 C ATOM 728 CG PRO A 46 4.005 2.768 -22.287 1.00 63.05 C ATOM 729 CD PRO A 46 4.591 1.438 -21.903 1.00 75.51 C ATOM 0 HA PRO A 46 1.500 1.062 -20.942 1.00 74.23 H new ATOM 0 HB2 PRO A 46 1.975 3.450 -22.276 1.00 5.24 H new ATOM 0 HB3 PRO A 46 2.645 3.167 -20.682 1.00 5.24 H new ATOM 0 HG2 PRO A 46 3.972 2.882 -23.371 1.00 63.05 H new ATOM 0 HG3 PRO A 46 4.610 3.588 -21.899 1.00 63.05 H new ATOM 0 HD2 PRO A 46 5.269 1.061 -22.669 1.00 75.51 H new ATOM 0 HD3 PRO A 46 5.161 1.502 -20.976 1.00 75.51 H new ATOM 737 N GLN A 47 1.888 0.300 -23.938 1.00 61.42 N ATOM 738 CA GLN A 47 1.208 -0.012 -25.189 1.00 51.11 C ATOM 739 C GLN A 47 1.019 -1.517 -25.346 1.00 53.41 C ATOM 740 O GLN A 47 1.798 -2.182 -26.029 1.00 23.31 O ATOM 741 CB GLN A 47 1.999 0.542 -26.376 1.00 73.54 C ATOM 742 CG GLN A 47 1.223 0.532 -27.682 1.00 33.13 C ATOM 743 CD GLN A 47 -0.076 1.309 -27.595 1.00 32.35 C ATOM 744 OE1 GLN A 47 -0.073 2.529 -27.432 1.00 62.14 O ATOM 745 NE2 GLN A 47 -1.195 0.604 -27.706 1.00 21.43 N ATOM 0 H GLN A 47 2.801 -0.143 -23.832 1.00 61.42 H new ATOM 0 HA GLN A 47 0.225 0.458 -25.166 1.00 51.11 H new ATOM 0 HB2 GLN A 47 2.305 1.564 -26.153 1.00 73.54 H new ATOM 0 HB3 GLN A 47 2.910 -0.044 -26.500 1.00 73.54 H new ATOM 0 HG2 GLN A 47 1.843 0.956 -28.472 1.00 33.13 H new ATOM 0 HG3 GLN A 47 1.007 -0.499 -27.964 1.00 33.13 H new ATOM 0 HE21 GLN A 47 -1.150 -0.406 -27.840 1.00 21.43 H new ATOM 0 HE22 GLN A 47 -2.100 1.072 -27.657 1.00 21.43 H new ATOM 852 N ALA A 56 -0.443 -8.549 -21.116 1.00 22.55 N ATOM 853 CA ALA A 56 -1.531 -7.706 -20.635 1.00 32.15 C ATOM 854 C ALA A 56 -1.453 -6.310 -21.244 1.00 24.45 C ATOM 855 O ALA A 56 -0.519 -5.994 -21.979 1.00 34.31 O ATOM 856 CB ALA A 56 -1.502 -7.624 -19.117 1.00 24.51 C ATOM 0 HA ALA A 56 -2.473 -8.157 -20.946 1.00 32.15 H new ATOM 0 HB1 ALA A 56 -2.320 -6.992 -18.771 1.00 24.51 H new ATOM 0 HB2 ALA A 56 -1.613 -8.623 -18.696 1.00 24.51 H new ATOM 0 HB3 ALA A 56 -0.552 -7.198 -18.794 1.00 24.51 H new ATOM 862 N ARG A 57 -2.443 -5.479 -20.933 1.00 33.13 N ATOM 863 CA ARG A 57 -2.488 -4.117 -21.452 1.00 41.43 C ATOM 864 C ARG A 57 -2.332 -3.101 -20.324 1.00 55.30 C ATOM 865 O ARG A 57 -2.564 -3.412 -19.156 1.00 60.51 O ATOM 866 CB ARG A 57 -3.804 -3.874 -22.193 1.00 11.02 C ATOM 867 CG ARG A 57 -4.397 -5.130 -22.810 1.00 75.41 C ATOM 868 CD ARG A 57 -5.389 -5.798 -21.870 1.00 53.34 C ATOM 869 NE ARG A 57 -6.728 -5.226 -21.992 1.00 74.45 N ATOM 870 CZ ARG A 57 -7.585 -5.562 -22.949 1.00 64.52 C ATOM 871 NH1 ARG A 57 -7.247 -6.462 -23.861 1.00 31.42 N ATOM 872 NH2 ARG A 57 -8.786 -4.999 -22.992 1.00 11.43 N ATOM 0 H ARG A 57 -3.224 -5.725 -20.325 1.00 33.13 H new ATOM 0 HA ARG A 57 -1.659 -3.992 -22.148 1.00 41.43 H new ATOM 0 HB2 ARG A 57 -4.527 -3.444 -21.500 1.00 11.02 H new ATOM 0 HB3 ARG A 57 -3.638 -3.137 -22.979 1.00 11.02 H new ATOM 0 HG2 ARG A 57 -4.895 -4.877 -23.746 1.00 75.41 H new ATOM 0 HG3 ARG A 57 -3.597 -5.829 -23.054 1.00 75.41 H new ATOM 0 HD2 ARG A 57 -5.430 -6.866 -22.085 1.00 53.34 H new ATOM 0 HD3 ARG A 57 -5.042 -5.693 -20.842 1.00 53.34 H new ATOM 0 HE ARG A 57 -7.020 -4.531 -21.305 1.00 74.45 H new ATOM 0 HH11 ARG A 57 -6.326 -6.899 -23.829 1.00 31.42 H new ATOM 0 HH12 ARG A 57 -7.908 -6.718 -24.595 1.00 31.42 H new ATOM 0 HH21 ARG A 57 -9.051 -4.308 -22.290 1.00 11.43 H new ATOM 0 HH22 ARG A 57 -9.444 -5.257 -23.727 1.00 11.43 H new ATOM 886 N VAL A 58 -1.936 -1.883 -20.682 1.00 21.13 N ATOM 887 CA VAL A 58 -1.749 -0.821 -19.702 1.00 4.23 C ATOM 888 C VAL A 58 -2.754 0.307 -19.915 1.00 73.51 C ATOM 889 O VAL A 58 -2.851 0.868 -21.007 1.00 31.12 O ATOM 890 CB VAL A 58 -0.323 -0.243 -19.766 1.00 45.41 C ATOM 891 CG1 VAL A 58 -0.240 1.060 -18.984 1.00 53.35 C ATOM 892 CG2 VAL A 58 0.685 -1.254 -19.242 1.00 52.12 C ATOM 0 H VAL A 58 -1.739 -1.608 -21.644 1.00 21.13 H new ATOM 0 HA VAL A 58 -1.909 -1.265 -18.719 1.00 4.23 H new ATOM 0 HB VAL A 58 -0.082 -0.030 -20.807 1.00 45.41 H new ATOM 0 HG11 VAL A 58 0.775 1.454 -19.040 1.00 53.35 H new ATOM 0 HG12 VAL A 58 -0.935 1.784 -19.409 1.00 53.35 H new ATOM 0 HG13 VAL A 58 -0.501 0.876 -17.942 1.00 53.35 H new ATOM 0 HG21 VAL A 58 1.687 -0.829 -19.294 1.00 52.12 H new ATOM 0 HG22 VAL A 58 0.449 -1.500 -18.207 1.00 52.12 H new ATOM 0 HG23 VAL A 58 0.642 -2.159 -19.849 1.00 52.12 H new ATOM 902 N LEU A 59 -3.498 0.635 -18.865 1.00 64.31 N ATOM 903 CA LEU A 59 -4.495 1.697 -18.936 1.00 20.12 C ATOM 904 C LEU A 59 -3.829 3.059 -19.098 1.00 1.33 C ATOM 905 O LEU A 59 -2.666 3.255 -18.746 1.00 35.33 O ATOM 906 CB LEU A 59 -5.368 1.690 -17.679 1.00 35.20 C ATOM 907 CG LEU A 59 -6.269 0.468 -17.496 1.00 45.10 C ATOM 908 CD1 LEU A 59 -6.878 0.459 -16.102 1.00 22.25 C ATOM 909 CD2 LEU A 59 -7.361 0.446 -18.557 1.00 42.32 C ATOM 0 H LEU A 59 -3.430 0.181 -17.954 1.00 64.31 H new ATOM 0 HA LEU A 59 -5.123 1.514 -19.808 1.00 20.12 H new ATOM 0 HB2 LEU A 59 -4.717 1.771 -16.808 1.00 35.20 H new ATOM 0 HB3 LEU A 59 -5.996 2.581 -17.692 1.00 35.20 H new ATOM 0 HG LEU A 59 -5.660 -0.429 -17.611 1.00 45.10 H new ATOM 0 HD11 LEU A 59 -7.516 -0.417 -15.989 1.00 22.25 H new ATOM 0 HD12 LEU A 59 -6.082 0.427 -15.358 1.00 22.25 H new ATOM 0 HD13 LEU A 59 -7.472 1.361 -15.959 1.00 22.25 H new ATOM 0 HD21 LEU A 59 -7.992 -0.430 -18.411 1.00 42.32 H new ATOM 0 HD22 LEU A 59 -7.967 1.348 -18.474 1.00 42.32 H new ATOM 0 HD23 LEU A 59 -6.906 0.405 -19.547 1.00 42.32 H new ATOM 921 N PRO A 60 -4.584 4.027 -19.642 1.00 71.25 N ATOM 922 CA PRO A 60 -4.088 5.389 -19.860 1.00 21.01 C ATOM 923 C PRO A 60 -3.883 6.147 -18.553 1.00 4.11 C ATOM 924 O PRO A 60 -3.140 7.127 -18.504 1.00 65.43 O ATOM 925 CB PRO A 60 -5.198 6.041 -20.689 1.00 63.34 C ATOM 926 CG PRO A 60 -6.428 5.276 -20.343 1.00 32.14 C ATOM 927 CD PRO A 60 -5.979 3.865 -20.084 1.00 71.43 C ATOM 0 HA PRO A 60 -3.113 5.396 -20.348 1.00 21.01 H new ATOM 0 HB2 PRO A 60 -5.307 7.097 -20.444 1.00 63.34 H new ATOM 0 HB3 PRO A 60 -4.982 5.982 -21.756 1.00 63.34 H new ATOM 0 HG2 PRO A 60 -6.916 5.698 -19.464 1.00 32.14 H new ATOM 0 HG3 PRO A 60 -7.152 5.312 -21.157 1.00 32.14 H new ATOM 0 HD2 PRO A 60 -6.589 3.383 -19.320 1.00 71.43 H new ATOM 0 HD3 PRO A 60 -6.047 3.250 -20.982 1.00 71.43 H new ATOM 935 N ASN A 61 -4.547 5.688 -17.497 1.00 61.04 N ATOM 936 CA ASN A 61 -4.437 6.324 -16.189 1.00 0.21 C ATOM 937 C ASN A 61 -3.189 5.844 -15.454 1.00 0.03 C ATOM 938 O ASN A 61 -2.927 6.252 -14.323 1.00 72.11 O ATOM 939 CB ASN A 61 -5.682 6.031 -15.350 1.00 41.43 C ATOM 940 CG ASN A 61 -6.047 4.560 -15.351 1.00 34.23 C ATOM 941 OD1 ASN A 61 -5.206 3.700 -15.615 1.00 33.15 O ATOM 942 ND2 ASN A 61 -7.306 4.262 -15.055 1.00 4.14 N ATOM 0 H ASN A 61 -5.167 4.878 -17.521 1.00 61.04 H new ATOM 0 HA ASN A 61 -4.355 7.400 -16.341 1.00 0.21 H new ATOM 0 HB2 ASN A 61 -5.511 6.359 -14.325 1.00 41.43 H new ATOM 0 HB3 ASN A 61 -6.521 6.611 -15.735 1.00 41.43 H new ATOM 0 HD21 ASN A 61 -7.610 3.288 -15.040 1.00 4.14 H new ATOM 0 HD22 ASN A 61 -7.970 5.007 -14.842 1.00 4.14 H new ATOM 949 N GLY A 62 -2.424 4.974 -16.104 1.00 14.04 N ATOM 950 CA GLY A 62 -1.213 4.451 -15.498 1.00 11.34 C ATOM 951 C GLY A 62 -1.458 3.172 -14.723 1.00 74.21 C ATOM 952 O GLY A 62 -0.751 2.876 -13.760 1.00 53.41 O ATOM 0 H GLY A 62 -2.621 4.621 -17.041 1.00 14.04 H new ATOM 0 HA2 GLY A 62 -0.473 4.265 -16.276 1.00 11.34 H new ATOM 0 HA3 GLY A 62 -0.791 5.202 -14.830 1.00 11.34 H new ATOM 956 N SER A 63 -2.462 2.411 -15.144 1.00 21.44 N ATOM 957 CA SER A 63 -2.803 1.158 -14.479 1.00 34.53 C ATOM 958 C SER A 63 -2.511 -0.034 -15.386 1.00 24.32 C ATOM 959 O SER A 63 -2.159 0.131 -16.554 1.00 32.24 O ATOM 960 CB SER A 63 -4.277 1.156 -14.073 1.00 23.41 C ATOM 961 OG SER A 63 -4.489 1.947 -12.918 1.00 44.52 O ATOM 0 H SER A 63 -3.054 2.639 -15.942 1.00 21.44 H new ATOM 0 HA SER A 63 -2.188 1.071 -13.583 1.00 34.53 H new ATOM 0 HB2 SER A 63 -4.884 1.536 -14.894 1.00 23.41 H new ATOM 0 HB3 SER A 63 -4.603 0.134 -13.882 1.00 23.41 H new ATOM 0 HG SER A 63 -5.440 1.931 -12.680 1.00 44.52 H new ATOM 967 N LEU A 64 -2.660 -1.236 -14.838 1.00 12.50 N ATOM 968 CA LEU A 64 -2.413 -2.458 -15.597 1.00 5.13 C ATOM 969 C LEU A 64 -3.589 -3.421 -15.474 1.00 64.43 C ATOM 970 O LEU A 64 -4.060 -3.705 -14.372 1.00 32.54 O ATOM 971 CB LEU A 64 -1.132 -3.134 -15.108 1.00 72.24 C ATOM 972 CG LEU A 64 -0.959 -4.603 -15.495 1.00 44.03 C ATOM 973 CD1 LEU A 64 -0.884 -4.752 -17.006 1.00 53.43 C ATOM 974 CD2 LEU A 64 0.284 -5.185 -14.837 1.00 52.24 C ATOM 0 H LEU A 64 -2.950 -1.390 -13.872 1.00 12.50 H new ATOM 0 HA LEU A 64 -2.296 -2.188 -16.647 1.00 5.13 H new ATOM 0 HB2 LEU A 64 -0.280 -2.575 -15.494 1.00 72.24 H new ATOM 0 HB3 LEU A 64 -1.097 -3.059 -14.021 1.00 72.24 H new ATOM 0 HG LEU A 64 -1.827 -5.157 -15.139 1.00 44.03 H new ATOM 0 HD11 LEU A 64 -0.761 -5.804 -17.262 1.00 53.43 H new ATOM 0 HD12 LEU A 64 -1.803 -4.374 -17.455 1.00 53.43 H new ATOM 0 HD13 LEU A 64 -0.035 -4.184 -17.386 1.00 53.43 H new ATOM 0 HD21 LEU A 64 0.391 -6.231 -15.124 1.00 52.24 H new ATOM 0 HD22 LEU A 64 1.163 -4.628 -15.162 1.00 52.24 H new ATOM 0 HD23 LEU A 64 0.189 -5.113 -13.753 1.00 52.24 H new ATOM 986 N PHE A 65 -4.059 -3.922 -16.612 1.00 72.13 N ATOM 987 CA PHE A 65 -5.179 -4.856 -16.631 1.00 12.33 C ATOM 988 C PHE A 65 -4.799 -6.146 -17.352 1.00 73.22 C ATOM 989 O PHE A 65 -4.173 -6.117 -18.412 1.00 61.15 O ATOM 990 CB PHE A 65 -6.391 -4.216 -17.313 1.00 52.42 C ATOM 991 CG PHE A 65 -7.640 -5.044 -17.215 1.00 71.12 C ATOM 992 CD1 PHE A 65 -7.849 -6.110 -18.075 1.00 1.33 C ATOM 993 CD2 PHE A 65 -8.604 -4.758 -16.262 1.00 72.12 C ATOM 994 CE1 PHE A 65 -8.999 -6.873 -17.988 1.00 52.45 C ATOM 995 CE2 PHE A 65 -9.755 -5.518 -16.170 1.00 53.44 C ATOM 996 CZ PHE A 65 -9.952 -6.578 -17.034 1.00 42.24 C ATOM 0 H PHE A 65 -3.682 -3.697 -17.533 1.00 72.13 H new ATOM 0 HA PHE A 65 -5.436 -5.099 -15.600 1.00 12.33 H new ATOM 0 HB2 PHE A 65 -6.576 -3.239 -16.866 1.00 52.42 H new ATOM 0 HB3 PHE A 65 -6.159 -4.046 -18.364 1.00 52.42 H new ATOM 0 HD1 PHE A 65 -7.106 -6.348 -18.822 1.00 1.33 H new ATOM 0 HD2 PHE A 65 -8.454 -3.932 -15.583 1.00 72.12 H new ATOM 0 HE1 PHE A 65 -9.151 -7.699 -18.666 1.00 52.45 H new ATOM 0 HE2 PHE A 65 -10.499 -5.283 -15.424 1.00 53.44 H new ATOM 0 HZ PHE A 65 -10.850 -7.174 -16.963 1.00 42.24 H new ATOM 1006 N LEU A 66 -5.182 -7.276 -16.769 1.00 41.03 N ATOM 1007 CA LEU A 66 -4.882 -8.579 -17.354 1.00 42.31 C ATOM 1008 C LEU A 66 -6.159 -9.287 -17.790 1.00 31.25 C ATOM 1009 O LEU A 66 -7.129 -9.392 -17.038 1.00 2.31 O ATOM 1010 CB LEU A 66 -4.121 -9.447 -16.349 1.00 30.33 C ATOM 1011 CG LEU A 66 -2.665 -9.057 -16.091 1.00 13.34 C ATOM 1012 CD1 LEU A 66 -2.593 -7.757 -15.305 1.00 51.02 C ATOM 1013 CD2 LEU A 66 -1.938 -10.170 -15.353 1.00 74.12 C ATOM 0 H LEU A 66 -5.701 -7.317 -15.892 1.00 41.03 H new ATOM 0 HA LEU A 66 -4.259 -8.420 -18.234 1.00 42.31 H new ATOM 0 HB2 LEU A 66 -4.656 -9.422 -15.400 1.00 30.33 H new ATOM 0 HB3 LEU A 66 -4.143 -10.478 -16.701 1.00 30.33 H new