USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 753 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 43 ASN :FLIP amide:sc= 0.97 F(o=-4.5,f=2.1) USER MOD Set 1.2: A 68 TYR OH : rot 140:sc= 1.15 USER MOD Set 2.1: A 29 HIS : no HD1:sc= -5.25! C(o=-6.2!,f=-11!) USER MOD Set 2.2: A 49 LYS NZ :NH3+ 171:sc= -0.947 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -75:sc= 1.96 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -19:sc= 0.0896 USER MOD Single : A 27 ASN : amide:sc= -1.58 K(o=-1.6,f=-4.8!) USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= -7.41! (180deg=-8.58!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.32 K(o=-1.3,f=-3.1!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0916 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 62 GLN : amide:sc= -0.538 X(o=-0.54,f=-0.56) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -157:sc= 0 (180deg=-0.363) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 89 LYS NZ :NH3+ -178:sc= -3.7! (180deg=-3.71) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.723 -20.016 -7.447 1.00 0.00 N ATOM 2 CA MET A 1 -0.550 -20.881 -7.134 1.00 0.00 C ATOM 3 C MET A 1 0.659 -19.999 -6.853 1.00 0.00 C ATOM 4 O MET A 1 1.019 -19.144 -7.662 1.00 0.00 O ATOM 5 CB MET A 1 -0.262 -21.802 -8.324 1.00 0.00 C ATOM 6 CG MET A 1 0.881 -22.758 -7.970 1.00 0.00 C ATOM 7 SD MET A 1 1.095 -23.968 -9.301 1.00 0.00 S ATOM 8 CE MET A 1 2.216 -22.997 -10.339 1.00 0.00 C ATOM 0 H1 MET A 1 -2.553 -20.613 -7.640 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.923 -19.396 -6.636 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.512 -19.435 -8.283 1.00 0.00 H new ATOM 0 HA MET A 1 -0.763 -21.492 -6.257 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.156 -22.369 -8.583 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.004 -21.209 -9.199 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.804 -22.198 -7.822 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.664 -23.269 -7.032 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.476 -23.570 -11.229 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.726 -22.070 -10.635 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.122 -22.765 -9.779 1.00 0.00 H new ATOM 20 N GLU A 2 1.280 -20.210 -5.695 1.00 0.00 N ATOM 21 CA GLU A 2 2.450 -19.427 -5.306 1.00 0.00 C ATOM 22 C GLU A 2 2.191 -17.929 -5.503 1.00 0.00 C ATOM 23 O GLU A 2 2.731 -17.315 -6.422 1.00 0.00 O ATOM 24 CB GLU A 2 3.664 -19.864 -6.131 1.00 0.00 C ATOM 25 CG GLU A 2 4.011 -21.323 -5.804 1.00 0.00 C ATOM 26 CD GLU A 2 4.598 -21.425 -4.398 1.00 0.00 C ATOM 27 OE1 GLU A 2 5.757 -21.084 -4.235 1.00 0.00 O ATOM 28 OE2 GLU A 2 3.878 -21.845 -3.506 1.00 0.00 O ATOM 0 H GLU A 2 0.995 -20.913 -5.013 1.00 0.00 H new ATOM 0 HA GLU A 2 2.651 -19.603 -4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.450 -19.760 -7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.516 -19.219 -5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.117 -21.942 -5.878 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.725 -21.706 -6.533 1.00 0.00 H new ATOM 35 N PRO A 3 1.377 -17.338 -4.655 1.00 0.00 N ATOM 36 CA PRO A 3 1.045 -15.882 -4.739 1.00 0.00 C ATOM 37 C PRO A 3 2.298 -15.006 -4.686 1.00 0.00 C ATOM 38 O PRO A 3 3.297 -15.370 -4.064 1.00 0.00 O ATOM 39 CB PRO A 3 0.127 -15.643 -3.514 1.00 0.00 C ATOM 40 CG PRO A 3 -0.440 -16.993 -3.197 1.00 0.00 C ATOM 41 CD PRO A 3 0.677 -17.986 -3.529 1.00 0.00 C ATOM 0 HA PRO A 3 0.565 -15.618 -5.682 1.00 0.00 H new ATOM 0 HB2 PRO A 3 0.688 -15.241 -2.671 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -0.661 -14.926 -3.743 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -0.729 -17.062 -2.148 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.334 -17.193 -3.788 1.00 0.00 H new ATOM 0 HD2 PRO A 3 1.341 -18.145 -2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 3 0.279 -18.961 -3.809 1.00 0.00 H new ATOM 49 N THR A 4 2.232 -13.853 -5.350 1.00 0.00 N ATOM 50 CA THR A 4 3.361 -12.926 -5.384 1.00 0.00 C ATOM 51 C THR A 4 3.420 -12.129 -4.085 1.00 0.00 C ATOM 52 O THR A 4 2.923 -11.007 -4.007 1.00 0.00 O ATOM 53 CB THR A 4 3.213 -11.958 -6.573 1.00 0.00 C ATOM 54 OG1 THR A 4 4.007 -10.805 -6.339 1.00 0.00 O ATOM 55 CG2 THR A 4 1.743 -11.537 -6.738 1.00 0.00 C ATOM 0 H THR A 4 1.412 -13.540 -5.870 1.00 0.00 H new ATOM 0 HA THR A 4 4.281 -13.499 -5.498 1.00 0.00 H new ATOM 0 HB THR A 4 3.542 -12.460 -7.483 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.574 -10.241 -5.664 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.653 -10.853 -7.582 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.130 -12.420 -6.919 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.403 -11.039 -5.830 1.00 0.00 H new ATOM 63 N ALA A 5 4.035 -12.723 -3.064 1.00 0.00 N ATOM 64 CA ALA A 5 4.158 -12.067 -1.763 1.00 0.00 C ATOM 65 C ALA A 5 5.239 -10.994 -1.805 1.00 0.00 C ATOM 66 O ALA A 5 5.441 -10.278 -0.826 1.00 0.00 O ATOM 67 CB ALA A 5 4.506 -13.097 -0.686 1.00 0.00 C ATOM 0 H ALA A 5 4.454 -13.652 -3.111 1.00 0.00 H new ATOM 0 HA ALA A 5 3.203 -11.599 -1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.595 -12.598 0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.719 -13.849 -0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.452 -13.578 -0.935 1.00 0.00 H new ATOM 73 N PHE A 6 5.932 -10.904 -2.941 1.00 0.00 N ATOM 74 CA PHE A 6 7.005 -9.926 -3.115 1.00 0.00 C ATOM 75 C PHE A 6 8.089 -10.128 -2.060 1.00 0.00 C ATOM 76 O PHE A 6 7.807 -10.521 -0.933 1.00 0.00 O ATOM 77 CB PHE A 6 6.446 -8.497 -3.022 1.00 0.00 C ATOM 78 CG PHE A 6 5.511 -8.238 -4.186 1.00 0.00 C ATOM 79 CD1 PHE A 6 4.140 -8.500 -4.059 1.00 0.00 C ATOM 80 CD2 PHE A 6 6.017 -7.737 -5.394 1.00 0.00 C ATOM 81 CE1 PHE A 6 3.278 -8.259 -5.136 1.00 0.00 C ATOM 82 CE2 PHE A 6 5.154 -7.497 -6.469 1.00 0.00 C ATOM 83 CZ PHE A 6 3.785 -7.757 -6.340 1.00 0.00 C ATOM 0 H PHE A 6 5.769 -11.497 -3.754 1.00 0.00 H new ATOM 0 HA PHE A 6 7.444 -10.072 -4.102 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.915 -8.365 -2.080 1.00 0.00 H new ATOM 0 HB3 PHE A 6 7.263 -7.775 -3.031 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.748 -8.888 -3.130 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.073 -7.536 -5.495 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.222 -8.461 -5.037 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.545 -7.111 -7.399 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.120 -7.570 -7.170 1.00 0.00 H new ATOM 93 N SER A 7 9.338 -9.862 -2.435 1.00 0.00 N ATOM 94 CA SER A 7 10.464 -10.015 -1.510 1.00 0.00 C ATOM 95 C SER A 7 10.747 -8.698 -0.803 1.00 0.00 C ATOM 96 O SER A 7 10.046 -7.711 -1.007 1.00 0.00 O ATOM 97 CB SER A 7 11.712 -10.450 -2.273 1.00 0.00 C ATOM 98 OG SER A 7 11.453 -11.682 -2.933 1.00 0.00 O ATOM 0 H SER A 7 9.598 -9.541 -3.368 1.00 0.00 H new ATOM 0 HA SER A 7 10.203 -10.774 -0.772 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.993 -9.687 -2.999 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.552 -10.561 -1.587 1.00 0.00 H new ATOM 0 HG SER A 7 12.252 -11.964 -3.426 1.00 0.00 H new ATOM 104 N GLY A 8 11.780 -8.691 0.028 1.00 0.00 N ATOM 105 CA GLY A 8 12.156 -7.484 0.758 1.00 0.00 C ATOM 106 C GLY A 8 12.775 -6.451 -0.179 1.00 0.00 C ATOM 107 O GLY A 8 12.640 -5.246 0.031 1.00 0.00 O ATOM 0 H GLY A 8 12.371 -9.501 0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.277 -7.060 1.244 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.865 -7.737 1.546 1.00 0.00 H new ATOM 111 N SER A 9 13.464 -6.938 -1.207 1.00 0.00 N ATOM 112 CA SER A 9 14.119 -6.060 -2.170 1.00 0.00 C ATOM 113 C SER A 9 13.092 -5.327 -3.020 1.00 0.00 C ATOM 114 O SER A 9 13.407 -4.322 -3.659 1.00 0.00 O ATOM 115 CB SER A 9 15.037 -6.881 -3.075 1.00 0.00 C ATOM 116 OG SER A 9 15.708 -6.010 -3.975 1.00 0.00 O ATOM 0 H SER A 9 13.583 -7.934 -1.394 1.00 0.00 H new ATOM 0 HA SER A 9 14.705 -5.324 -1.620 1.00 0.00 H new ATOM 0 HB2 SER A 9 15.762 -7.431 -2.475 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.456 -7.619 -3.629 1.00 0.00 H new ATOM 0 HG SER A 9 15.229 -5.156 -4.022 1.00 0.00 H new ATOM 122 N ASP A 10 11.867 -5.833 -3.026 1.00 0.00 N ATOM 123 CA ASP A 10 10.804 -5.214 -3.805 1.00 0.00 C ATOM 124 C ASP A 10 10.447 -3.863 -3.207 1.00 0.00 C ATOM 125 O ASP A 10 10.504 -3.681 -1.989 1.00 0.00 O ATOM 126 CB ASP A 10 9.568 -6.119 -3.819 1.00 0.00 C ATOM 127 CG ASP A 10 9.860 -7.394 -4.609 1.00 0.00 C ATOM 128 OD1 ASP A 10 10.837 -7.406 -5.339 1.00 0.00 O ATOM 129 OD2 ASP A 10 9.103 -8.339 -4.471 1.00 0.00 O ATOM 0 H ASP A 10 11.586 -6.664 -2.505 1.00 0.00 H new ATOM 0 HA ASP A 10 11.151 -5.073 -4.829 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.281 -6.372 -2.798 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.726 -5.590 -4.265 1.00 0.00 H new ATOM 134 N VAL A 11 10.077 -2.917 -4.071 1.00 0.00 N ATOM 135 CA VAL A 11 9.708 -1.566 -3.635 1.00 0.00 C ATOM 136 C VAL A 11 8.349 -1.158 -4.235 1.00 0.00 C ATOM 137 O VAL A 11 8.275 -0.789 -5.405 1.00 0.00 O ATOM 138 CB VAL A 11 10.799 -0.572 -4.073 1.00 0.00 C ATOM 139 CG1 VAL A 11 12.094 -0.918 -3.321 1.00 0.00 C ATOM 140 CG2 VAL A 11 11.042 -0.630 -5.613 1.00 0.00 C ATOM 0 H VAL A 11 10.024 -3.060 -5.080 1.00 0.00 H new ATOM 0 HA VAL A 11 9.621 -1.554 -2.549 1.00 0.00 H new ATOM 0 HB VAL A 11 10.476 0.441 -3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.882 -0.225 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.924 -0.838 -2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 11 12.396 -1.937 -3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.818 0.085 -5.886 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.359 -1.634 -5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.119 -0.381 -6.137 1.00 0.00 H new ATOM 150 N PRO A 12 7.275 -1.196 -3.465 1.00 0.00 N ATOM 151 CA PRO A 12 5.921 -0.786 -3.965 1.00 0.00 C ATOM 152 C PRO A 12 5.922 0.636 -4.530 1.00 0.00 C ATOM 153 O PRO A 12 6.597 1.519 -4.007 1.00 0.00 O ATOM 154 CB PRO A 12 5.020 -0.874 -2.707 1.00 0.00 C ATOM 155 CG PRO A 12 5.715 -1.846 -1.807 1.00 0.00 C ATOM 156 CD PRO A 12 7.212 -1.652 -2.059 1.00 0.00 C ATOM 0 HA PRO A 12 5.581 -1.419 -4.785 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.911 0.100 -2.229 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.017 -1.218 -2.962 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.467 -1.658 -0.762 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.411 -2.869 -2.028 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.640 -0.915 -1.380 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.766 -2.579 -1.914 1.00 0.00 H new ATOM 164 N ARG A 13 5.147 0.855 -5.595 1.00 0.00 N ATOM 165 CA ARG A 13 5.054 2.184 -6.205 1.00 0.00 C ATOM 166 C ARG A 13 3.693 2.365 -6.863 1.00 0.00 C ATOM 167 O ARG A 13 3.302 1.582 -7.729 1.00 0.00 O ATOM 168 CB ARG A 13 6.161 2.358 -7.241 1.00 0.00 C ATOM 169 CG ARG A 13 6.119 3.783 -7.799 1.00 0.00 C ATOM 170 CD ARG A 13 7.278 3.979 -8.769 1.00 0.00 C ATOM 171 NE ARG A 13 7.336 5.373 -9.199 1.00 0.00 N ATOM 172 CZ ARG A 13 6.569 5.828 -10.188 1.00 0.00 C ATOM 173 NH1 ARG A 13 6.649 7.077 -10.549 1.00 0.00 N ATOM 174 NH2 ARG A 13 5.735 5.024 -10.790 1.00 0.00 N ATOM 0 H ARG A 13 4.581 0.138 -6.049 1.00 