USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 532 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 Single : A 1 MET CE :methyl 157:sc= -0.168 (180deg=-0.861) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.0976 (180deg=-0.17) USER MOD Single : A 2 LYS NZ :NH3+ 162:sc= -0.0747 (180deg=-0.428) USER MOD Single : A 4 MET CE :methyl -164:sc= -0.081 (180deg=-0.46) USER MOD Single : A 7 LYS NZ :NH3+ -162:sc= 1.78 (180deg=1.2) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS :FLIP no HE2:sc= -0.476 F(o=-1.3,f=-0.48) USER MOD Single : A 13 SER OG : rot 125:sc= 0.0178 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00497) USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= -0.0366 (180deg=-0.307) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.223 K(o=0.22,f=-10!) USER MOD Single : A 37 LYS NZ :NH3+ -117:sc= 1.22 (180deg=-1.59) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.918 USER MOD Single : A 42 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.16) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 163:sc= 0 (180deg=-0.286) USER MOD Single : A 55 THR OG1 : rot 17:sc= 0.272 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -165:sc= -0.046 (180deg=-0.233) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.038 0.616 0.577 1.00 0.00 N ATOM 2 CA MET A 1 2.106 0.446 -0.564 1.00 0.00 C ATOM 3 C MET A 1 2.188 -0.984 -1.114 1.00 0.00 C ATOM 4 O MET A 1 1.745 -1.258 -2.229 1.00 0.00 O ATOM 5 CB MET A 1 2.443 1.463 -1.671 1.00 0.00 C ATOM 6 CG MET A 1 1.396 1.553 -2.779 1.00 0.00 C ATOM 7 SD MET A 1 1.910 2.614 -4.146 1.00 0.00 S ATOM 8 CE MET A 1 3.338 1.720 -4.760 1.00 0.00 C ATOM 0 H1 MET A 1 3.111 1.625 0.818 1.00 0.00 H new ATOM 0 H2 MET A 1 2.680 0.088 1.399 1.00 0.00 H new ATOM 0 H3 MET A 1 3.977 0.254 0.315 1.00 0.00 H new ATOM 0 HA MET A 1 1.088 0.624 -0.216 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.563 2.448 -1.220 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.402 1.196 -2.114 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.190 0.553 -3.160 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.464 1.933 -2.361 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.517 1.991 -5.800 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.213 1.977 -4.162 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.153 0.648 -4.691 1.00 0.00 H new ATOM 18 N LYS A 2 2.731 -1.903 -0.319 1.00 0.00 N ATOM 19 CA LYS A 2 2.932 -3.281 -0.761 1.00 0.00 C ATOM 20 C LYS A 2 1.877 -4.193 -0.131 1.00 0.00 C ATOM 21 O LYS A 2 1.770 -4.281 1.095 1.00 0.00 O ATOM 22 CB LYS A 2 4.360 -3.737 -0.390 1.00 0.00 C ATOM 23 CG LYS A 2 4.812 -5.067 -1.008 1.00 0.00 C ATOM 24 CD LYS A 2 4.228 -6.286 -0.290 1.00 0.00 C ATOM 25 CE LYS A 2 4.820 -7.590 -0.810 1.00 0.00 C ATOM 26 NZ LYS A 2 6.296 -7.635 -0.636 1.00 0.00 N ATOM 0 H LYS A 2 3.040 -1.718 0.635 1.00 0.00 H new ATOM 0 HA LYS A 2 2.821 -3.340 -1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.061 -2.959 -0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.425 -3.820 0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.517 -5.093 -2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.900 -5.123 -0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.418 -6.202 0.780 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.146 -6.301 -0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.366 -8.430 -0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.575 -7.705 -1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.624 -8.619 -0.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 6.750 -7.063 -1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.547 -7.254 0.299 1.00 0.00 H new ATOM 40 N VAL A 3 1.087 -4.851 -0.974 1.00 0.00 N ATOM 41 CA VAL A 3 0.108 -5.825 -0.508 1.00 0.00 C ATOM 42 C VAL A 3 0.105 -7.046 -1.425 1.00 0.00 C ATOM 43 O VAL A 3 0.022 -6.920 -2.649 1.00 0.00 O ATOM 44 CB VAL A 3 -1.321 -5.220 -0.423 1.00 0.00 C ATOM 45 CG1 VAL A 3 -1.851 -4.825 -1.803 1.00 0.00 C ATOM 46 CG2 VAL A 3 -2.276 -6.186 0.276 1.00 0.00 C ATOM 0 H VAL A 3 1.107 -4.726 -1.986 1.00 0.00 H new ATOM 0 HA VAL A 3 0.399 -6.125 0.499 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.259 -4.309 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.852 -4.406 -1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.190 -4.081 -2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.889 -5.706 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.271 -5.743 0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.322 -7.120 -0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.918 -6.385 1.286 1.00 0.00 H new ATOM 56 N MET A 4 0.227 -8.224 -0.829 1.00 0.00 N ATOM 57 CA MET A 4 0.216 -9.474 -1.579 1.00 0.00 C ATOM 58 C MET A 4 -1.139 -10.151 -1.424 1.00 0.00 C ATOM 59 O MET A 4 -1.482 -10.621 -0.338 1.00 0.00 O ATOM 60 CB MET A 4 1.334 -10.405 -1.088 1.00 0.00 C ATOM 61 CG MET A 4 1.343 -11.771 -1.768 1.00 0.00 C ATOM 62 SD MET A 4 2.627 -12.864 -1.124 1.00 0.00 S ATOM 63 CE MET A 4 4.106 -11.980 -1.617 1.00 0.00 C ATOM 0 H MET A 4 0.335 -8.341 0.178 1.00 0.00 H new ATOM 0 HA MET