ATOM 0 HG LEU A 66 -2.173 -8.905 -17.052 1.00 13.34 H new ATOM 0 HD11 LEU A 66 -1.550 -7.495 -15.130 1.00 51.02 H new ATOM 0 HD12 LEU A 66 -3.077 -6.962 -15.872 1.00 51.02 H new ATOM 0 HD13 LEU A 66 -3.101 -7.882 -14.349 1.00 51.02 H new ATOM 0 HD21 LEU A 66 -0.903 -9.875 -15.178 1.00 74.12 H new ATOM 0 HD22 LEU A 66 -2.429 -10.355 -14.398 1.00 74.12 H new ATOM 0 HD23 LEU A 66 -1.959 -11.079 -15.954 1.00 74.12 H new ATOM 1025 N PRO A 67 -6.163 -9.788 -19.034 1.00 33.34 N ATOM 1026 CA PRO A 67 -7.315 -10.498 -19.599 1.00 74.12 C ATOM 1027 C PRO A 67 -7.535 -11.859 -18.945 1.00 54.33 C ATOM 1028 O PRO A 67 -8.671 -12.277 -18.728 1.00 10.13 O ATOM 1029 CB PRO A 67 -6.940 -10.667 -21.073 1.00 14.32 C ATOM 1030 CG PRO A 67 -5.451 -10.635 -21.091 1.00 72.42 C ATOM 1031 CD PRO A 67 -5.043 -9.700 -19.986 1.00 2.14 C ATOM 0 HA PRO A 67 -8.246 -9.954 -19.442 1.00 74.12 H new ATOM 0 HB2 PRO A 67 -7.321 -11.607 -21.473 1.00 14.32 H new ATOM 0 HB3 PRO A 67 -7.361 -9.867 -21.683 1.00 14.32 H new ATOM 0 HG2 PRO A 67 -5.037 -11.631 -20.932 1.00 72.42 H new ATOM 0 HG3 PRO A 67 -5.080 -10.286 -22.055 1.00 72.42 H new ATOM 0 HD2 PRO A 67 -4.102 -10.005 -19.529 1.00 2.14 H new ATOM 0 HD3 PRO A 67 -4.905 -8.682 -20.351 1.00 2.14 H new ATOM 1039 N ALA A 68 -6.439 -12.544 -18.634 1.00 14.20 N ATOM 1040 CA ALA A 68 -6.512 -13.856 -18.004 1.00 4.10 C ATOM 1041 C ALA A 68 -5.152 -14.280 -17.460 1.00 22.50 C ATOM 1042 O ALA A 68 -4.265 -14.675 -18.217 1.00 21.41 O ATOM 1043 CB ALA A 68 -7.033 -14.888 -18.992 1.00 34.20 C ATOM 0 H ALA A 68 -5.490 -12.212 -18.808 1.00 14.20 H new ATOM 0 HA ALA A 68 -7.205 -13.791 -17.165 1.00 4.10 H new ATOM 0 HB1 ALA A 68 -7.082 -15.863 -18.508 1.00 34.20 H new ATOM 0 HB2 ALA A 68 -8.029 -14.599 -19.328 1.00 34.20 H new ATOM 0 HB3 ALA A 68 -6.362 -14.942 -19.849 1.00 34.20 H new ATOM 1049 N VAL A 69 -4.993 -14.195 -16.143 1.00 10.20 N ATOM 1050 CA VAL A 69 -3.741 -14.570 -15.498 1.00 70.14 C ATOM 1051 C VAL A 69 -3.560 -16.084 -15.487 1.00 11.10 C ATOM 1052 O VAL A 69 -4.353 -16.810 -14.889 1.00 22.23 O ATOM 1053 CB VAL A 69 -3.675 -14.046 -14.051 1.00 23.24 C ATOM 1054 CG1 VAL A 69 -3.590 -12.528 -14.036 1.00 11.54 C ATOM 1055 CG2 VAL A 69 -4.879 -14.529 -13.255 1.00 50.43 C ATOM 0 H VAL A 69 -5.716 -13.869 -15.502 1.00 10.20 H new ATOM 0 HA VAL A 69 -2.938 -14.115 -16.078 1.00 70.14 H new ATOM 0 HB VAL A 69 -2.774 -14.441 -13.580 1.00 23.24 H new ATOM 0 HG11 VAL A 69 -3.544 -12.176 -13.005 1.00 11.54 H new ATOM 0 HG12 VAL A 69 -2.694 -12.208 -14.569 1.00 11.54 H new ATOM 0 HG13 VAL A 69 -4.471 -12.109 -14.523 1.00 11.54 H new ATOM 0 HG21 VAL A 69 -4.817 -14.150 -12.235 1.00 50.43 H new ATOM 0 HG22 VAL A 69 -5.794 -14.165 -13.722 1.00 50.43 H new ATOM 0 HG23 VAL A 69 -4.890 -15.619 -13.237 1.00 50.43 H new ATOM 1065 N GLY A 70 -2.510 -16.554 -16.153 1.00 14.04 N ATOM 1066 CA GLY A 70 -2.244 -17.980 -16.208 1.00 40.20 C ATOM 1067 C GLY A 70 -1.262 -18.428 -15.143 1.00 51.10 C ATOM 1068 O GLY A 70 -0.548 -17.608 -14.565 1.00 61.03 O ATOM 0 H GLY A 70 -1.839 -15.973 -16.655 1.00 14.04 H new ATOM 0 HA2 GLY A 70 -3.180 -18.526 -16.088 1.00 40.20 H new ATOM 0 HA3 GLY A 70 -1.850 -18.235 -17.192 1.00 40.20 H new ATOM 1072 N ILE A 71 -1.228 -19.730 -14.882 1.00 43.22 N ATOM 1073 CA ILE A 71 -0.328 -20.284 -13.879 1.00 55.00 C ATOM 1074 C ILE A 71 1.116 -19.872 -14.149 1.00 33.34 C ATOM 1075 O ILE A 71 1.917 -19.740 -13.224 1.00 21.43 O ATOM 1076 CB ILE A 71 -0.411 -21.821 -13.835 1.00 71.43 C ATOM 1077 CG1 ILE A 71 -0.248 -22.322 -12.398 1.00 14.34 C ATOM 1078 CG2 ILE A 71 0.647 -22.435 -14.739 1.00 24.51 C ATOM 1079 CD1 ILE A 71 0.724 -23.473 -12.267 1.00 62.10 C ATOM 0 H ILE A 71 -1.813 -20.421 -15.351 1.00 43.22 H new ATOM 0 HA ILE A 71 -0.644 -19.884 -12.916 1.00 55.00 H new ATOM 0 HB ILE A 71 -1.392 -22.127 -14.197 1.00 71.43 H new ATOM 0 HG12 ILE A 71 0.091 -21.498 -11.770 1.00 14.34 H new ATOM 0 HG13 ILE A 71 -1.221 -22.633 -12.018 1.00 14.34 H new ATOM 0 HG21 ILE A 71 0.575 -23.522 -14.697 1.00 24.51 H new ATOM 0 HG22 ILE A 71 0.488 -22.100 -15.764 1.00 24.51 H new ATOM 0 HG23 ILE A 71 1.637 -22.123 -14.405 1.00 24.51 H new ATOM 0 HD11 ILE A 71 0.790 -23.776 -11.222 1.00 62.10 H new ATOM 0 HD12 ILE A 71 0.376 -24.313 -12.868 1.00 62.10 H new ATOM 0 HD13 ILE A 71 1.708 -23.160 -12.617 1.00 62.10 H new ATOM 1091 N GLN A 72 1.440 -19.670 -15.423 1.00 63.33 N ATOM 1092 CA GLN A 72 2.786 -19.272 -15.814 1.00 40.53 C ATOM 1093 C GLN A 72 3.037 -17.804 -15.486 1.00 54.10 C ATOM 1094 O GLN A 72 4.181 -17.382 -15.316 1.00 42.42 O ATOM 1095 CB GLN A 72 2.999 -19.517 -17.309 1.00 52.54 C ATOM 1096 CG GLN A 72 2.800 -20.966 -17.722 1.00 31.22 C ATOM 1097 CD GLN A 72 3.103 -21.201 -19.188 1.00 32.44 C ATOM 1098 OE1 GLN A 72 2.195 -21.297 -20.015 1.00 40.42 O ATOM 1099 NE2 GLN A 72 4.386 -21.296 -19.520 1.00 13.04 N ATOM 0 H GLN A 72 0.788 -19.776 -16.201 1.00 63.33 H new ATOM 0 HA GLN A 72 3.495 -19.877 -15.249 1.00 40.53 H new ATOM 0 HB2 GLN A 72 2.310 -18.889 -17.873 1.00 52.54 H new ATOM 0 HB3 GLN A 72 4.008 -19.206 -17.580 1.00 52.54 H new ATOM 0 HG2 GLN A 72 3.442 -21.604 -17.115 1.00 31.22 H new ATOM 0 HG3 GLN A 72 1.771 -21.261 -17.516 1.00 31.22 H new ATOM 0 HE21 GLN A 72 5.106 -21.210 -18.803 1.00 13.04 H new ATOM 0 HE22 GLN A 72 4.651 -21.454 -20.492 1.00 13.04 H new ATOM 1108 N ASP A 73 1.961 -17.030 -15.399 1.00 11.34 N ATOM 1109 CA ASP A 73 2.064 -15.608 -15.092 1.00 60.22 C ATOM 1110 C ASP A 73 2.205 -15.386 -13.589 1.00 20.43 C ATOM 1111 O ASP A 73 2.388 -14.258 -13.134 1.00 61.12 O ATOM 1112 CB ASP A 73 0.837 -14.861 -15.617 1.00 14.21 C ATOM 1113 CG ASP A 73 1.095 -14.191 -16.952 1.00 1.51 C ATOM 1114 OD1 ASP A 73 1.632 -14.861 -17.858 1.00 23.43 O ATOM 1115 OD2 ASP A 73 0.761 -12.995 -17.091 1.00 50.53 O ATOM 0 H ASP A 73 1.007 -17.363 -15.537 1.00 11.34 H new ATOM 0 HA ASP A 73 2.955 -15.219 -15.584 1.00 60.22 H new ATOM 0 HB2 ASP A 73 0.006 -15.559 -15.719 1.00 14.21 H new ATOM 0 HB3 ASP A 73 0.534 -14.109 -14.889 1.00 14.21 H new ATOM 1120 N GLU A 74 2.117 -16.471 -12.826 1.00 41.34 N ATOM 1121 CA GLU A 74 2.234 -16.394 -11.374 1.00 54.41 C ATOM 1122 C GLU A 74 3.621 -15.905 -10.965 1.00 62.35 C ATOM 1123 O GLU A 74 4.625 -16.272 -11.574 1.00 32.41 O ATOM 1124 CB GLU A 74 1.955 -17.760 -10.744 1.00 53.00 C ATOM 1125 CG GLU A 74 3.134 -18.716 -10.818 1.00 53.41 C ATOM 1126 CD GLU A 74 2.832 -20.064 -10.194 1.00 32.13 C ATOM 1127 OE1 GLU A 74 2.038 -20.107 -9.232 1.00 25.24 O ATOM 1128 OE2 GLU A 74 3.390 -21.077 -10.667 1.00 3.52 O ATOM 0 H GLU A 74 1.965 -17.412 -13.188 1.00 41.34 H new ATOM 0 HA GLU A 74 1.495 -15.679 -11.013 1.00 54.41 H new ATOM 0 HB2 GLU A 74 1.677 -17.619 -9.699 1.00 53.00 H new ATOM 0 HB3 GLU A 74 1.099 -18.213 -11.243 1.00 53.00 H new ATOM 0 HG2 GLU A 74 3.417 -18.858 -11.861 1.00 53.41 H new ATOM 0 HG3 GLU A 74 3.991 -18.270 -10.313 1.00 53.41 H new ATOM 1135 N GLY A 75 3.667 -15.075 -9.928 1.00 44.24 N ATOM 1136 CA GLY A 75 4.934 -14.549 -9.455 1.00 41.13 C ATOM 1137 C GLY A 75 4.783 -13.212 -8.756 1.00 14.31 C ATOM 1138 O GLY A 75 3.833 -13.003 -8.000 1.00 75.05 O ATOM 0 H GLY A 75 2.850 -14.757 -9.407 1.00 44.24 H new ATOM 0 HA2 GLY A 75 5.388 -15.265 -8.769 1.00 41.13 H new ATOM 0 HA3 GLY A 75 5.616 -14.439 -10.298 1.00 41.13 H new ATOM 1142 N ILE A 76 5.721 -12.306 -9.007 1.00 50.31 N ATOM 1143 CA ILE A 76 5.688 -10.982 -8.396 1.00 31.45 C ATOM 1144 C ILE A 76 5.732 -9.887 -9.456 1.00 51.24 C ATOM 1145 O ILE A 76 6.582 -9.904 -10.346 1.00 51.51 O ATOM 1146 CB ILE A 76 6.861 -10.784 -7.418 1.00 35.14 C ATOM 1147 CG1 ILE A 76 6.933 -11.949 -6.430 1.00 33.33 C ATOM 1148 CG2 ILE A 76 6.716 -9.462 -6.679 1.00 75.12 C ATOM 1149 CD1 ILE A 76 8.019 -12.950 -6.753 1.00 74.01 C ATOM 0 H ILE A 76 6.514 -12.464 -9.629 1.00 50.31 H new ATOM 0 HA ILE A 76 4.751 -10.912 -7.844 1.00 31.45 H new ATOM 0 HB ILE A 76 7.790 -10.759 -7.988 1.00 35.14 H new ATOM 0 HG12 ILE A 76 7.100 -11.555 -5.428 1.00 33.33 H new ATOM 0 HG13 ILE A 76 5.971 -12.461 -6.414 1.00 33.33 H new ATOM 0 HG21 ILE A 76 7.552 -9.336 -5.991 1.00 75.12 H new ATOM 0 HG22 ILE A 76 6.710 -8.642 -7.397 1.00 75.12 H new ATOM 0 HG23 ILE A 76 5.781 -9.459 -6.118 1.00 75.12 H new ATOM 0 HD11 ILE A 76 8.011 -13.748 -6.010 1.00 74.01 H new ATOM 0 HD12 ILE A 76 7.842 -13.373 -7.742 1.00 74.01 H new ATOM 0 HD13 ILE A 76 8.988 -12.452 -6.740 1.00 74.01 H new ATOM 1161 N PHE A 77 4.812 -8.933 -9.352 1.00 41.04 N ATOM 1162 CA PHE A 77 4.746 -7.828 -10.300 1.00 30.13 C ATOM 1163 C PHE A 77 5.323 -6.554 -9.692 1.00 44.31 C ATOM 1164 O PHE A 77 5.168 -6.298 -8.497 1.00 72.23 O ATOM 1165 CB PHE A 77 3.299 -7.588 -10.737 1.00 72.21 C ATOM 1166 CG PHE A 77 3.058 -6.210 -11.283 1.00 53.40 C ATOM 1167 CD1 PHE A 77 2.698 -5.171 -10.441 1.00 4.40 C ATOM 1168 CD2 PHE A 77 3.191 -5.955 -12.639 1.00 42.45 C ATOM 1169 CE1 PHE A 77 2.476 -3.901 -10.940 1.00 41.02 C ATOM 1170 CE2 PHE A 77 2.970 -4.686 -13.143 1.00 34.43 C ATOM 1171 CZ PHE A 77 2.611 -3.659 -12.294 1.00 43.11 C ATOM 0 H PHE A 77 4.102 -8.904 -8.620 1.00 41.04 H new ATOM 0 HA PHE A 77 5.342 -8.095 -11.172 1.00 30.13 H new ATOM 0 HB2 PHE A 77 3.031 -8.323 -11.496 1.00 72.21 H new ATOM 0 HB3 PHE A 77 2.639 -7.753 -9.886 1.00 72.21 H new ATOM 0 HD1 PHE A 77 2.589 -5.355 -9.382 1.00 4.40 H new ATOM 0 HD2 PHE A 77 3.470 -6.755 -13.309 1.00 42.45 H new ATOM 0 HE1 PHE A 77 2.197 -3.099 -10.273 1.00 41.02 H new ATOM 0 HE2 PHE A 77 3.078 -4.499 -14.201 1.00 34.43 H new ATOM 0 HZ PHE A 77 2.436 -2.668 -12.687 1.00 43.11 H new ATOM 1181 N ARG A 78 5.988 -5.757 -10.522 1.00 50.15 N ATOM 1182 CA ARG A 78 6.591 -4.510 -10.065 1.00 23.22 C ATOM 1183 C ARG A 78 6.214 -3.355 -10.988 1.00 11.43 C ATOM 1184 O ARG A 78 6.059 -3.536 -12.196 1.00 23.44 O ATOM 1185 CB ARG A 78 8.113 -4.648 -9.998 1.00 64.23 C ATOM 1186 CG ARG A 78 8.579 -5.928 -9.323 1.00 50.42 C ATOM 1187 CD ARG A 78 9.154 -6.911 -10.331 1.00 51.31 C ATOM 1188 NE ARG A 78 10.270 -7.673 -9.777 1.00 61.22 N ATOM 1189 CZ ARG A 78 11.183 -8.286 -10.521 1.00 62.13 C ATOM 1190 NH1 ARG A 78 11.113 -8.226 -11.844 1.00 70.55 N ATOM 1191 NH2 ARG A 78 12.169 -8.961 -9.943 1.00 4.43 N ATOM 0 H ARG A 78 6.123 -5.952 -11.514 1.00 50.15 H new ATOM 0 HA ARG A 78 6.209 -4.295 -9.067 1.00 23.22 H new ATOM 0 HB2 ARG A 78 8.518 -4.613 -11.010 1.00 64.23 H new ATOM 0 HB3 ARG A 78 8.524 -3.793 -9.460 1.00 64.23 H new ATOM 0 HG2 ARG A 78 9.333 -5.691 -8.573 1.00 50.42 H new ATOM 0 HG3 ARG A 78 7.742 -6.390 -8.799 1.00 50.42 H new ATOM 0 HD2 ARG A 78 8.372 -7.597 -10.655 1.00 51.31 H new ATOM 0 HD3 ARG A 78 9.489 -6.369 -11.216 1.00 51.31 H new ATOM 0 HE ARG A 78 10.353 -7.738 -8.762 1.00 61.22 H new ATOM 0 HH11 ARG A 78 10.357 -7.708 -12.292 1.00 70.55 H new ATOM 0 HH12 ARG A 78 11.815 -8.698 -12.414 1.00 70.55 H new ATOM 0 HH21 ARG A 78 12.226 -9.009 -8.926 1.00 4.43 H new ATOM 0 HH22 ARG A 78 12.870 -9.431 -10.516 1.00 4.43 H new ATOM 1205 N CYS A 79 6.068 -2.167 -10.412 1.00 