0.00 H new ATOM 0 HA ARG A 13 5.172 2.939 -5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.132 2.162 -6.787 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.035 1.636 -8.048 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.171 3.959 -8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.184 4.506 -6.986 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.216 3.698 -8.290 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.154 3.327 -9.634 1.00 0.00 H new ATOM 0 HE ARG A 13 7.978 6.013 -8.731 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.298 7.704 -10.074 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.062 7.428 -11.306 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.671 4.047 -10.503 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.148 5.372 -11.547 1.00 0.00 H new ATOM 188 N LEU A 14 2.969 3.396 -6.442 1.00 0.00 N ATOM 189 CA LEU A 14 1.644 3.658 -6.989 1.00 0.00 C ATOM 190 C LEU A 14 1.726 4.134 -8.453 1.00 0.00 C ATOM 191 O LEU A 14 2.326 5.174 -8.731 1.00 0.00 O ATOM 192 CB LEU A 14 0.926 4.707 -6.145 1.00 0.00 C ATOM 193 CG LEU A 14 0.834 4.228 -4.685 1.00 0.00 C ATOM 194 CD1 LEU A 14 0.275 5.364 -3.825 1.00 0.00 C ATOM 195 CD2 LEU A 14 -0.087 2.988 -4.563 1.00 0.00 C ATOM 0 H LEU A 14 3.274 4.059 -5.729 1.00 0.00 H new ATOM 0 HA LEU A 14 1.082 2.725 -6.965 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.462 5.655 -6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.073 4.885 -6.543 1.00 0.00 H new ATOM 0 HG LEU A 14 1.831 3.948 -4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.206 5.035 -2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.937 6.228 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.716 5.639 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.134 2.671 -3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.088 3.243 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.312 2.177 -5.172 1.00 0.00 H new ATOM 207 N PRO A 15 1.145 3.409 -9.398 1.00 0.00 N ATOM 208 CA PRO A 15 1.175 3.805 -10.839 1.00 0.00 C ATOM 209 C PRO A 15 0.160 4.901 -11.153 1.00 0.00 C ATOM 210 O PRO A 15 -0.737 5.180 -10.356 1.00 0.00 O ATOM 211 CB PRO A 15 0.842 2.495 -11.577 1.00 0.00 C ATOM 212 CG PRO A 15 -0.059 1.754 -10.636 1.00 0.00 C ATOM 213 CD PRO A 15 0.396 2.145 -9.216 1.00 0.00 C ATOM 0 HA PRO A 15 2.134 4.228 -11.136 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.348 2.690 -12.529 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.743 1.923 -11.797 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.102 2.025 -10.800 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.018 0.677 -10.788 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.456 2.282 -8.550 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.025 1.372 -8.774 1.00 0.00 H new ATOM 221 N ARG A 16 0.304 5.506 -12.326 1.00 0.00 N ATOM 222 CA ARG A 16 -0.611 6.558 -12.749 1.00 0.00 C ATOM 223 C ARG A 16 -2.048 6.055 -12.710 1.00 0.00 C ATOM 224 O ARG A 16 -2.296 4.855 -12.834 1.00 0.00 O ATOM 225 CB ARG A 16 -0.268 7.013 -14.171 1.00 0.00 C ATOM 226 CG ARG A 16 -0.385 5.828 -15.137 1.00 0.00 C ATOM 227 CD ARG A 16 0.110 6.245 -16.524 1.00 0.00 C ATOM 228 NE ARG A 16 -0.772 7.261 -17.093 1.00 0.00 N ATOM 229 CZ ARG A 16 -1.986 6.951 -17.541 1.00 0.00 C ATOM 230 NH1 ARG A 16 -2.749 7.875 -18.056 1.00 0.00 N ATOM 231 NH2 ARG A 16 -2.416 5.721 -17.462 1.00 0.00 N ATOM 0 H ARG A 16 1.041 5.288 -12.997 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.509 7.401 -12.066 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.941 7.813 -14.479 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.743 7.419 -14.199 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.201 4.986 -14.769 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.421 5.494 -15.195 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.126 6.634 -16.453 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.146 5.376 -17.181 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.451 8.228 -17.148 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.415 8.837 -18.116 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.679 7.636 -18.399 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.821 4.998 -17.057 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.347 5.483 -17.805 1.00 0.00 H new ATOM 245 N GLY A 17 -2.988 6.978 -12.548 1.00 0.00 N ATOM 246 CA GLY A 17 -4.406 6.626 -12.506 1.00 0.00 C ATOM 247 C GLY A 17 -4.826 6.196 -11.106 1.00 0.00 C ATOM 248 O GLY A 17 -6.018 6.129 -10.802 1.00 0.00 O ATOM 0 H GLY A 17 -2.797 7.974 -12.444 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.005 7.480 -12.822 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.604 5.819 -13.212 1.00 0.00 H new ATOM 252 N VAL A 18 -3.840 5.910 -10.251 1.00 0.00 N ATOM 253 CA VAL A 18 -4.111 5.489 -8.870 1.00 0.00 C ATOM 254 C VAL A 18 -3.823 6.634 -7.909 1.00 0.00 C ATOM 255 O VAL A 18 -2.744 7.228 -7.937 1.00 0.00 O ATOM 256 CB VAL A 18 -3.229 4.291 -8.509 1.00 0.00 C ATOM 257 CG1 VAL A 18 -3.593 3.786 -7.112 1.00 0.00 C ATOM 258 CG2 VAL A 18 -3.436 3.173 -9.537 1.00 0.00 C ATOM 0 H VAL A 18 -2.849 5.962 -10.488 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.161 5.206 -8.789 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.183 4.596 -8.517 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.963 2.933 -6.858 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.436 4.583 -6.385 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.640 3.482 -7.096 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.808 2.321 -9.279 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.482 2.866 -9.535 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.166 3.536 -10.529 1.00 0.00 H new ATOM 268 N ARG A 19 -4.804 6.944 -7.059 1.00 0.00 N ATOM 269 CA ARG A 19 -4.673 8.026 -6.081 1.00 0.00 C ATOM 270 C ARG A 19 -5.258 7.601 -4.744 1.00 0.00 C ATOM 271 O ARG A 19 -6.146 6.749 -4.685 1.00 0.00 O ATOM 272 CB ARG A 19 -5.405 9.266 -6.586 1.00 0.00 C ATOM 273 CG ARG A 19 -4.753 9.732 -7.886 1.00 0.00 C ATOM 274 CD ARG A 19 -5.450 10.994 -8.378 1.00 0.00 C ATOM 275 NE ARG A 19 -6.840 10.701 -8.712 1.00 0.00 N ATOM 276 CZ ARG A 19 -7.158 10.000 -9.796 1.00 0.00 C ATOM 277 NH1 ARG A 19 -8.410 9.737 -10.059 1.00 0.00 N ATOM 278 NH2 ARG A 19 -6.220 9.576 -10.599 1.00 0.00 N ATOM 0 H ARG A 19 -5.701 6.459 -7.028 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.615 8.254 -5.949 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.458 9.040 -6.753 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.364 10.058 -5.839 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.693 9.928 -7.724 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.820 8.948 -8.641 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.407 11.766 -7.609 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.933 11.387 -9.253 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.583 11.041 -8.101 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.143 10.069 -9.433 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.654 9.199 -10.891 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.242 9.782 -10.395 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.465 9.038 -11.430 1.00 0.00 H new ATOM 292 N LEU A 20 -4.751 8.200 -3.668 1.00 0.00 N ATOM 293 CA LEU A 20 -5.222 7.884 -2.317 1.00 0.00 C ATOM 294 C LEU A 20 -6.235 8.928 -1.858 1.00 0.00 C ATOM 295 O LEU A 20 -5.864 10.010 -1.400 1.00 0.00 O ATOM 296 CB LEU A 20 -4.027 7.866 -1.349 1.00 0.00 C ATOM 297 CG LEU A 20 -2.854 7.097 -1.971 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.702 7.033 -0.962 1.00 0.00 C ATOM 299 CD2 LEU A 20 -3.295 5.674 -2.357 1.00 0.00 C ATOM 0 H LEU A 20 -4.015 8.906 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.701 6.905 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.721 8.886 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.319 7.400 -0.408 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.522 7.613 -2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.866 6.487 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.383 8.044 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.037 6.522 -0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.453 5.139 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.636 5.145 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.108 5.729 -3.080 1.00 0.00 H new ATOM 311 N ARG A 21 -7.518 8.594 -1.979 1.00 0.00 N ATOM 312 CA ARG A 21 -8.592 9.500 -1.568 1.00 0.00 C ATOM 313 C ARG A 21 -9.005 9.208 -0.135 1.00 0.00 C ATOM 314 O ARG A 21 -9.039 8.053 0.288 1.00 0.00 O ATOM 315 CB ARG A 21 -9.800 9.326 -2.492 1.00 0.00 C ATOM 316 CG ARG A 21 -9.433 9.795 -3.898 1.00 0.00 C ATOM 317 CD ARG A 21 -10.640 9.643 -4.821 1.00 0.00 C ATOM 318 NE ARG A 21 -10.305 10.119 -6.163 1.00 0.00 N ATOM 319 CZ ARG A 21 -10.372 11.411 -6.478 1.00 0.00 C ATOM 320 NH1 ARG A 21 -10.081 11.803 -7.688 1.00 0.00 N ATOM 321 NH2 ARG A 21 -10.723 12.285 -5.575 1.00 0.00 N ATOM 0 H ARG A 21 -7.841 7.704 -2.358 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.229 10.526 -1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.108 8.281 -2.514 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.646 9.900 -2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.111 10.836 -3.872 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.595 9.212 -4.280 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.947 8.598 -4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.484 10.208 -4.426 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.014 9.447 -6.873 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.802 11.120 -8.392 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.132 12.793 -7.930 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.946 11.978 -4.628 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.774 13.275 -5.816 1.00 0.00 H new ATOM 335 N PHE A 22 -9.330 10.266 0.606 1.00 0.00 N ATOM 336 CA PHE A 22 -9.759 10.131 2.000 1.00 0.00 C ATOM 337 C PHE A 22 -11.276 10.271 2.084 1.00 0.00 C ATOM 338 O PHE A 22 -11.835 11.305 1.721 1.00 0.00 O ATOM 339 CB PHE A 22 -9.083 11.210 2.856 1.00 0.00 C ATOM 340 CG PHE A 22 -9.561 11.092 4.291 1.00 0.00 C ATOM 341 CD1 PHE A 22 -9.143 10.009 5.072 1.00 0.00 C ATOM 342 CD2 PHE A 22 -10.424 12.056 4.840 1.00 0.00 C ATOM 343 CE1 PHE A 22 -9.584 9.885 6.393 1.00 0.00 C ATOM 344 CE2 PHE A 22 -10.862 11.932 6.163 1.00 0.00 C ATOM 345 CZ PHE A 22 -10.442 10.846 6.939 1.00 0.00 C ATOM 0 H PHE A 22 -9.305 11.227 0.266 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.470 9.149 2.375 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.000 11.098 2.812 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.317 12.200 2.464 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.478 9.267 4.654 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -10.749 12.893 4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -9.262 9.046 6.993 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -11.524 12.674 6.585 1.00 0.00 H new ATOM 0 HZ PHE A 22 -10.780 10.749 7.960 1.00 0.00 H new ATOM 355 N ASP A 23 -11.939 9.216 2.563 1.00 0.00 N ATOM 356 CA ASP A 23 -13.398 9.218 2.691 1.00 0.00 C ATOM 357 C ASP A 23 -13.806 9.800 4.042 1.00 0.00 C ATOM 358 O ASP A 23 -13.660 9.155 5.080 1.00 0.00 O ATOM 359 CB ASP A 23 -13.920 7.782 2.567 1.00 0.00 C ATOM 360 CG ASP A 23 -13.708 7.265 1.145 1.00 0.00 C ATOM 361 OD1 ASP A 23 -13.353 8.061 0.288 1.00 0.00 O ATOM 362 OD2 ASP A 23 -13.901 6.080 0.933 1.00 0.00 O ATOM 0 H ASP A 23 -11.491 8.352 2.868 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.827 9.833 1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.403 7.137 3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.980 7.749 2.819 1.00 0.00 H new ATOM 367 N GLU A 24 -14.317 11.026 4.015 1.00 0.00 N ATOM 368 CA GLU A 24 -14.743 11.700 5.236 1.00 0.00 C ATOM 369 C GLU A 24 -15.921 10.970 5.874 1.00 0.00 C ATOM 370 O GLU A 24 -16.024 10.890 7.098 1.00 0.00 O ATOM 371 CB GLU A 24 -15.138 13.144 4.918 1.00 0.00 C ATOM 372 CG GLU A 24 -15.431 13.898 6.220 1.00 0.00 C ATOM 373 CD GLU A 24 -15.731 15.366 5.924 1.00 0.00 C ATOM 374 OE1 GLU A 24 -15.945 15.689 4.767 1.00 0.00 O ATOM 375 OE2 GLU A 24 -15.744 16.146 6.863 1.00 0.00 O ATOM 0 H GLU A 24 -14.446 11.572 3.163 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.912 11.697 5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.335 13.639 4.373 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -16.017 13.157 4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.279 13.442 6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.577 13.822 6.893 1.00 0.00 H new ATOM 382 N VAL A 25 -16.814 10.455 5.035 1.00 0.00 N ATOM 383 CA VAL A 25 -17.992 9.749 5.528 1.00 0.00 C ATOM 384 C VAL A 25 -17.583 8.500 6.311 1.00 0.00 C ATOM 385 O VAL A 25 -18.137 8.217 7.373 1.00 0.00 O ATOM 386 CB VAL A 25 -18.914 9.366 4.344 1.00 0.00 C ATOM 387 CG1 VAL A 25 -19.723 10.589 3.886 1.00 0.00 C ATOM 388 CG2 VAL A 25 -18.072 8.860 3.162 1.00 0.00 C ATOM 0 H VAL A 25 -16.746 10.512 4.019 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.538 10.410 6.201 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.592 8.580 4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -20.368 10.308 3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -20.335 10.951 4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -19.041 11.377 3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -18.730 8.593 2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.386 9.644 2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.502 7.983 3.470 1.00 0.00 H new ATOM 398 N ARG A 26 -16.614 7.757 5.784 1.00 0.00 N ATOM 399 CA ARG A 26 -16.133 6.539 6.442 1.00 0.00 C ATOM 400 C ARG A 26 -14.970 6.858 7.378 1.00 0.00 C ATOM 401 O ARG A 26 -14.555 6.016 8.174 1.00 0.00 O ATOM 402 CB ARG A 26 -15.693 5.529 5.377 1.00 0.00 C ATOM 403 CG ARG A 26 -16.922 5.005 4.627 1.00 0.00 C ATOM 404 CD ARG A 26 -16.478 4.035 3.535 1.00 0.00 C ATOM 405 NE ARG A 26 -17.637 3.539 2.797 1.00 0.00 N ATOM 406 CZ ARG A 26 -18.363 2.517 3.248 1.00 0.00 C ATOM 407 NH1 ARG A 26 -19.387 2.092 2.562 1.00 0.00 N ATOM 408 NH2 ARG A 26 -18.050 1.945 4.379 1.00 0.00 N ATOM 0 H ARG A 26 -16.145 7.974 4.905 1.00 0.00 H new ATOM 0 HA ARG A 26 -16.941 6.112 7.037 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -15.002 6.000 4.678 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.159 4.701 5.845 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -17.598 4.504 5.320 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -17.474 5.836 4.188 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -15.790 4.535 2.853 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.936 3.200 3.979 1.00 0.00 H new ATOM 0 HE ARG A 26 -17.896 3.985 1.917 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -19.632 2.542 1.680 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.943 1.310 2.907 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.251 2.281 4.916 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.605 1.162 4.725 1.00 0.00 H new ATOM 422 N ASN A 27 -14.452 8.079 7.275 1.00 0.00 N ATOM 423 CA ASN A 27 -13.341 8.503 8.119 1.00 0.00 C ATOM 424 C ASN A 27 -12.157 7.554 7.964 1.00 0.00 C ATOM 425 O ASN A 27 -11.450 7.264 8.928 1.00 0.00 O ATOM 426 CB ASN A 27 -13.787 8.533 9.585 1.00 0.00 C ATOM 427 CG ASN A 27 -12.719 9.185 10.456 1.00 0.00 C ATOM 428 OD1 ASN A 27 -11.611 9.451 9.992 1.00 0.00 O ATOM 429 ND2 ASN A 27 -12.991 9.451 11.704 1.00 0.00 N ATOM 0 H ASN A 27 -14.782 8.788 6.620 1.00 0.00 H new ATOM 0 HA ASN A 27 -13.032 9.502 7.810 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -14.724 9.083 9.675 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.979 7.518 9.933 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.284 9.881 12.300 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -13.911 9.229 12.084 1.00 0.00 H new ATOM 436 N LYS A 28 -11.944 7.074 6.735 1.00 0.00 N ATOM 437 CA LYS A 28 -10.838 6.156 6.447 1.00 0.00 C ATOM 438 C LYS A 28 -10.286 6.438 5.046 1.00 0.00 C ATOM 439 O LYS A 28 -10.923 7.129 4.250 1.00 0.00 O ATOM 440 CB LYS A 28 -11.325 4.687 6.558 1.00 0.00 C ATOM 441 CG LYS A 28 -12.114 4.271 5.301 1.00 0.00 C ATOM 442 CD LYS A 28 -12.743 2.878 5.485 1.00 0.00 C ATOM 443 CE LYS A 28 -13.203 2.347 4.112 1.00 0.00 C ATOM 444 NZ LYS A 28 -13.652 3.485 3.254 1.00 0.00 N ATOM 0 H LYS A 28 -12.521 7.305 5.926 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.041 6.310 7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.469 4.025 6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.954 4.574 7.441 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.895 5.003 5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.451 4.264 4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.020 2.194 5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.590 2.935 6.169 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.386 1.813 3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.017 1.634 4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.205 3.119 2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.243 4.131 3.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.822 3.998 2.896 1.00 0.00 H new ATOM 458 N HIS A 29 -9.118 5.875 4.741 1.00 0.00 N ATOM 459 CA HIS A 29 -8.508 6.046 3.420 1.00 0.00 C ATOM 460 C HIS A 29 -8.915 4.892 2.515 1.00 0.00 C ATOM 461 O HIS A 29 -9.148 3.779 2.984 1.00 0.00 O ATOM 462 CB HIS A 29 -6.987 6.077 3.549 1.00 0.00 C ATOM 463 CG HIS A 29 -6.572 7.300 4.313 1.00 0.00 C ATOM 464 ND1 HIS A 29 -6.696 7.389 5.689 1.00 0.00 N ATOM 465 CD2 HIS A 29 -6.040 8.495 3.905 1.00 0.00 C ATOM 466 CE1 HIS A 29 -6.247 8.602 6.058 1.00 0.00 C ATOM 467 NE2 HIS A 29 -5.835 9.317 5.008 1.00 0.00 N ATOM 0 H HIS A 29 -8.576 5.299 5.386 1.00 0.00 H new ATOM 0 HA HIS A 29 -8.852 6.986 2.989 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.637 5.180 4.060 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.528 6.080 2.560 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.814 8.759 2.882 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -6.223 8.955 7.079 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -5.452 10.262 5.014 1.00 0.00 H new ATOM 475 N VAL A 30 -8.997 5.161 1.212 1.00 0.00 N ATOM 476 CA VAL A 30 -9.375 4.135 0.237 1.00 0.00 C ATOM 477 C VAL A 30 -8.541 4.288 -1.020 1.00 0.00 C ATOM 478 O VAL A 30 -8.091 5.387 -1.343 1.00 0.00 O ATOM 479 CB VAL A 30 -10.859 4.269 -0.110 1.00 0.00 C ATOM 480 CG1 VAL A 30 -11.698 4.044 1.153 1.00 0.00 C ATOM 481 CG2 VAL A 30 -11.140 5.671 -0.668 1.00 0.00 C ATOM 0 H VAL A 30 -8.808 6.078 0.807 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.196 3.151 0.669 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.121 3.525 -0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.756 4.139 0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.504 3.046 1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.431 4.787 1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.198 5.760 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.877 6.420 0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.545 5.831 -1.567 1.00 0.00 H new ATOM 491 N LEU A 31 -8.341 3.181 -1.736 1.00 0.00 N ATOM 492 CA LEU A 31 -7.560 3.203 -2.975 1.00 0.00 C ATOM 493 C LEU A 31 -8.495 3.216 -4.171 1.00 0.00 C ATOM 494 O LEU A 31 -9.253 2.270 -4.389 1.00 0.00 O ATOM 495 CB LEU A 31 -6.655 1.963 -3.049 1.00 0.00 C ATOM 496 CG LEU A 31 -5.689 2.058 -4.251 1.00 0.00 C ATOM 497 CD1 LEU A 31 -4.708 3.243 -4.080 1.00 0.00 C ATOM 498 CD2 LEU A 31 -4.906 0.741 -4.359 1.00 0.00 C ATOM 0 H LEU A 31 -8.706 2.263 -1.482 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.942 4.101 -2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.084 1.868 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.267 1.066 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.265 2.228 -5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.039 3.288 -4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.271 4.174 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.123 3.103 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.220 0.794 -5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.340 0.578 -3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.602 -0.085 -4.508 1.00 0.00 H new ATOM 510 N LEU A 32 -8.426 4.283 -4.959 1.00 0.00 N ATOM 511 CA LEU A 32 -9.264 4.390 -6.147 1.00 0.00 C ATOM 512 C LEU A 32 -8.662 3.559 -7.266 1.00 0.00 C ATOM 513 O LEU A 32 -7.748 4.012 -7.956 1.00 0.00 O ATOM 514 CB LEU A 32 -9.355 5.857 -6.597 1.00 0.00 C ATOM 515 CG LEU A 32 -10.225 5.995 -7.868 1.00 0.00 C ATOM 516 CD1 LEU A 32 -11.654 5.458 -7.623 1.00 0.00 C ATOM 517 CD2 LEU A 32 -10.285 7.477 -8.268 1.00 0.00 C ATOM 0 H LEU A 32 -7.806 5.077 -4.800 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.264 4.024 -5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.779 6.461 -5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.355 6.243 -6.793 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.779 5.407 -8.670 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.245 5.567 -8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.604 4.405 -7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.122 6.023 -6.817 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.896 7.588 -9.164 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.724 8.056 -7.455 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.277 7.841 -8.469 1.00 0.00 H new ATOM 529 N ALA A 33 -9.170 2.341 -7.455 1.00 0.00 N ATOM 530 CA ALA A 33 -8.657 1.465 -8.513 1.00 0.00 C ATOM 531 C ALA A 33 -9.497 1.627 -9.797 1.00 0.00 C ATOM 532 O ALA A 33 -10.701 1.877 -9.718 1.00 0.00 O ATOM 533 CB ALA A 33 -8.699 -0.002 -8.053 1.00 0.00 C ATOM 0 H ALA A 33 -9.926 1.941 -6.899 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.625 1.746 -8.724 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.316 -0.643 -8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.084 -0.121 -7.161 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.727 -0.282 -7.825 1.00 0.00 H new ATOM 539 N PRO A 34 -8.904 1.476 -10.970 1.00 0.00 N ATOM 540 CA PRO A 34 -9.651 1.592 -12.262 1.00 0.00 C ATOM 541 C PRO A 34 -10.993 0.853 -12.223 1.00 0.00 C ATOM 542 O PRO A 34 -11.965 1.280 -12.847 1.00 0.00 O ATOM 543 CB PRO A 34 -8.703 0.946 -13.301 1.00 0.00 C ATOM 544 CG PRO A 34 -7.318 1.066 -12.725 1.00 0.00 C ATOM 