51.10 N ATOM 1206 CA CYS A 79 5.709 -0.982 -11.181 1.00 53.03 C ATOM 1207 C CYS A 79 6.698 0.152 -10.927 1.00 61.23 C ATOM 1208 O CYS A 79 7.296 0.238 -9.855 1.00 44.43 O ATOM 1209 CB CYS A 79 4.293 -0.526 -10.825 1.00 22.32 C ATOM 1210 SG CYS A 79 3.461 0.415 -12.144 1.00 64.13 S ATOM 0 H CYS A 79 6.193 -1.999 -9.414 1.00 51.10 H new ATOM 0 HA CYS A 79 5.745 -1.243 -12.239 1.00 53.03 H new ATOM 0 HB2 CYS A 79 3.691 -1.402 -10.583 1.00 22.32 H new ATOM 0 HB3 CYS A 79 4.336 0.089 -9.926 1.00 22.32 H new ATOM 1215 N GLN A 80 6.865 1.019 -11.921 1.00 2.24 N ATOM 1216 CA GLN A 80 7.782 2.147 -11.805 1.00 35.43 C ATOM 1217 C GLN A 80 7.174 3.407 -12.411 1.00 11.24 C ATOM 1218 O GLN A 80 6.656 3.383 -13.528 1.00 44.21 O ATOM 1219 CB GLN A 80 9.109 1.824 -12.493 1.00 14.51 C ATOM 1220 CG GLN A 80 9.502 2.834 -13.560 1.00 72.40 C ATOM 1221 CD GLN A 80 10.851 2.532 -14.181 1.00 54.45 C ATOM 1222 OE1 GLN A 80 11.441 1.480 -13.932 1.00 52.02 O ATOM 1223 NE2 GLN A 80 11.349 3.456 -14.995 1.00 43.13 N ATOM 0 H GLN A 80 6.377 0.962 -12.815 1.00 2.24 H new ATOM 0 HA GLN A 80 7.965 2.328 -10.746 1.00 35.43 H new ATOM 0 HB2 GLN A 80 9.897 1.777 -11.741 1.00 14.51 H new ATOM 0 HB3 GLN A 80 9.042 0.835 -12.947 1.00 14.51 H new ATOM 0 HG2 GLN A 80 8.742 2.846 -14.341 1.00 72.40 H new ATOM 0 HG3 GLN A 80 9.524 3.831 -13.120 1.00 72.40 H new ATOM 0 HE21 GLN A 80 10.826 4.314 -15.174 1.00 43.13 H new ATOM 0 HE22 GLN A 80 12.254 3.308 -15.442 1.00 43.13 H new ATOM 1232 N ALA A 81 7.240 4.507 -11.668 1.00 11.10 N ATOM 1233 CA ALA A 81 6.697 5.777 -12.134 1.00 51.23 C ATOM 1234 C ALA A 81 7.703 6.908 -11.939 1.00 31.54 C ATOM 1235 O ALA A 81 8.652 6.780 -11.168 1.00 40.41 O ATOM 1236 CB ALA A 81 5.398 6.093 -11.408 1.00 45.21 C ATOM 0 H ALA A 81 7.664 4.544 -10.741 1.00 11.10 H new ATOM 0 HA ALA A 81 6.492 5.688 -13.201 1.00 51.23 H new ATOM 0 HB1 ALA A 81 5.003 7.044 -11.766 1.00 45.21 H new ATOM 0 HB2 ALA A 81 4.672 5.303 -11.601 1.00 45.21 H new ATOM 0 HB3 ALA A 81 5.587 6.158 -10.336 1.00 45.21 H new ATOM 1242 N MET A 82 7.487 8.013 -12.646 1.00 73.41 N ATOM 1243 CA MET A 82 8.375 9.165 -12.550 1.00 20.33 C ATOM 1244 C MET A 82 7.579 10.445 -12.314 1.00 74.05 C ATOM 1245 O MET A 82 6.682 10.779 -13.084 1.00 5.52 O ATOM 1246 CB MET A 82 9.211 9.298 -13.825 1.00 42.44 C ATOM 1247 CG MET A 82 10.070 8.079 -14.119 1.00 23.41 C ATOM 1248 SD MET A 82 11.584 8.492 -15.005 1.00 51.23 S ATOM 1249 CE MET A 82 12.659 8.943 -13.645 1.00 14.33 C ATOM 0 H MET A 82 6.706 8.134 -13.291 1.00 73.41 H new ATOM 0 HA MET A 82 9.042 9.010 -11.702 1.00 20.33 H new ATOM 0 HB2 MET A 82 8.545 9.475 -14.669 1.00 42.44 H new ATOM 0 HB3 MET A 82 9.855 10.173 -13.738 1.00 42.44 H new ATOM 0 HG2 MET A 82 10.326 7.585 -13.181 1.00 23.41 H new ATOM 0 HG3 MET A 82 9.492 7.366 -14.708 1.00 23.41 H new ATOM 0 HE1 MET A 82 13.572 9.391 -14.036 1.00 14.33 H new ATOM 0 HE2 MET A 82 12.150 9.660 -13.001 1.00 14.33 H new ATOM 0 HE3 MET A 82 12.910 8.052 -13.069 1.00 14.33 H new ATOM 1259 N ASN A 83 7.917 11.156 -11.243 1.00 51.33 N ATOM 1260 CA ASN A 83 7.234 12.400 -10.905 1.00 74.31 C ATOM 1261 C ASN A 83 7.898 13.590 -11.592 1.00 33.22 C ATOM 1262 O ASN A 83 8.951 13.452 -12.213 1.00 71.14 O ATOM 1263 CB ASN A 83 7.231 12.609 -9.389 1.00 35.34 C ATOM 1264 CG ASN A 83 6.129 11.827 -8.701 1.00 3.43 C ATOM 1265 OD1 ASN A 83 5.145 12.401 -8.233 1.00 24.14 O ATOM 1266 ND2 ASN A 83 6.288 10.511 -8.636 1.00 61.10 N ATOM 0 H ASN A 83 8.659 10.892 -10.595 1.00 51.33 H new ATOM 0 HA ASN A 83 6.205 12.327 -11.257 1.00 74.31 H new ATOM 0 HB2 ASN A 83 8.196 12.308 -8.981 1.00 35.34 H new ATOM 0 HB3 ASN A 83 7.110 13.670 -9.171 1.00 35.34 H new ATOM 0 HD21 ASN A 83 5.579 9.933 -8.185 1.00 61.10 H new ATOM 0 HD22 ASN A 83 7.119 10.077 -9.037 1.00 61.10 H new ATOM 1273 N ARG A 84 7.273 14.757 -11.475 1.00 41.41 N ATOM 1274 CA ARG A 84 7.803 15.971 -12.085 1.00 61.12 C ATOM 1275 C ARG A 84 9.064 16.437 -11.363 1.00 33.53 C ATOM 1276 O ARG A 84 9.856 17.205 -11.908 1.00 33.45 O ATOM 1277 CB ARG A 84 6.750 17.081 -12.060 1.00 74.31 C ATOM 1278 CG ARG A 84 5.667 16.916 -13.113 1.00 34.12 C ATOM 1279 CD ARG A 84 4.317 16.612 -12.482 1.00 50.44 C ATOM 1280 NE ARG A 84 3.922 17.635 -11.518 1.00 22.32 N ATOM 1281 CZ ARG A 84 2.815 17.567 -10.787 1.00 64.23 C ATOM 1282 NH1 ARG A 84 1.997 16.530 -10.910 1.00 55.22 N ATOM 1283 NH2 ARG A 84 2.523 18.538 -9.931 1.00 64.31 N ATOM 0 H ARG A 84 6.400 14.888 -10.964 1.00 41.41 H new ATOM 0 HA ARG A 84 8.060 15.745 -13.120 1.00 61.12 H new ATOM 0 HB2 ARG A 84 6.286 17.108 -11.074 1.00 74.31 H new ATOM 0 HB3 ARG A 84 7.244 18.042 -12.206 1.00 74.31 H new ATOM 0 HG2 ARG A 84 5.595 17.827 -13.708 1.00 34.12 H new ATOM 0 HG3 ARG A 84 5.941 16.111 -13.795 1.00 34.12 H new ATOM 0 HD2 ARG A 84 3.560 16.538 -13.263 1.00 50.44 H new ATOM 0 HD3 ARG A 84 4.359 15.643 -11.985 1.00 50.44 H new ATOM 0 HE ARG A 84 4.529 18.446 -11.399 1.00 22.32 H new ATOM 0 HH11 ARG A 84 2.217 15.782 -11.567 1.00 55.22 H new ATOM 0 HH12 ARG A 84 1.148 16.481 -10.347 1.00 55.22 H new ATOM 0 HH21 ARG A 84 3.149 19.338 -9.834 1.00 64.31 H new ATOM 0 HH22 ARG A 84 1.673 18.485 -9.370 1.00 64.31 H new ATOM 1297 N ASN A 85 9.245 15.965 -10.134 1.00 64.01 N ATOM 1298 CA ASN A 85 10.409 16.334 -9.337 1.00 2.21 C ATOM 1299 C ASN A 85 11.659 15.614 -9.835 1.00 1.32 C ATOM 1300 O ASN A 85 12.781 16.042 -9.569 1.00 43.14 O ATOM 1301 CB ASN A 85 10.170 16.002 -7.862 1.00 12.34 C ATOM 1302 CG ASN A 85 10.967 