545 CD PRO A 34 -7.470 1.201 -11.193 1.00 0.00 C ATOM 0 HA PRO A 34 -9.901 2.628 -12.492 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.965 -0.098 -13.473 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.772 1.455 -14.262 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.720 0.190 -12.977 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.803 1.933 -13.138 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.160 0.288 -10.684 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.849 2.008 -10.805 1.00 0.00 H new ATOM 553 N GLU A 35 -11.031 -0.272 -11.511 1.00 0.00 N ATOM 554 CA GLU A 35 -12.254 -1.070 -11.428 1.00 0.00 C ATOM 555 C GLU A 35 -13.266 -0.427 -10.483 1.00 0.00 C ATOM 556 O GLU A 35 -14.418 -0.212 -10.859 1.00 0.00 O ATOM 557 CB GLU A 35 -11.909 -2.477 -10.926 1.00 0.00 C ATOM 558 CG GLU A 35 -13.150 -3.372 -10.994 1.00 0.00 C ATOM 559 CD GLU A 35 -12.781 -4.801 -10.609 1.00 0.00 C ATOM 560 OE1 GLU A 35 -12.083 -4.968 -9.623 1.00 0.00 O ATOM 561 OE2 GLU A 35 -13.204 -5.708 -11.307 1.00 0.00 O ATOM 0 H GLU A 35 -10.240 -0.649 -10.989 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.699 -1.125 -12.422 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.109 -2.903 -11.531 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.541 -2.427 -9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.920 -2.992 -10.322 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.568 -3.354 -12.001 1.00 0.00 H new ATOM 568 N ARG A 36 -12.824 -0.114 -9.266 1.00 0.00 N ATOM 569 CA ARG A 36 -13.696 0.510 -8.271 1.00 0.00 C ATOM 570 C ARG A 36 -12.916 0.840 -7.003 1.00 0.00 C ATOM 571 O ARG A 36 -11.814 0.341 -6.796 1.00 0.00 O ATOM 572 CB ARG A 36 -14.857 -0.429 -7.915 1.00 0.00 C ATOM 573 CG ARG A 36 -14.319 -1.736 -7.323 1.00 0.00 C ATOM 574 CD ARG A 36 -15.489 -2.684 -7.065 1.00 0.00 C ATOM 575 NE ARG A 36 -15.019 -3.903 -6.416 1.00 0.00 N ATOM 576 CZ ARG A 36 -15.800 -4.975 -6.320 1.00 0.00 C ATOM 577 NH1 ARG A 36 -15.365 -6.047 -5.715 1.00 0.00 N ATOM 578 NH2 ARG A 36 -16.999 -4.957 -6.834 1.00 0.00 N ATOM 0 H ARG A 36 -11.870 -0.281 -8.945 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.090 1.431 -8.701 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -15.521 0.057 -7.200 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -15.449 -0.641 -8.805 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.607 -2.195 -8.009 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.784 -1.537 -6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.232 -2.193 -6.437 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.980 -2.931 -8.006 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.076 -3.934 -6.029 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.426 -6.062 -5.316 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.964 -6.869 -5.641 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -17.337 -4.121 -7.310 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.598 -5.779 -6.760 1.00 0.00 H new ATOM 592 N THR A 37 -13.505 1.664 -6.142 1.00 0.00 N ATOM 593 CA THR A 37 -12.861 2.030 -4.882 1.00 0.00 C ATOM 594 C THR A 37 -12.986 0.892 -3.870 1.00 0.00 C ATOM 595 O THR A 37 -14.085 0.398 -3.612 1.00 0.00 O ATOM 596 CB THR A 37 -13.515 3.292 -4.312 1.00 0.00 C ATOM 597 OG1 THR A 37 -13.449 4.332 -5.277 1.00 0.00 O ATOM 598 CG2 THR A 37 -12.785 3.726 -3.038 1.00 0.00 C ATOM 0 H THR A 37 -14.420 2.089 -6.290 1.00 0.00 H new ATOM 0 HA THR A 37 -11.805 2.220 -5.074 1.00 0.00 H new ATOM 0 HB THR A 37 -14.557 3.082 -4.071 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.868 5.141 -4.916 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.255 4.624 -2.637 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.839 2.928 -2.298 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.741 3.936 -3.270 1.00 0.00 H new ATOM 606 N PHE A 38 -11.853 0.485 -3.293 1.00 0.00 N ATOM 607 CA PHE A 38 -11.828 -0.596 -2.296 1.00 0.00 C ATOM 608 C PHE A 38 -11.652 -0.014 -0.897 1.00 0.00 C ATOM 609 O PHE A 38 -10.865 0.907 -0.688 1.00 0.00 O ATOM 610 CB PHE A 38 -10.669 -1.557 -2.611 1.00 0.00 C ATOM 611 CG PHE A 38 -11.032 -2.416 -3.806 1.00 0.00 C ATOM 612 CD1 PHE A 38 -10.816 -1.936 -5.103 1.00 0.00 C ATOM 613 CD2 PHE A 38 -11.593 -3.688 -3.617 1.00 0.00 C ATOM 614 CE1 PHE A 38 -11.160 -2.722 -6.207 1.00 0.00 C ATOM 615 CE2 PHE A 38 -11.934 -4.474 -4.721 1.00 0.00 C ATOM 616 CZ PHE A 38 -11.719 -3.992 -6.017 1.00 0.00 C ATOM 0 H PHE A 38 -10.938 0.886 -3.497 1.00 0.00 H new ATOM 0 HA PHE A 38 -12.771 -1.141 -2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -9.761 -0.992 -2.819 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -10.461 -2.188 -1.747 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.383 -0.958 -5.251 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.761 -4.060 -2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.995 -2.349 -7.207 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -12.364 -5.454 -4.574 1.00 0.00 H new ATOM 0 HZ PHE A 38 -11.984 -4.599 -6.870 1.00 0.00 H new ATOM 626 N ASP A 39 -12.397 -0.567 0.057 1.00 0.00 N ATOM 627 CA ASP A 39 -12.327 -0.107 1.438 1.00 0.00 C ATOM 628 C ASP A 39 -11.035 -0.583 2.095 1.00 0.00 C ATOM 629 O ASP A 39 -10.784 -1.783 2.198 1.00 0.00 O ATOM 630 CB ASP A 39 -13.532 -0.636 2.225 1.00 0.00 C ATOM 631 CG ASP A 39 -14.820 0.019 1.726 1.00 0.00 C ATOM 632 OD1 ASP A 39 -14.726 1.020 1.036 1.00 0.00 O ATOM 633 OD2 ASP A 39 -15.881 -0.494 2.043 1.00 0.00 O ATOM 0 H ASP A 39 -13.053 -1.331 -0.102 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.342 0.983 1.442 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -13.600 -1.718 2.115 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -13.400 -0.431 3.287 1.00 0.00 H new ATOM 638 N LEU A 40 -10.216 0.370 2.543 1.00 0.00 N ATOM 639 CA LEU A 40 -8.942 0.056 3.199 1.00 0.00 C ATOM 640 C LEU A 40 -8.773 0.918 4.441 1.00 0.00 C ATOM 641 O LEU A 40 -9.390 1.974 4.566 1.00 0.00 O ATOM 642 CB LEU A 40 -7.782 0.305 2.230 1.00 0.00 C ATOM 643 CG LEU A 40 -7.854 -0.680 1.042 1.00 0.00 C ATOM 644 CD1 LEU A 40 -6.818 -0.269 -0.014 1.00 0.00 C ATOM 645 CD2 LEU A 40 -7.579 -2.135 1.501 1.00 0.00 C ATOM 0 H LEU A 40 -10.411 1.368 2.464 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.942 -0.994 3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.819 1.331 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.832 0.187 2.751 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.858 -0.643 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.863 -0.960 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.034 0.741 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.821 -0.296 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.637 -2.804 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.584 -2.195 1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.323 -2.430 2.241 1.00 0.00 H new ATOM 657 N ASP A 41 -7.940 0.452 5.367 1.00 0.00 N ATOM 658 CA ASP A 41 -7.697 1.180 6.610 1.00 0.00 C ATOM 659 C ASP A 41 -6.611 2.224 6.397 1.00 0.00 C ATOM 660 O ASP A 41 -5.844 2.152 5.436 1.00 0.00 O ATOM 661 CB ASP A 41 -7.256 0.201 7.704 1.00 0.00 C ATOM 662 CG ASP A 41 -8.228 -0.973 7.776 1.00 0.00 C ATOM 663 OD1 ASP A 41 -9.378 -0.789 7.409 1.00 0.00 O ATOM 664 OD2 ASP A 41 -7.809 -2.038 8.198 1.00 0.00 O ATOM 0 H ASP A 41 -7.423 -0.423 5.282 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.618 1.677 6.916 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.250 -0.162 7.495 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.217 0.711 8.666 1.00 0.00 H new ATOM 669 N ASP A 42 -6.553 3.191 7.300 1.00 0.00 N ATOM 670 CA ASP A 42 -5.556 4.246 7.206 1.00 0.00 C ATOM 671 C ASP A 42 -4.152 3.657 7.281 1.00 0.00 C ATOM 672 O ASP A 42 -3.249 4.094 6.573 1.00 0.00 O ATOM 673 CB ASP A 42 -5.762 5.250 8.348 1.00 0.00 C ATOM 674 CG ASP A 42 -7.014 6.086 8.095 1.00 0.00 C ATOM 675 OD1 ASP A 42 -7.759 5.739 7.196 1.00 0.00 O ATOM 676 OD2 ASP A 42 -7.205 7.061 8.803 1.00 0.00 O ATOM 0 H ASP A 42 -7.180 3.267 8.101 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.669 4.756 6.249 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.855 4.720 9.296 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.892 5.901 8.431 1.00 0.00 H new ATOM 681 N ASN A 43 -3.978 2.670 8.149 1.00 0.00 N ATOM 682 CA ASN A 43 -2.680 2.038 8.317 1.00 0.00 C ATOM 683 C ASN A 43 -2.247 1.353 7.027 1.00 0.00 C ATOM 684 O ASN A 43 -1.070 1.345 6.688 1.00 0.00 O ATOM 685 CB ASN A 43 -2.740 1.009 9.445 1.00 0.00 C ATOM 686 CG ASN A 43 -3.221 1.673 10.728 1.00 0.00 C ATOM 687 OD1 ASN A 43 -3.085 2.962 10.877 1.00 0.00 O flip ATOM 688 ND2 ASN A 43 -3.738 0.999 11.619 1.00 0.00 N flip ATOM 0 H ASN A 43 -4.716 2.292 8.744 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.953 2.810 8.568 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.413 0.196 9.172 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.755 0.569 9.600 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.843 -0.009 11.500 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.061 1.448 12.476 1.00 0.00 H new ATOM 695 N ALA A 44 -3.205 0.768 6.317 1.00 0.00 N ATOM 696 CA ALA A 44 -2.901 0.072 5.071 1.00 0.00 C ATOM 697 C ALA A 44 -2.481 1.054 3.981 1.00 0.00 C ATOM 698 O ALA A 44 -1.525 0.806 3.248 1.00 0.00 O ATOM 699 CB ALA A 44 -4.134 -0.700 4.605 1.00 0.00 C ATOM 0 H ALA A 44 -4.191 0.761 6.579 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.075 -0.615 5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.907 -1.220 3.674 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.418 -1.426 5.367 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.958 -0.005 4.441 1.00 0.00 H new ATOM 705 N VAL A 45 -3.198 2.170 3.874 1.00 0.00 N ATOM 706 CA VAL A 45 -2.885 3.178 2.862 1.00 0.00 C ATOM 707 C VAL A 45 -1.704 4.032 3.306 1.00 0.00 C ATOM 708 O VAL A 45 -0.924 4.505 2.480 1.00 0.00 O ATOM 709 CB VAL A 45 -4.102 4.073 2.614 1.00 0.00 C ATOM 710 CG1 VAL A 45 -3.775 5.100 1.521 1.00 0.00 C ATOM 711 CG2 VAL A 45 -5.277 3.203 2.169 1.00 0.00 C ATOM 0 H VAL A 45 -3.994 2.399 4.470 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.622 2.665 1.937 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.363 4.602 3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.643 5.735 1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.933 5.715 1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.516 4.580 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.149 3.833 1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.014 2.678 1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.508 2.477 2.948 1.00 0.00 H new ATOM 721 N ALA A 46 -1.582 4.230 4.613 1.00 0.00 N ATOM 722 CA ALA A 46 -0.495 5.039 5.151 1.00 0.00 C ATOM 723 C ALA A 46 0.854 4.527 4.648 1.00 0.00 C ATOM 724 O ALA A 46 1.769 5.310 4.396 1.00 0.00 O ATOM 725 CB ALA A 46 -0.523 5.004 6.684 1.00 0.00 C ATOM 0 H ALA A 46 -2.215 3.846 5.314 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.629 6.066 4.812 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.293 5.611 7.077 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.474 5.400 7.040 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.407 3.976 7.027 1.00 0.00 H new ATOM 