16.895 -6.932 1.00 41.41 C ATOM 1303 OD1 ASN A 85 12.174 17.072 -7.106 1.00 24.43 O ATOM 1304 ND2 ASN A 85 10.296 17.464 -5.938 1.00 61.15 N ATOM 0 H ASN A 85 8.600 15.326 -9.668 1.00 64.01 H new ATOM 0 HA ASN A 85 10.563 17.408 -9.440 1.00 2.21 H new ATOM 0 HB2 ASN A 85 9.108 16.103 -7.637 1.00 12.34 H new ATOM 0 HB3 ASN A 85 10.437 14.961 -7.679 1.00 12.34 H new ATOM 0 HD21 ASN A 85 10.780 18.076 -5.281 1.00 61.15 H new ATOM 0 HD22 ASN A 85 9.297 17.289 -5.832 1.00 61.15 H new ATOM 1311 N GLY A 86 11.455 14.520 -10.560 1.00 33.54 N ATOM 1312 CA GLY A 86 12.574 13.759 -11.086 1.00 23.42 C ATOM 1313 C GLY A 86 12.788 12.455 -10.343 1.00 61.10 C ATOM 1314 O GLY A 86 13.613 11.632 -10.740 1.00 32.14 O ATOM 0 H GLY A 86 10.535 14.146 -10.793 1.00 33.54 H new ATOM 0 HA2 GLY A 86 12.402 13.548 -12.142 1.00 23.42 H new ATOM 0 HA3 GLY A 86 13.480 14.362 -11.025 1.00 23.42 H new ATOM 1318 N LYS A 87 12.044 12.265 -9.258 1.00 31.14 N ATOM 1319 CA LYS A 87 12.154 11.052 -8.456 1.00 75.04 C ATOM 1320 C LYS A 87 11.283 9.939 -9.029 1.00 61.22 C ATOM 1321 O LYS A 87 10.224 10.199 -9.598 1.00 44.20 O ATOM 1322 CB LYS A 87 11.752 11.335 -7.007 1.00 44.53 C ATOM 1323 CG LYS A 87 12.913 11.761 -6.125 1.00 4.04 C ATOM 1324 CD LYS A 87 12.507 12.866 -5.164 1.00 21.41 C ATOM 1325 CE LYS A 87 12.517 14.227 -5.843 1.00 4.43 C ATOM 1326 NZ LYS A 87 13.176 15.263 -5.000 1.00 62.23 N ATOM 0 H LYS A 87 11.358 12.937 -8.914 1.00 31.14 H new ATOM 0 HA LYS A 87 13.193 10.724 -8.480 1.00 75.04 H new ATOM 0 HB2 LYS A 87 10.992 12.117 -6.996 1.00 44.53 H new ATOM 0 HB3 LYS A 87 11.295 10.440 -6.584 1.00 44.53 H new ATOM 0 HG2 LYS A 87 13.277 10.902 -5.561 1.00 4.04 H new ATOM 0 HG3 LYS A 87 13.738 12.105 -6.749 1.00 4.04 H new ATOM 0 HD2 LYS A 87 11.511 12.661 -4.772 1.00 21.41 H new ATOM 0 HD3 LYS A 87 13.188 12.878 -4.313 1.00 21.41 H new ATOM 0 HE2 LYS A 87 13.036 14.152 -6.798 1.00 4.43 H new ATOM 0 HE3 LYS A 87 11.493 14.532 -6.059 1.00 4.43 H new ATOM 0 HZ1 LYS A 87 13.073 16.194 -5.451 1.00 62.23 H new ATOM 0 HZ2 LYS A 87 12.730 15.282 -4.061 1.00 62.23 H new ATOM 0 HZ3 LYS A 87 14.186 15.037 -4.899 1.00 62.23 H new ATOM 1340 N GLU A 88 11.736 8.699 -8.873 1.00 11.21 N ATOM 1341 CA GLU A 88 10.997 7.547 -9.375 1.00 5.34 C ATOM 1342 C GLU A 88 10.301 6.810 -8.234 1.00 34.45 C ATOM 1343 O GLU A 88 10.842 6.690 -7.135 1.00 23.45 O ATOM 1344 CB GLU A 88 11.935 6.593 -10.118 1.00 45.44 C ATOM 1345 CG GLU A 88 11.281 5.280 -10.510 1.00 3.21 C ATOM 1346 CD GLU A 88 12.269 4.288 -11.092 1.00 73.53 C ATOM 1347 OE1 GLU A 88 12.920 4.623 -12.104 1.00 5.43 O ATOM 1348 OE2 GLU A 88 12.392 3.176 -10.537 1.00 11.45 O ATOM 0 H GLU A 88 12.611 8.467 -8.403 1.00 11.21 H new ATOM 0 HA GLU A 88 10.238 7.908 -10.069 1.00 5.34 H new ATOM 0 HB2 GLU A 88 12.305 7.087 -11.016 1.00 45.44 H new ATOM 0 HB3 GLU A 88 12.800 6.385 -9.489 1.00 45.44 H new ATOM 0 HG2 GLU A 88 10.803 4.840 -9.634 1.00 3.21 H new ATOM 0 HG3 GLU A 88 10.494 5.474 -11.239 1.00 3.21 H new ATOM 1355 N THR A 89 9.097 6.314 -8.505 1.00 1.22 N ATOM 1356 CA THR A 89 8.326 5.590 -7.504 1.00 22.24 C ATOM 1357 C THR A 89 8.346 4.089 -7.774 1.00 43.42 C ATOM 1358 O THR A 89 8.125 3.647 -8.901 1.00 11.40 O ATOM 1359 CB THR A 89 6.864 6.072 -7.463 1.00 3.43 C ATOM 1360 OG1 THR A 89 6.750 7.346 -8.107 1.00 43.42 O ATOM 1361 CG2 THR A 89 6.368 6.177 -6.028 1.00 12.43 C ATOM 0 H THR A 89 8.636 6.401 -9.410 1.00 1.22 H new ATOM 0 HA THR A 89 8.794 5.790 -6.540 1.00 22.24 H new ATOM 0 HB THR A 89 6.249 5.342 -7.990 1.00 3.43 H new ATOM 0 HG1 THR A 89 6.519 8.029 -7.443 1.00 43.42 H new ATOM 0 HG21 THR A 89 5.333 6.519 -6.025 1.00 12.43 H new ATOM 0 HG22 THR A 89 6.428 5.199 -5.550 1.00 12.43 H new ATOM 0 HG23 THR A 89 6.987 6.888 -5.480 1.00 12.43 H new ATOM 1369 N LYS A 90 8.612 3.309 -6.731 1.00 13.14 N ATOM 1370 CA LYS A 90 8.659 1.858 -6.855 1.00 34.53 C ATOM 1371 C LYS A 90 7.421 1.217 -6.235 1.00 2.31 C ATOM 1372 O LYS A 90 6.907 1.692 -5.222 1.00 61.11 O ATOM 1373 CB LYS A 90 9.919 1.308 -6.184 1.00 53.35 C ATOM 1374 CG LYS A 90 11.143 1.322 -7.084 1.00 62.24 C ATOM 1375 CD LYS A 90 11.436 2.719 -7.606 1.00 32.42 C ATOM 1376 CE LYS A 90 11.712 3.693 -6.471 1.00 71.53 C ATOM 1377 NZ LYS A 90 12.886 3.275 -5.655 1.00 31.22 N ATOM 0 H LYS A 90 8.798 3.658 -5.791 1.00 13.14 H new ATOM 0 HA LYS A 90 8.682 1.611 -7.916 1.00 34.53 H new ATOM 0 HB2 LYS A 90 10.129 1.894 -5.289 1.00 53.35 H new ATOM 0 HB3 LYS A 90 9.730 0.285 -5.858 1.00 53.35 H new ATOM 0 HG2 LYS A 90 12.006 0.951 -6.532 1.00 62.24 H new ATOM 0 HG3 LYS A 90 10.986 0.644 -7.923 1.00 62.24 H new ATOM 0 HD2 LYS A 90 12.296 2.685 -8.275 1.00 32.42 H new ATOM 0 HD3 LYS A 90 10.589 3.074 -8.193 1.00 32.42 H new ATOM 0 HE2 LYS A 90 11.890 4.687 -6.881 1.00 71.53 H new ATOM 0 HE3 LYS A 90 10.832 3.764 -5.832 1.00 71.53 H new ATOM 0 HZ1 LYS A 90 13.157 4.048 -5.014 1.00 31.22 H new ATOM 0 HZ2 LYS A 90 12.639 2.433 -5.096 1.00 31.22 H new ATOM 0 HZ3 LYS A 90 13.684 3.051 -6.284 1.00 31.22 H new ATOM 1391 N SER A 91 6.948 0.138 -6.849 1.00 22.41 N ATOM 1392 CA SER A 91 5.768 -0.566 -6.358 1.00 52.12 C ATOM 1393 C SER A 91 5.897 -2.068 -6.586 1.00 72.11 C ATOM 1394 O SER A 91 6.142 -2.519 -7.704 1.00 13.12 O ATOM 1395 CB SER A 91 4.509 -0.040 -7.051 1.00 53.14 C ATOM 1396 OG SER A 91 4.580 1.363 -7.241 1.00 51.24 O ATOM 0 H SER A 91 7.363 -0.268 -7.687 1.00 22.41 H new ATOM 0 HA SER A 91 5.687 -0.385 -5.286 1.00 52.12 H new ATOM 0 HB2 SER A 91 4.387 -0.535 -8.014 1.00 53.14 H new ATOM 0 HB3 SER A 91 3.631 -0.285 -6.453 1.00 53.14 H new ATOM 0 HG SER A 91 4.368 1.578 -8.173 1.00 51.24 H new ATOM 1402 N ASN A 92 5.732 -2.840 -5.516 1.00 4.14 N ATOM 1403 CA ASN A 92 5.830 -4.292 -5.598 1.00 4.24 C ATOM 1404 C ASN A 92 4.513 -4.950 -5.197 1.00 72.24 C ATOM 1405 O ASN A 92 4.013 -4.740 -4.092 1.00 43.41 O ATOM 1406 CB ASN A 92 6.960 -4.799 -4.701 1.00 61.45 C ATOM 1407 CG ASN A 92 7.438 -6.183 -5.098 1.00 71.01 C ATOM 1408 OD1 ASN A 92 7.746 -6.357 -6.378 1.00 55.00 O flip ATOM 1409 ND2 ASN A 92 7.528 -7.083 -4.263 1.00 40.23 N flip ATOM 0 H ASN A 92 5.530 -2.483 -4.582 1.00 4.14 H new ATOM 0 HA ASN A 92 6.049 -4.558 -6.632 1.00 4.24 H new ATOM 0 HB2 ASN A 92 7.797 -4.102 -4.747 1.00 61.45 H new ATOM 0 HB3 ASN A 92 6.618 -4.819 -3.666 1.00 61.45 H new ATOM 0 HD21 ASN A 92 7.280 -6.903 -3.290 1.00 40.23 H new ATOM 0 HD22 ASN A 92 7.850 -8.009 -4.544 1.00 40.23 H new ATOM 1416 N TYR A 93 3.957 -5.748 -6.102 1.00 23.30 N ATOM 1417 CA TYR A 93 2.698 -6.436 -5.843 1.00 23.42 C ATOM 1418 C TYR A 93 2.821 -7.928 -6.137 1.00 70.13 C ATOM 1419 O TYR A 93 3.132 -8.328 -7.260 1.00 50.54 O ATOM 1420 CB TYR A 93 1.578 -5.829 -6.690 1.00 31.34 C ATOM 1421 CG TYR A 93 0.740 -4.814 -5.947 1.00 25.23 C ATOM 1422 CD1 TYR A 93 1.303 -3.643 -5.456 1.00 12.53 C ATOM 1423 CD2 TYR A 93 -0.618 -5.026 -5.736 1.00 53.45 C ATOM 1424 CE1 TYR A 93 0.541 -2.713 -4.777 1.00 11.24 C ATOM 1425 CE2 TYR A 93 -1.389 -4.100 -5.059 1.00 74.22 C ATOM 1426 CZ TYR A 93 -0.804 -2.946 -4.580 1.00 30.03 C ATOM 1427 OH TYR A 93 -1.567 -2.021 -3.905 1.00 20.21 O ATOM 0 H TYR A 93 4.358 -5.934 -7.021 1.00 23.30 H new ATOM 0 HA TYR A 93 2.456 -6.311 -4.788 1.00 23.42 H new ATOM 0 HB2 TYR A 93 2.015 -5.354 -7.568 1.00 31.34 H new ATOM 0 HB3 TYR A 93 0.931 -6.629 -7.049 1.00 31.34 H new ATOM 0 HD1 TYR A 93 2.356 -3.457 -5.608 1.00 12.53 H new ATOM 0 HD2 TYR A 93 -1.078 -5.930 -6.107 1.00 53.45 H new ATOM 0 HE1 TYR A 93 0.996 -1.808 -4.402 1.00 11.24 H new ATOM 0 HE2 TYR A 93 -2.443 -4.279 -4.906 1.00 74.22 H new ATOM 0 HH TYR A 93 -2.493 -2.336 -3.853 1.00 20.21 H new ATOM 1437 N ARG A 94 2.575 -8.748 -5.120 1.00 41.34 N ATOM 1438 CA ARG A 94 2.659 -10.195 -5.267 1.00 74.43 C ATOM 1439 C ARG A 94 1.367 -10.759 -5.850 1.00 14.43 C ATOM 1440 O ARG A 94 0.271 -10.412 -5.410 1.00 64.15 O ATOM 1441 CB ARG A 94 2.950 -10.851 -3.916 1.00 34.23 C ATOM 1442 CG ARG A 94 4.186 -10.300 -3.224 1.00 53.11 C ATOM 1443 CD ARG A 94 3.873 -9.837 -1.810 1.00 50.03 C ATOM 1444 NE ARG A 94 3.403 -10.933 -0.967 1.00 63.31 N ATOM 1445 CZ ARG A 94 3.216 -10.825 0.344 1.00 14.22 C ATOM 1446 NH1 ARG A 94 3.459 -9.675 0.958 1.00 25.22 N ATOM 1447 NH2 ARG A 94 2.785 -11.867 1.042 1.00 72.13 N ATOM 0 H ARG A 94 2.316 -8.434 -4.185 1.00 41.34 H new ATOM 0 HA ARG A 94 3.475 -10.417 -5.955 1.00 74.43 H new ATOM 0 HB2 ARG A 94 2.088 -10.716 -3.263 1.00 34.23 H new ATOM 0 HB3 ARG A 94 3.074 -11.924 -4.062 1.00 34.23 H new ATOM 0 HG2 ARG A 94 4.960 -11.067 -3.194 1.00 53.11 H new ATOM 0 HG3 ARG A 94 4.586 -9.466 -3.801 1.00 53.11 H new ATOM 0 HD2 ARG A 94 4.766 -9.396 -1.367 1.00 50.03 H new ATOM 0 HD3 ARG A 94 3.115 -9.055 -1.844 1.00 50.03 H new ATOM 0 HE ARG A 94 3.207 -11.831 -1.409 1.00 63.31 H new ATOM 0 HH11 ARG A 94 3.790 -8.872 0.424 1.00 25.22 H new ATOM 0 HH12 ARG A 94 3.315 -9.594 1.965 1.00 25.22 H new ATOM 0 HH21 ARG A 94 2.597 -12.753 0.572 1.00 72.13 H new ATOM 0 HH22 ARG A 94 2.642 -11.783 2.048 1.00 72.13 H new ATOM 1461 N VAL A 95 1.503 -11.629 -6.847 1.00 42.23 N ATOM 1462 CA VAL A 95 0.347 -12.240 -7.491 1.00 25.11 C ATOM 1463 C VAL A 95 0.391 -13.760 -7.372 1.00 5.20 C ATOM 1464 O VAL A 95 1.446 -14.374 -7.528 1.00 11.13 O ATOM 1465 CB VAL A 95 0.265 -11.855 -8.980 1.00 24.02 C ATOM 1466 CG1 VAL A 95 -0.805 -12.675 -9.685 1.00 74.44 C ATOM 1467 CG2 VAL A 95 -0.007 -10.366 -9.130 1.00 23.12 C ATOM 0 H VAL A 95 2.402 -11.926 -7.225 1.00 42.23 H new ATOM 0 HA VAL A 95 -0.537 -11.863 -6.977 1.00 25.11 H new ATOM 0 HB VAL A 95 1.224 -12.075 -9.448 1.00 24.02 H new ATOM 0 HG11 VAL A 95 -0.849 -12.389 -10.736 1.00 74.44 H new ATOM 0 HG12 VAL A 95 -0.562 -13.735 -9.607 1.00 74.44 H new ATOM 0 HG13 VAL A 95 -1.772 -12.489 -9.218 1.00 74.44 H new ATOM 0 HG21 VAL A 95 -0.062 -10.111 -10.188 1.00 23.12 H new ATOM 0 HG22 VAL A 95 -0.953 -10.118 -8.648 1.00 23.12 H new ATOM 0 HG23 VAL A 95 0.798 -9.800 -8.662 1.00 23.12 H new ATOM 1477 N ARG A 96 -0.762 -14.360 -7.093 1.00 55.02 N ATOM 1478 CA ARG A 96 -0.854 -15.808 -6.952 1.00 2.11 C ATOM 1479 C ARG A 96 -1.986 -16.366 -7.811 1.00 32.11 C ATOM 1480 O ARG A 96 -3.033 -15.736 -7.963 1.00 60.21 O ATOM 1481 CB ARG A 96 -1.078 -16.185 -5.487 1.00 63.23 C ATOM 1482 CG ARG A 96 -1.500 -17.632 -5.288 1.00 4.23 C ATOM 1483 CD ARG A 96 -0.345 -18.589 -5.540 1.00 24.20 C ATOM 1484 NE ARG A 96 -0.733 -19.981 -5.330 1.00 52.30 N ATOM 1485 CZ ARG A 96 -0.806 -20.551 -4.132 1.00 10.13 C ATOM 1486 NH1 ARG A 96 -0.521 -19.851 -3.043 1.00 74.42 N ATOM 1487 NH2 ARG A 96 -1.167 -21.824 -4.023 1.00 40.51 N ATOM 0 H ARG A 96 -1.644 -13.866 -6.960 1.00 55.02 H new ATOM 0 HA ARG A 96 0.086 -16.242 -7.292 1.00 2.11 H new ATOM 0 HB2 ARG A 96 -0.159 -16.003 -4.929 1.00 63.23 H new ATOM 0 HB3 ARG A 96 -1.841 -15.531 -5.065 1.00 63.23 H new ATOM 0 HG2 ARG A 96 -1.871 -17.767 -4.272 1.00 4.23 H new ATOM 0 HG3 ARG A 96 -2.323 -17.868 -5.962 1.00 4.23 H new ATOM 0 HD2 ARG A 96 0.014 -18.463 -6.561 1.00 24.20 H new ATOM 0 HD3 ARG