731 N VAL A 47 0.970 3.212 4.505 1.00 0.00 N ATOM 732 CA VAL A 47 2.212 2.610 4.032 1.00 0.00 C ATOM 733 C VAL A 47 2.555 3.099 2.626 1.00 0.00 C ATOM 734 O VAL A 47 3.694 3.477 2.351 1.00 0.00 O ATOM 735 CB VAL A 47 2.064 1.076 4.028 1.00 0.00 C ATOM 736 CG1 VAL A 47 3.334 0.417 3.460 1.00 0.00 C ATOM 737 CG2 VAL A 47 1.809 0.569 5.468 1.00 0.00 C ATOM 0 H VAL A 47 0.225 2.546 4.708 1.00 0.00 H new ATOM 0 HA VAL A 47 3.020 2.904 4.702 1.00 0.00 H new ATOM 0 HB VAL A 47 1.217 0.808 3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.214 -0.666 3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.497 0.761 2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.192 0.689 4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.705 -0.516 5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.648 0.848 6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.894 1.018 5.855 1.00 0.00 H new ATOM 747 N LEU A 48 1.568 3.069 1.732 1.00 0.00 N ATOM 748 CA LEU A 48 1.780 3.488 0.346 1.00 0.00 C ATOM 749 C LEU A 48 1.803 5.005 0.236 1.00 0.00 C ATOM 750 O LEU A 48 2.238 5.557 -0.775 1.00 0.00 O ATOM 751 CB LEU A 48 0.666 2.923 -0.542 1.00 0.00 C ATOM 752 CG LEU A 48 0.510 1.413 -0.296 1.00 0.00 C ATOM 753 CD1 LEU A 48 -0.633 0.877 -1.168 1.00 0.00 C ATOM 754 CD2 LEU A 48 1.821 0.671 -0.640 1.00 0.00 C ATOM 0 H LEU A 48 0.618 2.761 1.940 1.00 0.00 H new ATOM 0 HA LEU A 48 2.744 3.103 0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.273 3.433 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.898 3.107 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 48 0.283 1.244 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.749 -0.193 -0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.560 1.388 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.403 1.055 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.693 -0.396 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.068 0.835 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.629 1.050 -0.014 1.00 0.00 H new ATOM 766 N LYS A 49 1.341 5.679 1.281 1.00 0.00 N ATOM 767 CA LYS A 49 1.326 7.141 1.299 1.00 0.00 C ATOM 768 C LYS A 49 2.613 7.680 1.910 1.00 0.00 C ATOM 769 O LYS A 49 3.064 8.773 1.570 1.00 0.00 O ATOM 770 CB LYS A 49 0.132 7.628 2.118 1.00 0.00 C ATOM 771 CG LYS A 49 -0.038 9.142 1.939 1.00 0.00 C ATOM 772 CD LYS A 49 -1.267 9.644 2.722 1.00 0.00 C ATOM 773 CE LYS A 49 -2.574 9.243 2.022 1.00 0.00 C ATOM 774 NZ LYS A 49 -3.704 9.989 2.643 1.00 0.00 N ATOM 0 H LYS A 49 0.972 5.242 2.125 1.00 0.00 H new ATOM 0 HA LYS A 49 1.245 7.504 0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.774 7.111 1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.281 7.392 3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.857 9.658 2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.152 9.378 0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.251 9.233 3.731 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.221 10.729 2.819 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.515 9.467 0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.736 8.169 2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.567 9.843 2.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.858 9.642 3.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.477 11.004 2.670 1.00 0.00 H new ATOM 788 N LEU A 50 3.189 6.918 2.839 1.00 0.00 N ATOM 789 CA LEU A 50 4.406 7.355 3.512 1.00 0.00 C ATOM 790 C LEU A 50 5.595 7.304 2.559 1.00 0.00 C ATOM 791 O LEU A 50 6.513 8.118 2.656 1.00 0.00 O ATOM 792 CB LEU A 50 4.683 6.441 4.726 1.00 0.00 C ATOM 793 CG LEU A 50 5.772 7.062 5.648 1.00 0.00 C ATOM 794 CD1 LEU A 50 5.135 8.043 6.648 1.00 0.00 C ATOM 795 CD2 LEU A 50 6.487 5.951 6.434 1.00 0.00 C ATOM 0 H LEU A 50 2.837 6.008 3.138 1.00 0.00 H new ATOM 0 HA LEU A 50 4.268 8.383 3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.763 6.291 5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.008 5.460 4.381 1.00 0.00 H new ATOM 0 HG LEU A 50 6.487 7.596 5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.911 8.468 7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.634 8.843 6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.409 7.514 7.265 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.248 6.393 7.077 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.762 5.414 7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.959 5.258 5.737 1.00 0.00 H new ATOM 807 N VAL A 51 5.565 6.350 1.632 1.00 0.00 N ATOM 808 CA VAL A 51 6.645 6.205 0.660 1.00 0.00 C ATOM 809 C VAL A 51 6.581 7.317 -0.384 1.00 0.00 C ATOM 810 O VAL A 51 5.557 7.511 -1.038 1.00 0.00 O ATOM 811 CB VAL A 51 6.563 4.828 -0.024 1.00 0.00 C ATOM 812 CG1 VAL A 51 5.189 4.640 -0.689 1.00 0.00 C ATOM 813 CG2 VAL A 51 7.668 4.712 -1.085 1.00 0.00 C ATOM 0 H VAL A 51 4.811 5.671 1.533 1.00 0.00 H new ATOM 0 HA VAL A 51 7.596 6.281 1.187 1.00 0.00 H new ATOM 0 HB VAL A 51 6.697 4.053 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.147 3.662 -1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.407 4.707 0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.038 5.417 -1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.608 3.737 -1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.539 5.495 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.642 4.822 -0.609 1.00 0.00 H new ATOM 823 N ASP A 52 7.684 8.042 -0.539 1.00 0.00 N ATOM 824 CA ASP A 52 7.749 9.123 -1.515 1.00 0.00 C ATOM 825 C ASP A 52 7.833 8.558 -2.934 1.00 0.00 C ATOM 826 O ASP A 52 7.196 9.070 -3.855 1.00 0.00 O ATOM 827 CB ASP A 52 8.967 10.007 -1.231 1.00 0.00 C ATOM 828 CG ASP A 52 8.774 10.765 0.082 1.00 0.00 C ATOM 829 OD1 ASP A 52 7.657 10.785 0.577 1.00 0.00 O ATOM 830 OD2 ASP A 52 9.745 11.315 0.573 1.00 0.00 O ATOM 0 H ASP A 52 8.541 7.901 -0.004 1.00 0.00 H new ATOM 0 HA ASP A 52 6.843 9.723 -1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.866 9.393 -1.176 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.112 10.713 -2.049 1.00 0.00 H new ATOM 835 N GLY A 53 8.634 7.499 -3.102 1.00 0.00 N ATOM 836 CA GLY A 53 8.815 6.860 -4.414 1.00 0.00 C ATOM 837 C GLY A 53 8.950 5.351 -4.257 1.00 0.00 C ATOM 838 O GLY A 53 7.952 4.644 -4.103 1.00 0.00 O ATOM 0 H GLY A 53 9.167 7.066 -2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.966 7.090 -5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.703 7.262 -4.902 1.00 0.00 H new ATOM 842 N ARG A 54 10.193 4.858 -4.288 1.00 0.00 N ATOM 843 CA ARG A 54 10.455 3.421 -4.124 1.00 0.00 C ATOM 844 C ARG A 54 11.236 3.174 -2.837 1.00 0.00 C ATOM 845 O ARG A 54 12.447 3.401 -2.780 1.00 0.00 O ATOM 846 CB ARG A 54 11.271 2.935 -5.327 1.00 0.00 C ATOM 847 CG ARG A 54 10.393 2.944 -6.578 1.00 0.00 C ATOM 848 CD ARG A 54 11.217 2.483 -7.778 1.00 0.00 C ATOM 849 NE ARG A 54 10.377 2.415 -8.969 1.00 0.00 N ATOM 850 CZ ARG A 54 10.905 2.237 -10.175 1.00 0.00 C ATOM 851 NH1 ARG A 54 10.131 2.168 -11.222 1.00 0.00 N ATOM 852 NH2 ARG A 54 12.199 2.131 -10.311 1.00 0.00 N ATOM 0 H ARG A 54 11.029 5.427 -4.424 1.00 0.00 H new ATOM 0 HA ARG A 54 9.512 2.878 -4.066 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.139 3.578 -5.475 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.648 1.929 -5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.535 2.287 -6.438 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.002 3.946 -6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.045 3.172 -7.947 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.653 1.505 -7.575 1.00 0.00 H new ATOM 0 HE ARG A 54 9.366 2.506 -8.874 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.120 2.251 -11.115 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.537 2.031 -12.148 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.804 2.185 -9.492 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.605 1.994 -11.237 1.00 0.00 H new ATOM 866 N ASN A 55 10.538 2.670 -1.816 1.00 0.00 N ATOM 867 CA ASN A 55 11.153 2.340 -0.522 1.00 0.00 C ATOM 868 C ASN A 55 11.029 0.846 -0.252 1.00 0.00 C ATOM 869 O ASN A 55 10.033 0.222 -0.617 1.00 0.00 O ATOM 870 CB ASN A 55 10.490 3.143 0.604 1.00 0.00 C ATOM 871 CG ASN A 55 10.906 4.609 0.517 1.00 0.00 C ATOM 872 OD1 ASN A 55 11.871 4.942 -0.170 1.00 0.00 O ATOM 873 ND2 ASN A 55 10.230 5.510 1.175 1.00 0.00 N ATOM 0 H ASN A 55 9.537 2.479 -1.859 1.00 0.00 H new ATOM 0 HA ASN A 55 12.210 2.604 -0.557 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.406 3.060 0.531 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.777 2.732 1.572 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.501 6.492 1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.430 5.233 1.744 1.00 0.00 H new ATOM 880 N THR A 56 12.032 0.282 0.411 1.00 0.00 N ATOM 881 CA THR A 56 12.012 -1.135 0.750 1.00 0.00 C ATOM 882 C THR A 56 11.137 -1.353 1.978 1.00 0.00 C ATOM 883 O THR A 56 11.138 -0.542 2.905 1.00 0.00 O ATOM 884 CB THR A 56 13.432 -1.625 1.033 1.00 0.00 C ATOM 885 OG1 THR A 56 13.912 -1.018 2.226 1.00 0.00 O ATOM 886 CG2 THR A 56 14.345 -1.246 -0.135 1.00 0.00 C ATOM 0 H THR A 56 12.865 0.781 0.723 1.00 0.00 H new ATOM 0 HA THR A 56 11.604 -1.698 -0.089 1.00 0.00 H new ATOM 0 HB THR A 56 13.426 -2.708 1.152 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.822 -1.332 2.410 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.358 -1.595 0.067 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.977 -1.710 -1.050 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.352 -0.163 -0.255 1.00 0.00 H new ATOM 894 N VAL A 57 10.385 -2.446 1.977 1.00 0.00 N ATOM 895 CA VAL A 57 9.503 -2.756 3.093 1.00 0.00 C ATOM 896 C VAL A 57 10.283 -2.761 4.401 1.00 0.00 C ATOM 897 O VAL A 57 9.797 -2.289 5.429 1.00 0.00 O ATOM 898 CB VAL A 57 8.843 -4.120 2.869 1.00 0.00 C ATOM 899 CG1 VAL A 57 8.060 -4.092 1.553 1.00 0.00 C ATOM 900 CG2 VAL A 57 9.917 -5.213 2.805 1.00 0.00 C ATOM 0 H VAL A 57 10.368 -3.129 1.220 1.00 0.00 H new ATOM 0 HA VAL A 57 8.730 -1.990 3.154 1.00 0.00 H new ATOM 0 HB VAL A 57 8.165 -4.335 3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.588 -5.061 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.293 -3.319 1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.740 -3.876 0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.442 -6.181 2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.600 -5.004 1.982 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.473 -5.232 3.742 1.00 0.00 H new ATOM 910 N SER A 58 11.498 -3.294 4.355 1.00 0.00 N ATOM 911 CA SER A 58 12.337 -3.345 5.542 1.00 0.00 C ATOM 912 C SER A 58 12.579 -1.942 6.091 1.00 0.00 C ATOM 913 O SER A 58 12.525 -1.722 7.300 1.00 0.00 O ATOM 914 CB SER A 58 13.673 -4.006 5.209 1.00 0.00 C ATOM 915 OG SER A 58 13.439 -5.341 4.779 1.00 0.00 O ATOM 0 H SER A 58 11.920 -3.693 3.516 1.00 0.00 H new ATOM 0 HA SER A 58 11.823 -3.933 6.302 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.186 -3.444 4.428 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.323 -4.002 6.084 1.00 0.00 H new ATOM 0 HG SER A 58 14.293 -5.769 4.562 1.00 0.00 H new ATOM 921 N GLN A 59 12.852 -0.998 5.195 1.00 0.00 N ATOM 922 CA GLN A 59 13.108 0.381 5.603 1.00 0.00 C ATOM 923 C GLN A 59 11.863 1.003 6.227 1.00 0.00 C ATOM 924 O GLN A 59 11.930 1.615 7.294 1.00 0.00 O ATOM 925 CB GLN A 59 13.541 1.204 4.386 1.00 0.00 C ATOM 926 CG GLN A 59 13.985 2.601 4.832 1.00 0.00 C ATOM 927 CD GLN A 59 14.464 3.404 3.629 1.00 0.00 C ATOM 928 OE1 GLN A 59 13.814 3.408 2.583 1.00 0.00 O ATOM 929 NE2 GLN A 59 15.573 4.088 3.715 1.00 0.00 N ATOM 0 H GLN A 59 12.902 -1.160 4.189 1.00 0.00 H new ATOM 0 HA GLN A 59 13.903 0.380 6.349 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.358 0.701 3.868 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.716 1.284 3.678 1.00 0.00 H new ATOM 0 HG2 GLN A 59 13.157 3.117 5.318 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.785 2.520 5.568 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.109 4.083 4.583 1.00 0.00 H new ATOM 0 HE22 GLN A 59 15.903 4.627 2.915 1.00 0.00 H new ATOM 938 N ILE A 60 10.729 0.843 5.556 1.00 0.00 N ATOM 939 CA ILE A 60 9.471 1.391 6.053 1.00 0.00 C ATOM 940 C ILE A 60 9.131 0.788 7.407 1.00 0.00 C ATOM 941 O ILE A 60 8.691 1.486 8.312 1.00 0.00 O ATOM 942 CB ILE A 60 8.331 1.116 5.061 1.00 0.00 C ATOM 943 CG1 ILE A 60 8.706 1.671 3.676 1.00 0.00 C ATOM 944 CG2 ILE A 60 7.048 1.800 5.558 1.00 0.00 C ATOM 945 CD1 ILE A 60 7.696 1.185 2.633 1.00 0.00 C ATOM 0 H ILE A 60 10.653 0.341 4.671 1.00 0.00 H new ATOM 0 HA ILE A 60 9.589 2.469 6.162 1.00 0.00 H new ATOM 0 HB ILE A 60 8.166 0.041 4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.720 2.761 3.702 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.710 1.346 3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.237 1.607 4.856 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.781 1.405 6.538 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.214 2.875 5.633 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.965 1.580 1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.704 0.096 2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.699 1.533 2.903 1.00 0.00 H new ATOM 957 N ALA A 61 9.320 -0.518 7.533 1.00 0.00 N ATOM 958 CA ALA A 61 9.013 -1.204 8.781 1.00 0.00 C ATOM 959 C ALA A 61 9.712 -0.534 9.961 1.00 0.00 C ATOM 960 O ALA A 61 9.129 -0.382 11.035 1.00 0.00 O ATOM 961 CB ALA A 61 9.446 -2.667 8.685 1.00 0.00 C ATOM 0 H ALA A 61 9.681 -1.120 6.793 1.00 0.00 H new ATOM 0 HA ALA A 61 7.937 -1.151 8.946 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.215 -3.177 9.620 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.913 -3.151 7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.519 -2.717 8.500 1.00 0.00 H new ATOM 967 N GLN A 62 10.960 -0.137 9.755 1.00 0.00 N ATOM 968 CA GLN A 62 11.724 0.514 10.812 1.00 0.00 C ATOM 969 C GLN A 62 11.086 1.843 11.205 1.00 0.00 C ATOM 970 O GLN A 62 10.813 2.086 12.377 1.00 0.00 O ATOM 971 CB GLN A 62 13.156 0.768 10.327 1.00 0.00 C ATOM 972 CG GLN A 62 13.890 -0.562 10.122 1.00 0.00 C ATOM 973 CD GLN A 62 14.152 -1.234 11.466 1.00 0.00 C ATOM 974 OE1 GLN A 62 14.615 -0.586 12.405 1.00 0.00 O ATOM 975 NE2 GLN A 62 13.886 -2.502 11.614 1.00 0.00 N ATOM 0 H GLN A 62 11.462 -0.252 8.875 1.00 0.00 H new ATOM 0 HA GLN A 62 11.733 -0.142 11.683 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.137 1.329 9.393 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.691 1.379 11.054 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.295 -1.220 9.489 1.00 0.00 H new ATOM 0 HG3 GLN A 62 14.833 -0.389 9.604 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.502 -3.037 10.835 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.061 -2.959 12.509 1.00 0.00 H new ATOM 984 N ILE A 63 10.866 2.703 10.220 1.00 0.00 N ATOM 985 CA ILE A 63 10.280 4.012 10.480 1.00 0.00 C ATOM 986 C ILE A 63 8.844 3.869 10.970 1.00 0.00 C ATOM 987 O ILE A 63 8.440 4.504 11.943 1.00 0.00 O ATOM 988 CB ILE A 63 10.303 4.856 9.201 1.00 0.00 C ATOM 989 CG1 ILE A 63 11.742 4.931 8.664 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.796 6.272 9.514 1.00 0.00 C ATOM 991 CD1 ILE A 63 11.750 5.592 7.283 1.00 0.00 C ATOM 0 H ILE A 63 11.082 2.521 9.240 1.00 0.00 H new ATOM 0 HA ILE A 63 10.868 4.506 11.254 1.00 0.00 H new ATOM 0 HB ILE A 63 9.659 4.398 8.450 1.00 0.00 H new ATOM 0 HG12 ILE A 63 12.367 5.500 9.352 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.168 3.930 8.600 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.812 6.873 8.605 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.776 6.217 9.895 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.440 6.731 10.264 1.00 0.00 H new ATOM 0 HD11 ILE A 63 12.773 5.642 6.909 1.00 0.00 H new ATOM 0 HD12 ILE A 63 11.140 5.006 6.595 1.00 0.00 H new ATOM 0 HD13 ILE A 63 11.343 6.600 7.360 1.00 0.00 H new ATOM 1003 N LEU A 64 8.075 3.038 10.277 1.00 0.00 N ATOM 1004 CA LEU A 64 6.681 2.823 10.635 1.00 0.00 C ATOM 1005 C LEU A 64 6.590 2.080 11.962 1.00 0.00 C ATOM 1006 O LEU A 64 5.708 2.345 12.777 1.00 0.00 O ATOM 1007 CB LEU A 64 5.965 2.022 9.534 1.00 0.00 C ATOM 1008 CG LEU A 64 4.438 2.024 9.773 1.00 0.00 C ATOM 1009 CD1 LEU A 64 3.849 3.451 9.599 1.00 0.00 C ATOM 1010 CD2 LEU A 64 3.776 1.059 8.776 1.00 0.00 C ATOM 0 H LEU A 64 8.392 2.505 9.468 1.00 0.00 H new ATOM 0 HA LEU A 64 6.193 3.793 10.737 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.187 2.454 8.558 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.336 0.997 9.521 1.00 0.00 H new ATOM 0 HG LEU A 64 4.239 1.701 10.795 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.773 3.424 9.773 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.316 4.127 10.316 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.044 3.804 8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.698 1.053 8.936 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.990 1.385 7.758 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.171 0.054 8.926 1.00 0.00 H new ATOM 1022 N GLY A 65 7.505 1.138 12.165 1.00 0.00 N ATOM 1023 CA GLY A 65 7.517 0.351 13.391 1.00 0.00 C ATOM 1024 C GLY A 65 7.622 1.255 14.611 1.00 0.00 C ATOM 1025 O GLY A 65 6.963 1.025 15.625 1.00 0.00 O ATOM 0 H GLY A 65 8.243 0.903 11.501 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.608 -0.248 13.453 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.356 -0.344 13.374 1.00 0.00 H new ATOM 1029 N GLN A 66 8.448 2.288 14.505 1.00 0.00 N ATOM 1030 CA GLN A 66 8.625 3.229 15.603 1.00 0.00 C ATOM 1031 C GLN A 66 7.334 4.004 15.855 1.00 0.00 C ATOM 1032 O GLN A 66 7.039 4.379 16.988 1.00 0.00 O ATOM 1033 CB GLN A 66 9.764 4.206 15.270 1.00 0.00 C ATOM 1034 CG GLN A 66 11.108 3.474 15.324 1.00 0.00 C ATOM 1035 CD GLN A 66 12.222 4.403 14.852 1.00 0.00 C ATOM 1036 OE1 GLN A 66 12.288 5.558 15.271 1.00 0.00 O ATOM 1037 NE2 GLN A 66 13.107 3.964 14.000 1.00 0.00 N ATOM 0 H GLN A 66 9.003 2.495 13.675 1.00 0.00 H new ATOM 0 HA GLN A 66 8.878 2.672 16.505 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.611 4.632 14.279 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.763 5.035 15.977 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.309 3.138 16.341 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.073 2.584 14.695 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.050 3.006 13.654 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.856 4.579 13.680 1.00 0.00 H new ATOM 1046 N THR A 67 6.573 4.248 14.793 1.00 0.00 N ATOM 1047 CA THR A 67 5.323 4.989 14.926 1.00 0.00 C ATOM 1048 C THR A 67 4.342 4.233 15.817 1.00 0.00 C ATOM 1049 O THR A 67 3.750 4.809 16.731 1.00 0.00 O ATOM 1050 CB THR A 67 4.697 5.211 13.542 1.00 0.00 C ATOM 1051 OG1 THR A 67 5.680 5.730 12.660 1.00 0.00 O ATOM 1052 CG2 THR A 67 3.534 6.201 13.650 1.00 0.00 C ATOM 0 H THR A 67 6.795 3.949 13.844 1.00 0.00 H new ATOM 0 HA THR A 67 5.541 5.953 15.385 1.00 0.00 H new ATOM 0 HB THR A 67 4.324 4.261 13.158 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.284 5.871 11.775 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.094 6.354 12.665 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.778 5.802 14.327 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.901 7.152 14.036 1.00 0.00 H new ATOM 1060 N TYR A 68 4.176 2.936 15.548 1.00 0.00 N ATOM 1061 CA TYR A 68 3.266 2.093 16.333 1.00 0.00 C ATOM 1062 C TYR A 68 4.028 1.372 17.439 1.00 0.00 C ATOM 1063 O TYR A 68 3.434 0.660 18.249 1.00 0.00 O ATOM 1064 CB TYR A 68 2.595 1.064 15.418 1.00 0.00 C ATOM 1065 CG TYR A 68 1.690 1.774 14.430 1.00 0.00 C ATOM 1066 CD1 TYR A 68 2.200 2.227 13.207 1.00 0.00 C ATOM 1067 CD2 TYR A 68 0.340 1.986 14.743 1.00 0.00 C ATOM 1068 CE1 TYR A 68 1.360 2.886 12.300 1.00 0.00 C ATOM 1069 CE2 TYR A 68 -0.496 2.644 13.834 1.00 0.00 C ATOM 1070 CZ TYR A 68 0.014 3.095 12.613 1.00 0.00 C ATOM 1071 OH TYR A 68 -0.809 3.745 11.717 1.00 0.00 O ATOM 0 H TYR A 68 4.658 2.446 14.795 1.00 0.00 H new ATOM 0 HA TYR A 68 2.506 2.729 16.786 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.352 0.489 14.885 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.017 0.356 16.012 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.240 2.068 12.963 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.055 1.641 15.687 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.754 3.234 11.356 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.536 2.804 14.076 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.688 3.312 11.707 1.00 0.00 H new ATOM 1081 N ASP A 69 5.343 1.563 17.472 1.00 0.00 N ATOM 1082 CA ASP A 69 6.168 0.927 18.493 1.00 0.00 C ATOM 1083 C ASP A 69 5.946 -0.583 18.506 1.00 0.00 C ATOM 1084 O ASP A 69 5.484 -1.141 19.499 1.00 0.00 O ATOM 1085 CB ASP A 69 5.830 1.502 19.871 1.00 0.00 C ATOM 1086 CG ASP A 69 6.794 0.959 20.922 1.00 0.00 C ATOM 1087 OD1 ASP A 69 7.574 0.080 20.591 1.00 0.00 O ATOM 1088 OD2 ASP A 69 6.738 1.431 22.045 1.00 0.00 O ATOM 0 H ASP A 69 5.856 2.147 16.811 1.00 0.00 H new ATOM 0 HA ASP A 69 7.214 1.126 18.259 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.887 2.590 19.843 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.806 1.244 20.139 1.00 0.00 H new ATOM 1093 N ALA A 70 6.271 -1.244 17.392 1.00 0.00 N ATOM 1094 CA ALA A 70 6.096 -2.699 17.284 1.00 0.00 C ATOM 1095 C ALA A 70 7.262 -3.320 16.526 1.00 0.00 C ATOM 1096 O ALA A 70 7.991 -2.628 15.815 1.00 0.00 O ATOM 1097 CB ALA A 70 4.786 -3.015 16.565 1.00 0.00 C ATOM 0 H ALA A 70 6.654 -0.801 16.557 1.00 0.00 H new ATOM 0 HA ALA A 70 6.066 -3.121 18.289 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.664 -4.095 16.489 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.952 -2.594 17.127 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.806 -2.581 15.565 1.00 0.00 H new ATOM 1103 N ASP A 71 7.443 -4.624 16.697 1.00 0.00 N ATOM 1104 CA ASP A 71 8.543 -5.317 16.042 1.00 0.00 C ATOM 1105 C ASP A 71 8.489 -5.095 14.516 1.00 0.00 C ATOM 1106 O ASP A 71 7.552 -5.552 13.857 1.00 0.00 O ATOM 1107 CB ASP A 71 8.477 -6.815 16.347 1.00 0.00 C ATOM 1108 CG ASP A 71 8.704 -7.057 17.838 1.00 0.00 C ATOM 1109 OD1 ASP A 71 9.285 -6.196 18.478 1.00 0.00 O ATOM 1110 OD2 ASP A 71 8.295 -8.099 18.317 1.00 0.00 O ATOM 0 H ASP A 71 6.849 -5.217 17.277 1.00 0.00 H new ATOM 0 HA ASP A 71 9.481 -4.913 16.424 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.506 -7.212 16.050 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.231 -7.346 15.765 1.00 0.00 H new ATOM 1115 N PRO A 72 9.461 -4.408 13.931 1.00 