A 96 0.484 -18.340 -4.877 1.00 24.20 H new ATOM 0 HE ARG A 96 -0.960 -20.547 -6.148 1.00 52.30 H new ATOM 0 HH11 ARG A 96 -0.245 -18.872 -3.124 1.00 74.42 H new ATOM 0 HH12 ARG A 96 -0.578 -20.291 -2.125 1.00 74.42 H new ATOM 0 HH21 ARG A 96 -1.388 -22.365 -4.859 1.00 40.51 H new ATOM 0 HH22 ARG A 96 -1.223 -22.261 -3.103 1.00 40.51 H new ATOM 1501 N VAL A 97 -1.767 -17.551 -8.371 1.00 73.41 N ATOM 1502 CA VAL A 97 -2.767 -18.196 -9.214 1.00 13.43 C ATOM 1503 C VAL A 97 -3.317 -19.453 -8.551 1.00 5.42 C ATOM 1504 O VAL A 97 -2.958 -19.778 -7.419 1.00 21.42 O ATOM 1505 CB VAL A 97 -2.186 -18.567 -10.591 1.00 42.11 C ATOM 1506 CG1 VAL A 97 -1.464 -17.376 -11.205 1.00 75.55 C ATOM 1507 CG2 VAL A 97 -1.253 -19.763 -10.471 1.00 51.52 C ATOM 0 H VAL A 97 -0.905 -18.085 -8.256 1.00 73.41 H new ATOM 0 HA VAL A 97 -3.576 -17.478 -9.351 1.00 13.43 H new ATOM 0 HB VAL A 97 -3.009 -18.842 -11.251 1.00 42.11 H new ATOM 0 HG11 VAL A 97 -1.060 -17.657 -12.178 1.00 75.55 H new ATOM 0 HG12 VAL A 97 -2.164 -16.550 -11.328 1.00 75.55 H new ATOM 0 HG13 VAL A 97 -0.650 -17.067 -10.550 1.00 75.55 H new ATOM 0 HG21 VAL A 97 -0.852 -20.011 -11.453 1.00 51.52 H new ATOM 0 HG22 VAL A 97 -0.433 -19.519 -9.795 1.00 51.52 H new ATOM 0 HG23 VAL A 97 -1.805 -20.617 -10.078 1.00 51.52 H new ATOM 1517 N TYR A 98 -4.191 -20.156 -9.263 1.00 34.41 N ATOM 1518 CA TYR A 98 -4.793 -21.378 -8.743 1.00 54.14 C ATOM 1519 C TYR A 98 -3.744 -22.474 -8.575 1.00 14.23 C ATOM 1520 O TYR A 98 -3.259 -22.718 -7.471 1.00 75.32 O ATOM 1521 CB TYR A 98 -5.905 -21.860 -9.676 1.00 74.04 C ATOM 1522 CG TYR A 98 -6.505 -23.186 -9.267 1.00 30.42 C ATOM 1523 CD1 TYR A 98 -6.884 -23.425 -7.952 1.00 42.31 C ATOM 1524 CD2 TYR A 98 -6.695 -24.201 -10.197 1.00 31.44 C ATOM 1525 CE1 TYR A 98 -7.432 -24.635 -7.575 1.00 24.41 C ATOM 1526 CE2 TYR A 98 -7.244 -25.415 -9.829 1.00 41.01 C ATOM 1527 CZ TYR A 98 -7.610 -25.627 -8.516 1.00 21.24 C ATOM 1528 OH TYR A 98 -8.157 -26.833 -8.145 1.00 22.41 O ATOM 0 H TYR A 98 -4.498 -19.901 -10.201 1.00 34.41 H new ATOM 0 HA TYR A 98 -5.219 -21.155 -7.765 1.00 54.14 H new ATOM 0 HB2 TYR A 98 -6.693 -21.108 -9.707 1.00 74.04 H new ATOM 0 HB3 TYR A 98 -5.507 -21.947 -10.687 1.00 74.04 H new ATOM 0 HD1 TYR A 98 -6.748 -22.651 -7.212 1.00 42.31 H new ATOM 0 HD2 TYR A 98 -6.409 -24.038 -11.226 1.00 31.44 H new ATOM 0 HE1 TYR A 98 -7.720 -24.804 -6.548 1.00 24.41 H new ATOM 0 HE2 TYR A 98 -7.386 -26.193 -10.565 1.00 41.01 H new ATOM 0 HH TYR A 98 -8.215 -27.421 -8.927 1.00 22.41 H new ATOM 1538 N GLN A 99 -3.399 -23.129 -9.680 1.00 4.43 N ATOM 1539 CA GLN A 99 -2.408 -24.197 -9.656 1.00 21.30 C ATOM 1540 C GLN A 99 -1.041 -23.663 -9.244 1.00 73.04 C ATOM 1541 O GLN A 99 -0.676 -22.538 -9.584 1.00 43.11 O ATOM 1542 CB GLN A 99 -2.316 -24.867 -11.028 1.00 51.24 C ATOM 1543 CG GLN A 99 -2.603 -26.359 -10.998 1.00 10.24 C ATOM 1544 CD GLN A 99 -3.976 -26.678 -10.440 1.00 45.24 C ATOM 1545 OE1 GLN A 99 -4.032 -26.999 -9.153 1.00 12.25 O flip ATOM 1546 NE2 GLN A 99 -4.976 -26.635 -11.157 1.00 62.34 N flip ATOM 0 H GLN A 99 -3.791 -22.938 -10.602 1.00 4.43 H new ATOM 0 HA GLN A 99 -2.725 -24.936 -8.920 1.00 21.30 H new ATOM 0 HB2 GLN A 99 -3.019 -24.384 -11.707 1.00 51.24 H new ATOM 0 HB3 GLN A 99 -1.318 -24.706 -11.435 1.00 51.24 H new ATOM 0 HG2 GLN A 99 -2.523 -26.761 -12.008 1.00 10.24 H new ATOM 0 HG3 GLN A 99 -1.845 -26.859 -10.395 1.00 10.24 H new ATOM 0 HE21 GLN A 99 -4.887 -26.383 -12.141 1.00 62.34 H new ATOM 0 HE22 GLN A 99 -5.893 -26.851 -10.766 1.00 62.34 H new ATOM 1555 N ILE A 100 -0.290 -24.477 -8.510 1.00 40.03 N ATOM 1556 CA ILE A 100 1.038 -24.086 -8.053 1.00 52.31 C ATOM 1557 C ILE A 100 2.101 -25.058 -8.554 1.00 24.44 C ATOM 1558 O ILE A 100 1.813 -26.197 -8.921 1.00 24.50 O ATOM 1559 CB ILE A 100 1.106 -24.016 -6.516 1.00 72.05 C ATOM 1560 CG1 ILE A 100 -0.038 -24.821 -5.896 1.00 20.52 C ATOM 1561 CG2 ILE A 100 1.058 -22.569 -6.048 1.00 31.24 C ATOM 1562 CD1 ILE A 100 0.023 -24.894 -4.386 1.00 11.51 C ATOM 0 H ILE A 100 -0.578 -25.411 -8.219 1.00 40.03 H new ATOM 0 HA ILE A 100 1.234 -23.095 -8.463 1.00 52.31 H new ATOM 0 HB ILE A 100 2.050 -24.451 -6.189 1.00 72.05 H new ATOM 0 HG12 ILE A 100 -0.987 -24.375 -6.192 1.00 20.52 H new ATOM 0 HG13 ILE A 100 -0.021 -25.833 -6.302 1.00 20.52 H new ATOM 0 HG21 ILE A 100 1.107 -22.537 -4.960 1.00 31.24 H new ATOM 0 HG22 ILE A 100 1.904 -22.023 -6.466 1.00 31.24 H new ATOM 0 HG23 ILE A 100 0.128 -22.109 -6.383 1.00 31.24 H new ATOM 0 HD11 ILE A 100 -0.818 -25.480 -4.016 1.00 11.51 H new ATOM 0 HD12 ILE A 100 0.956 -25.368 -4.082 1.00 11.51 H new ATOM 0 HD13 ILE A 100 -0.025 -23.887 -3.971 1.00 11.51 H new ATOM 1574 N PRO A 101 3.362 -24.600 -8.570 1.00 3.03 N ATOM 1575 CA PRO A 101 4.494 -25.414 -9.022 1.00 3.42 C ATOM 1576 C PRO A 101 4.815 -26.549 -8.055 1.00 2.53 C ATOM 1577 O PRO A 101 4.403 -26.524 -6.896 1.00 72.42 O ATOM 1578 CB PRO A 101 5.651 -24.413 -9.075 1.00 52.31 C ATOM 1579 CG PRO A 101 5.278 -23.350 -8.099 1.00 24.02 C ATOM 1580 CD PRO A 101 3.778 -23.252 -8.148 1.00 42.04 C ATOM 0 HA PRO A 101 4.290 -25.902 -9.975 1.00 3.42 H new ATOM 0 HB2 PRO A 101 6.595 -24.885 -8.804 1.00 52.31 H new ATOM 0 HB3 PRO A 101 5.775 -24.004 -10.078 1.00 52.31 H new ATOM 0 HG2 PRO A 101 5.620 -23.604 -7.096 1.00 24.02 H new ATOM 0 HG3 PRO A 101 5.740 -22.399 -8.362 1.00 24.02 H new ATOM 0 HD2 PRO A 101 3.361 -22.988 -7.176 1.00 42.04 H new ATOM 0 HD3 PRO A 101 3.448 -22.490 -8.854 1.00 42.04 H new