0.00 N ATOM 1116 CA PRO A 72 9.479 -4.153 12.451 1.00 0.00 C ATOM 1117 C PRO A 72 9.244 -5.428 11.634 1.00 0.00 C ATOM 1118 O PRO A 72 8.604 -5.388 10.586 1.00 0.00 O ATOM 1119 CB PRO A 72 10.897 -3.592 12.198 1.00 0.00 C ATOM 1120 CG PRO A 72 11.277 -2.935 13.485 1.00 0.00 C ATOM 1121 CD PRO A 72 10.632 -3.781 14.590 1.00 0.00 C ATOM 0 HA PRO A 72 8.682 -3.476 12.145 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.597 -4.386 11.936 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.900 -2.880 11.373 1.00 0.00 H new ATOM 0 HG2 PRO A 72 12.360 -2.899 13.601 1.00 0.00 H new ATOM 0 HG3 PRO A 72 10.919 -1.906 13.520 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.324 -4.532 14.972 1.00 0.00 H new ATOM 0 HD3 PRO A 72 10.330 -3.166 15.438 1.00 0.00 H new ATOM 1129 N ALA A 73 9.778 -6.546 12.116 1.00 0.00 N ATOM 1130 CA ALA A 73 9.636 -7.824 11.418 1.00 0.00 C ATOM 1131 C ALA A 73 8.168 -8.128 11.133 1.00 0.00 C ATOM 1132 O ALA A 73 7.823 -8.659 10.078 1.00 0.00 O ATOM 1133 CB ALA A 73 10.240 -8.945 12.266 1.00 0.00 C ATOM 0 H ALA A 73 10.312 -6.596 12.984 1.00 0.00 H new ATOM 0 HA ALA A 73 10.165 -7.758 10.467 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.132 -9.895 11.743 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.297 -8.743 12.437 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.721 -8.997 13.223 1.00 0.00 H new ATOM 1139 N ILE A 74 7.305 -7.796 12.084 1.00 0.00 N ATOM 1140 CA ILE A 74 5.873 -8.024 11.925 1.00 0.00 C ATOM 1141 C ILE A 74 5.280 -7.032 10.924 1.00 0.00 C ATOM 1142 O ILE A 74 4.380 -7.372 10.158 1.00 0.00 O ATOM 1143 CB ILE A 74 5.155 -7.902 13.273 1.00 0.00 C ATOM 1144 CG1 ILE A 74 5.796 -8.880 14.270 1.00 0.00 C ATOM 1145 CG2 ILE A 74 3.669 -8.248 13.090 1.00 0.00 C ATOM 1146 CD1 ILE A 74 5.197 -8.683 15.669 1.00 0.00 C ATOM 0 H ILE A 74 7.570 -7.369 12.972 1.00 0.00 H new ATOM 0 HA ILE A 74 5.730 -9.035 11.543 1.00 0.00 H new ATOM 0 HB ILE A 74 5.243 -6.884 13.652 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.634 -9.906 13.939 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.874 -8.722 14.303 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.155 -8.162 14.047 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.220 -7.559 12.374 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.576 -9.268 12.718 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.660 -9.382 16.365 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.382 -7.662 16.003 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.123 -8.864 15.634 1.00 0.00 H new ATOM 1158 N ILE A 75 5.765 -5.791 10.970 1.00 0.00 N ATOM 1159 CA ILE A 75 5.248 -4.744 10.093 1.00 0.00 C ATOM 1160 C ILE A 75 5.453 -5.105 8.627 1.00 0.00 C ATOM 1161 O ILE A 75 4.518 -5.022 7.834 1.00 0.00 O ATOM 1162 CB ILE A 75 5.973 -3.429 10.388 1.00 0.00 C ATOM 1163 CG1 ILE A 75 5.898 -3.116 11.891 1.00 0.00 C ATOM 1164 CG2 ILE A 75 5.346 -2.288 9.578 1.00 0.00 C ATOM 1165 CD1 ILE A 75 4.442 -3.030 12.385 1.00 0.00 C ATOM 0 H ILE A 75 6.508 -5.489 11.600 1.00 0.00 H new ATOM 0 HA ILE A 75 4.179 -4.639 10.281 1.00 0.00 H new ATOM 0 HB ILE A 75 7.019 -3.528 10.100 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.426 -3.888 12.450 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.406 -2.173 12.092 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.869 -1.357 9.796 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.427 -2.510 8.514 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.295 -2.185 9.848 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.432 -2.807 13.452 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.921 -2.240 11.845 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.941 -3.982 12.208 1.00 0.00 H new ATOM 1177 N GLU A 76 6.670 -5.509 8.276 1.00 0.00 N ATOM 1178 CA GLU A 76 6.971 -5.876 6.897 1.00 0.00 C ATOM 1179 C GLU A 76 6.121 -7.070 6.465 1.00 0.00 C ATOM 1180 O GLU A 76 5.560 -7.083 5.369 1.00 0.00 O ATOM 1181 CB GLU A 76 8.465 -6.209 6.749 1.00 0.00 C ATOM 1182 CG GLU A 76 8.876 -7.254 7.789 1.00 0.00 C ATOM 1183 CD GLU A 76 10.380 -7.482 7.744 1.00 0.00 C ATOM 1184 OE1 GLU A 76 11.102 -6.510 7.625 1.00 0.00 O ATOM 1185 OE2 GLU A 76 10.785 -8.630 7.835 1.00 0.00 O ATOM 0 H GLU A 76 7.457 -5.590 8.920 1.00 0.00 H new ATOM 0 HA GLU A 76 6.734 -5.029 6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.664 -6.585 5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.061 -5.305 6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.582 -6.921 8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.353 -8.191 7.599 1.00 0.00 H new ATOM 1192 N ALA A 77 6.031 -8.066 7.339 1.00 0.00 N ATOM 1193 CA ALA A 77 5.253 -9.265 7.057 1.00 0.00 C ATOM 1194 C ALA A 77 3.766 -8.946 6.968 1.00 0.00 C ATOM 1195 O ALA A 77 2.997 -9.715 6.402 1.00 0.00 O ATOM 1196 CB ALA A 77 5.492 -10.313 8.145 1.00 0.00 C ATOM 0 H ALA A 77 6.489 -8.066 8.251 1.00 0.00 H new ATOM 0 HA ALA A 77 5.578 -9.660 6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.906 -11.206 7.925 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.550 -10.572 8.175 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.190 -9.909 9.111 1.00 0.00 H new ATOM 1202 N ASP A 78 3.367 -7.820 7.553 1.00 0.00 N ATOM 1203 CA ASP A 78 1.964 -7.410 7.543 1.00 0.00 C ATOM 1204 C ASP A 78 1.584 -6.762 6.207 1.00 0.00 C ATOM 1205 O ASP A 78 0.539 -7.069 5.635 1.00 0.00 O ATOM 1206 CB ASP A 78 1.705 -6.418 8.681 1.00 0.00 C ATOM 1207 CG ASP A 78 0.210 -6.121 8.791 1.00 0.00 C ATOM 1208 OD1 ASP A 78 -0.530 -6.560 7.925 1.00 0.00 O ATOM 1209 OD2 ASP A 78 -0.175 -5.462 9.743 1.00 0.00 O ATOM 0 H ASP A 78 3.992 -7.177 8.039 1.00 0.00 H new ATOM 0 HA ASP A 78 1.352 -8.301 7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.072 -6.828 9.622 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.255 -5.494 8.500 1.00 0.00 H new ATOM 1214 N ILE A 79 2.432 -5.845 5.725 1.00 0.00 N ATOM 1215 CA ILE A 79 2.171 -5.139 4.464 1.00 0.00 C ATOM 1216 C ILE A 79 2.526 -6.001 3.260 1.00 0.00 C ATOM 1217 O ILE A 79 1.903 -5.908 2.211 1.00 0.00 O ATOM 1218 CB ILE A 79 2.967 -3.830 4.432 1.00 0.00 C ATOM 1219 CG1 ILE A 79 4.464 -4.129 4.567 1.00 0.00 C ATOM 1220 CG2 ILE A 79 2.513 -2.956 5.602 1.00 0.00 C ATOM 1221 CD1 ILE A 79 5.271 -2.833 4.470 1.00 0.00 C ATOM 0 H ILE A 79 3.301 -5.575 6.186 1.00 0.00 H new ATOM 0 HA ILE A 79 1.105 -4.918 4.410 1.00 0.00 H new ATOM 0 HB ILE A 79 2.794 -3.314 3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.660 -4.618 5.521 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.777 -4.820 3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.070 -2.019 5.594 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.448 -2.745 5.507 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.697 -3.480 6.540 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.333 -3.058 4.567 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.087 -2.361 3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.969 -2.156 5.269 1.00 0.00 H new ATOM 1233 N LEU A 80 3.535 -6.845 3.416 1.00 0.00 N ATOM 1234 CA LEU A 80 3.956 -7.722 2.331 1.00 0.00 C ATOM 1235 C LEU A 80 2.755 -8.455 1.698 1.00 0.00 C ATOM 1236 O LEU A 80 2.510 -8.313 0.500 1.00 0.00 O ATOM 1237 CB LEU A 80 5.011 -8.736 2.851 1.00 0.00 C ATOM 1238 CG LEU A 80 6.458 -8.199 2.691 1.00 0.00 C ATOM 1239 CD1 LEU A 80 7.406 -8.987 3.614 1.00 0.00 C ATOM 1240 CD2 LEU A 80 6.931 -8.379 1.234 1.00 0.00 C ATOM 0 H LEU A 80 4.075 -6.942 4.276 1.00 0.00 H new ATOM 0 HA LEU A 80 4.408 -7.109 1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.819 -8.953 3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.910 -9.675 2.308 1.00 0.00 H new ATOM 0 HG LEU A 80 6.469 -7.141 2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.422 -8.609 3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.088 -8.868 4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.380 -10.043 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.948 -7.999 1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.911 -9.437 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.269 -7.828 0.566 1.00 0.00 H new ATOM 1252 N PRO A 81 2.015 -9.234 2.453 1.00 0.00 N ATOM 1253 CA PRO A 81 0.846 -9.987 1.907 1.00 0.00 C ATOM 1254 C PRO A 81 -0.204 -9.053 1.298 1.00 0.00 C ATOM 1255 O PRO A 81 -0.969 -9.459 0.425 1.00 0.00 O ATOM 1256 CB PRO A 81 0.298 -10.758 3.135 1.00 0.00 C ATOM 1257 CG PRO A 81 0.820 -10.006 4.321 1.00 0.00 C ATOM 1258 CD PRO A 81 2.195 -9.491 3.891 1.00 0.00 C ATOM 0 HA PRO A 81 1.122 -10.651 1.088 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.792 -10.785 3.132 1.00 0.00 H new ATOM 0 HB3 PRO A 81 0.642 -11.792 3.139 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.157 -9.184 4.590 1.00 0.00 H new ATOM 0 HG3 PRO A 81 0.897 -10.652 5.195 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.475 -8.586 4.431 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.978 -10.227 4.075 1.00 0.00 H new ATOM 1266 N MET A 82 -0.235 -7.810 1.760 1.00 0.00 N ATOM 1267 CA MET A 82 -1.204 -6.845 1.248 1.00 0.00 C ATOM 1268 C MET A 82 -0.934 -6.544 -0.225 1.00 0.00 C ATOM 1269 O MET A 82 -1.861 -6.345 -1.008 1.00 0.00 O ATOM 1270 CB MET A 82 -1.141 -5.551 2.064 1.00 0.00 C ATOM 1271 CG MET A 82 -2.301 -4.632 1.676 1.00 0.00 C ATOM 1272 SD MET A 82 -2.241 -3.133 2.692 1.00 0.00 S ATOM 1273 CE MET A 82 -1.140 -2.160 1.633 1.00 0.00 C ATOM 0 H MET A 82 0.391 -7.447 2.479 1.00 0.00 H new ATOM 0 HA MET A 82 -2.201 -7.276 1.339 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.188 -5.780 3.129 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.191 -5.046 1.888 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.237 -4.372 0.619 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.251 -5.146 1.821 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.648 -1.391 2.229 1.00 0.00 H new ATOM 0 HE2 MET A 82 -0.388 -2.814 1.192 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.721 -1.689 0.840 1.00 0.00 H new ATOM 1283 N LEU A 83 0.342 -6.505 -0.589 1.00 0.00 N ATOM 1284 CA LEU A 83 0.732 -6.220 -1.966 1.00 0.00 C ATOM 1285 C LEU A 83 0.198 -7.287 -2.914 1.00 0.00 C ATOM 1286 O LEU A 83 -0.241 -6.981 -4.024 1.00 0.00 O ATOM 1287 CB LEU A 83 2.260 -6.158 -2.068 1.00 0.00 C ATOM 1288 CG LEU A 83 2.824 -5.167 -1.034 1.00 0.00 C ATOM 1289 CD1 LEU A 83 4.356 -5.236 -1.058 1.00 0.00 C ATOM 1290 CD2 LEU A 83 2.355 -3.726 -1.348 1.00 0.00 C ATOM 0 H LEU A 83 1.123 -6.666 0.047 1.00 0.00 H new ATOM 0 HA LEU A 83 0.306 -5.259 -2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.683 -7.149 -1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.552 -5.852 -3.072 1.00 0.00 H new ATOM 0 HG LEU A 83 2.458 -5.437 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.763 -4.537 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.679 -6.247 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.717 -4.973 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.764 -3.040 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.704 -3.438 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.266 -3.683 -1.320 1.00 0.00 H new ATOM 1302 N ALA A 84 0.235 -8.538 -2.477 1.00 0.00 N ATOM 1303 CA ALA A 84 -0.252 -9.631 -3.306 1.00 0.00 C ATOM 1304 C ALA A 84 -1.736 -9.450 -3.605 1.00 0.00 C ATOM 1305 O ALA A 84 -2.198 -9.748 -4.706 1.00 0.00 O ATOM 1306 CB ALA A 84 -0.030 -10.963 -2.590 1.00 0.00 C ATOM 0 H ALA A 84 0.593 -8.819 -1.564 1.00 0.00 H new ATOM 0 HA ALA A 84 0.299 -9.629 -4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.396 -11.777 -3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.034 -11.101 -2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.570 -10.961 -1.643 1.00 0.00 H new ATOM 1312 N GLY A 85 -2.478 -8.956 -2.621 1.00 0.00 N ATOM 1313 CA GLY A 85 -3.908 -8.739 -2.797 1.00 0.00 C ATOM 1314 C GLY A 85 -4.176 -7.660 -3.843 1.00 0.00 C ATOM 1315 O GLY A 85 -5.080 -7.792 -4.664 1.00 0.00 O ATOM 0 H GLY A 85 -2.117 -8.700 -1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.386 -9.671 -3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.354 -8.447 -1.846 1.00 0.00 H new ATOM 1319 N LEU A 86 -3.389 -6.590 -3.800 1.00 0.00 N ATOM 1320 CA LEU A 86 -3.550 -5.489 -4.742 1.00 0.00 C ATOM 1321 C LEU A 86 -3.108 -5.914 -6.137 1.00 0.00 C ATOM 1322 O LEU A 86 -3.719 -5.535 -7.137 1.00 0.00 O ATOM 1323 CB LEU A 86 -2.718 -4.294 -4.273 1.00 0.00 C ATOM 1324 CG LEU A 86 -3.265 -3.742 -2.939 1.00 0.00 C ATOM 1325 CD1 LEU A 86 -2.258 -2.737 -2.367 1.00 0.00 C ATOM 1326 CD2 LEU A 86 -4.631 -3.043 -3.142 1.00 0.00 C ATOM 0 H LEU A 86 -2.635 -6.462 -3.125 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.602 -5.207 -4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.678 -4.594 -4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.736 -3.511 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.408 -4.573 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.635 -2.341 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.304 -3.235 -2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.118 -1.919 -3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.992 -2.664 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.515 -2.214 -3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.349 -3.758 -3.543 1.00 0.00 H new ATOM 1338 N ALA A 87 -2.040 -6.699 -6.196 1.00 0.00 N ATOM 1339 CA ALA A 87 -1.516 -7.167 -7.473 1.00 0.00 C ATOM 1340 C ALA A 87 -2.618 -7.824 -8.297 1.00 0.00 C ATOM 1341 O ALA A 87 -2.537 -7.884 -9.522 1.00 0.00 O ATOM 1342 CB ALA A 87 -0.391 -8.173 -7.229 1.00 0.00 C ATOM 0 H ALA A 87 -1.522 -7.024 -5.380 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.130 -6.311 -8.026 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.001 -8.522 -8.185 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.409 -7.695 -6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.778 -9.021 -6.664 1.00 0.00 H new ATOM 1348 N GLN A 88 -3.647 -8.314 -7.614 1.00 0.00 N ATOM 1349 CA GLN A 88 -4.757 -8.963 -8.297 1.00 0.00 C ATOM 1350 C GLN A 88 -5.445 -7.988 -9.248 1.00 0.00 C ATOM 1351 O GLN A 88 -5.989 -8.391 -10.276 1.00 0.00 O ATOM 1352 CB GLN A 88 -5.774 -9.479 -7.277 1.00 0.00 C ATOM 1353 CG GLN A 88 -5.132 -10.571 -6.421 1.00 0.00 C ATOM 1354 CD GLN A 88 -6.126 -11.065 -5.377 1.00 0.00 C ATOM 1355 OE1 GLN A 88 -7.293 -10.673 -5.393 1.00 0.00 O ATOM 1356 NE2 GLN A 88 -5.731 -11.907 -4.461 1.00 0.00 N ATOM 0 H GLN A 88 -3.735 -8.274 -6.599 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.361 -9.801 -8.871 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.117 -8.661 -6.644 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.651 -9.873 -7.790 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.813 -11.400 -7.053 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -4.239 -10.183 -5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -4.764 -12.231 -4.449 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -6.390 -12.241 -3.757 1.00 0.00 H new ATOM 1365 N LYS A 89 -5.428 -6.701 -8.892 1.00 0.00 N ATOM 1366 CA LYS A 89 -6.066 -5.664 -9.712 1.00 0.00 C ATOM 1367 C LYS A 89 -5.038 -4.991 -10.615 1.00 0.00 C ATOM 1368 O LYS A 89 -5.367 -4.091 -11.386 1.00 0.00 O ATOM 1369 CB LYS A 89 -6.707 -4.613 -8.803 1.00 0.00 C ATOM 1370 CG LYS A 89 -7.684 -5.297 -7.840 1.00 0.00 C ATOM 1371 CD LYS A 89 -8.532 -4.246 -7.113 1.00 0.00 C ATOM 1372 CE LYS A 89 -7.635 -3.262 -6.343 1.00 0.00 C ATOM 1373 NZ LYS A 89 -6.524 -4.002 -5.685 1.00 0.00 N ATOM 0 H LYS A 89 -4.981 -6.351 -8.044 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.830 -6.131 -10.333 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.937 -4.084 -8.242 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.232 -3.869 -9.403 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.331 -5.980 -8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.133 -5.895 -7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.142 -3.702 -7.834 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.217 -4.738 -6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.232 -2.513 -7.025 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.222 -2.729 -5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.940 -3.337 -5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.917 -4.723 -5.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.937 -4.463 -6.409 1.00 0.00 H new ATOM 1387 N ARG A 90 -3.795 -5.443 -10.517 1.00 0.00 N ATOM 1388 CA ARG A 90 -2.717 -4.893 -11.330 1.00 0.00 C ATOM 1389 C ARG A 90 -2.608 -3.382 -11.115 1.00 0.00 C ATOM 1390 O ARG A 90 -2.533 -2.613 -12.071 1.00 0.00 O ATOM 1391 CB ARG A 90 -2.981 -5.190 -12.816 1.00 0.00 C ATOM 1392 CG ARG A 90 -1.701 -4.978 -13.638 1.00 0.00 C ATOM 1393 CD ARG A 90 -1.989 -5.249 -15.112 1.00 0.00 C ATOM 1394 NE ARG A 90 -0.747 -5.228 -15.872 1.00 0.00 N ATOM 1395 CZ ARG A 90 -0.749 -5.373 -17.191 1.00 0.00 C ATOM 1396 NH1 ARG A 90 0.377 -5.360 -17.848 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -1.877 -5.523 -17.828 1.00 0.00 N ATOM 0 H ARG A 90 -3.508 -6.189 -9.883 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.778 -5.359 -11.031 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.330 -6.216 -12.932 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.772 -4.540 -13.189 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.339 -3.958 -13.509 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.914 -5.643 -13.282 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.478 -6.217 -15.224 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.676 -4.498 -15.501 1.00 0.00 H new ATOM 0 HE ARG A 90 0.139 -5.100 -15.383 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.258 -5.239 -17.348 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.377 -5.471 -18.862 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.757 -5.529 -17.312 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.879 -5.634 -18.842 1.00 0.00 H new ATOM 1411 N VAL A 91 -2.609 -2.960 -9.850 1.00 0.00 N ATOM 1412 CA VAL A 91 -2.510 -1.534 -9.511 1.00 0.00 C ATOM 1413 C VAL A 91 -1.122 -1.217 -8.975 1.00 0.00 C ATOM 1414 O VAL A 91 -0.843 -0.089 -8.593 1.00 0.00 O ATOM 1415 CB VAL A 91 -3.567 -1.168 -8.467 1.00 0.00 C ATOM 1416 CG1 VAL A 91 -4.962 -1.301 -9.086 1.00 0.00 C ATOM 1417 CG2 VAL A 91 -3.446 -2.110 -7.266 1.00 0.00 C ATOM 0 H VAL A 91 -2.677 -3.581 -9.043 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.683 -0.947 -10.413 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.413 -0.140 -8.137 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.716 -1.041 -8.343 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.047 -0.629 -9.940 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.117 -2.328 -9.416 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.199 -1.850 -6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.600 -3.138 -7.593 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.453 -2.014 -6.827 1.00 0.00 H new ATOM 1427 N LEU A 92 -0.256 -2.228 -8.949 1.00 0.00 N ATOM 1428 CA LEU A 92 1.117 -2.066 -8.461 1.00 0.00 C ATOM 1429 C LEU A 92 2.088 -1.975 -9.625 1.00 0.00 C ATOM 1430 O LEU A 92 1.751 -2.298 -10.764 1.00 0.00 O ATOM 1431 CB LEU A 92 1.496 -3.253 -7.572 1.00 0.00 C ATOM 1432 CG LEU A 92 0.678 -3.252 -6.268 1.00 0.00 C ATOM 1433 CD1 LEU A 92 0.950 -4.573 -5.519 1.00 0.00 C ATOM 1434 CD2 LEU A 92 1.051 -2.037 -5.374 1.00 0.00 C ATOM 0 H LEU A 92 -0.480 -3.173 -9.261 1.00 0.00 H new ATOM 0 HA LEU A 92 1.172 -1.144 -7.882 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.325 -4.185 -8.111 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.560 -3.211 -7.338 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.382 -3.168 -6.507 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.378 -4.590 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.651 -5.414 -6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.013 -4.650 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.458 -2.062 -4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.110 -2.083 -5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.847 -1.112 -5.914 1.00 0.00 H new ATOM 1446 N GLU A 93 3.294 -1.519 -9.319 1.00 0.00 N ATOM 1447 CA GLU A 93 4.331 -1.365 -10.327 1.00 0.00 C ATOM 1448 C GLU A 93 5.707 -1.451 -9.684 1.00 0.00 C ATOM 1449 O GLU A 93 5.991 -0.761 -8.704 1.00 0.00 O ATOM 1450 CB GLU A 93 4.160 -0.009 -11.009 1.00 0.00 C ATOM 1451 CG GLU A 93 5.077 0.096 -12.231 1.00 0.00 C ATOM 1452 CD GLU A 93 4.590 -0.827 -13.348 1.00 0.00 C ATOM 1453 OE1 GLU A 93 3.499 -1.356 -13.222 1.00 0.00 O ATOM 1454 OE2 GLU A 93 5.324 -0.997 -14.309 1.00 0.00 O ATOM 0 H GLU A 93 3.578 -1.249 -8.377 1.00 0.00 H new ATOM 0 HA GLU A 93 4.243 -2.163 -11.064 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.122 0.123 -11.314 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.390 0.791 -10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.101 1.126 -12.587 1.00 0.00 H new ATOM 0 HG3 GLU A 93 6.097 -0.169 -11.951 1.00 0.00 H new ATOM 1461 N ARG A 94 6.556 -2.298 -10.249 1.00 0.00 N ATOM 1462 CA ARG A 94 7.915 -2.483 -9.739 1.00 0.00 C ATOM 1463 C ARG A 94 8.829 -2.952 -10.866 1.00 0.00 C ATOM 1464 O ARG A 94 9.442 -2.102 -11.492 1.00 0.00 O ATOM 1465 CB ARG A 94 7.936 -3.551 -8.638 1.00 0.00 C ATOM 1466 CG ARG A 94 7.012 -3.150 -7.486 1.00 0.00 C ATOM 1467 CD ARG A 94 7.213 -4.102 -6.311 1.00 0.00 C ATOM 1468 NE ARG A 94 6.279 -3.769 -5.238 1.00 0.00 N ATOM 1469 CZ ARG A 94 5.001 -4.144 -5.293 1.00 0.00 C ATOM 1470 NH1 ARG A 94 4.181 -3.819 -4.331 1.00 0.00 N ATOM 1471 NH2 ARG A 94 4.568 -4.831 -6.314 1.00 0.00 N ATOM 1472 OXT ARG A 94 8.902 -4.148 -11.089 1.00 0.00 O ATOM 0 H ARG A 94 6.331 -2.871 -11.062 1.00 0.00 H new ATOM 0 HA ARG A 94 8.258 -1.530 -9.337 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.621 -4.511 -9.048 1.00 0.00 H new ATOM 0 HB3 ARG A 94 8.953 -3.681 -8.268 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.223 -2.126 -7.177 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.973 -3.176 -7.814 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.057 -5.131 -6.634 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.238 -4.034 -5.947 1.00 0.00 H new ATOM 0 HE ARG A 94 6.611 -3.240 -4.432 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.518 -3.277 -3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.203 -4.107 -4.375 1.00 0.00 H new ATOM 0 HH21 ARG A 94 5.207 -5.081 -7.069 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.590 -5.119 -6.357 1.00 0.00 H new TER 1486 ARG A 94