A 4 0.390 -9.256 -2.633 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.296 -9.921 -1.254 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.230 -10.546 -0.012 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.370 -12.244 -1.636 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.490 -11.637 -2.840 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.967 -12.646 -1.551 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.996 -11.630 -2.643 1.00 0.00 H new ATOM 0 HE3 MET A 4 4.256 -11.126 -0.957 1.00 0.00 H new ATOM 73 N ILE A 5 -1.915 -10.180 -2.498 1.00 0.00 N ATOM 74 CA ILE A 5 -3.227 -10.810 -2.465 1.00 0.00 C ATOM 75 C ILE A 5 -3.086 -12.305 -2.719 1.00 0.00 C ATOM 76 O ILE A 5 -2.733 -12.727 -3.822 1.00 0.00 O ATOM 77 CB ILE A 5 -4.185 -10.193 -3.510 1.00 0.00 C ATOM 78 CG1 ILE A 5 -4.261 -8.664 -3.340 1.00 0.00 C ATOM 79 CG2 ILE A 5 -5.576 -10.817 -3.393 1.00 0.00 C ATOM 80 CD1 ILE A 5 -4.772 -8.213 -1.984 1.00 0.00 C ATOM 0 H ILE A 5 -1.660 -9.776 -3.399 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.654 -10.639 -1.477 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.794 -10.407 -4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.269 -8.242 -3.500 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.910 -8.255 -4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.238 -10.372 -4.136 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.508 -11.891 -3.565 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.974 -10.633 -2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.794 -7.124 -1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.778 -8.602 -1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.111 -8.589 -1.203 1.00 0.00 H new ATOM 92 N ARG A 6 -3.355 -13.099 -1.693 1.00 0.00 N ATOM 93 CA ARG A 6 -3.176 -14.542 -1.762 1.00 0.00 C ATOM 94 C ARG A 6 -4.523 -15.245 -1.915 1.00 0.00 C ATOM 95 O ARG A 6 -5.516 -14.860 -1.290 1.00 0.00 O ATOM 96 CB ARG A 6 -2.463 -15.039 -0.499 1.00 0.00 C ATOM 97 CG ARG A 6 -1.093 -14.397 -0.264 1.00 0.00 C ATOM 98 CD ARG A 6 -0.490 -14.839 1.063 1.00 0.00 C ATOM 99 NE ARG A 6 0.841 -14.269 1.302 1.00 0.00 N ATOM 100 CZ ARG A 6 1.379 -14.131 2.519 1.00 0.00 C ATOM 101 NH1 ARG A 6 0.666 -14.441 3.597 1.00 0.00 N ATOM 102 NH2 ARG A 6 2.615 -13.662 2.661 1.00 0.00 N ATOM 0 H ARG A 6 -3.702 -12.764 -0.794 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.565 -14.776 -2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.098 -14.843 0.365 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.340 -16.120 -0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.420 -14.665 -1.078 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.192 -13.312 -0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.156 -14.547 1.875 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.423 -15.927 1.082 1.00 0.00 H new ATOM 0 HE ARG A 6 1.386 -13.961 0.496 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.289 -14.783 3.495 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.074 -14.337 4.526 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.160 -13.404 1.838 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.018 -13.560 3.593 1.00 0.00 H new ATOM 116 N LYS A 7 -4.554 -16.271 -2.761 1.00 0.00 N ATOM 117 CA LYS A 7 -5.755 -17.075 -2.953 1.00 0.00 C ATOM 118 C LYS A 7 -5.607 -18.407 -2.228 1.00 0.00 C ATOM 119 O LYS A 7 -4.490 -18.862 -1.969 1.00 0.00 O ATOM 120 CB LYS A 7 -6.016 -17.341 -4.441 1.00 0.00 C ATOM 121 CG LYS A 7 -6.128 -16.087 -5.304 1.00 0.00 C ATOM 122 CD LYS A 7 -6.681 -16.413 -6.692 1.00 0.00 C ATOM 123 CE LYS A 7 -5.950 -17.592 -7.330 1.00 0.00 C ATOM 124 NZ LYS A 7 -6.525 -17.965 -8.650 1.00 0.00 N ATOM 0 H LYS A 7 -3.757 -16.565 -3.326 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.598 -16.518 -2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.211 -17.963 -4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.938 -17.915 -4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.777 -15.362 -4.813 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.147 -15.622 -5.401 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.744 -16.642 -6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.590 -15.537 -7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.897 -17.340 -7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.996 -18.451 -6.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.219 -18.926 -8.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.563 -17.935 -8.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.195 -17.295 -9.374 1.00 0.00 H new ATOM 138 N THR A 8 -6.731 -19.028 -1.910 1.00 0.00 N ATOM 139 CA THR A 8 -6.736 -20.327 -1.254 1.00 0.00 C ATOM 140 C THR A 8 -7.847 -21.199 -1.851 1.00 0.00 C ATOM 141 O THR A 8 -8.778 -20.674 -2.470 1.00 0.00 O ATOM 142 CB THR A 8 -6.934 -20.171 0.275 1.00 0.00 C ATOM 143 OG1 THR A 8 -6.057 -19.149 0.775 1.00 0.00 O ATOM 144 CG2 THR A 8 -6.643 -21.477 1.010 1.00 0.00 C ATOM 0 H THR A 8 -7.660 -18.650 -2.097 1.00 0.00 H new ATOM 0 HA THR A 8 -5.773 -20.809 -1.420 1.00 0.00 H new ATOM 0 HB THR A 8 -7.974 -19.897 0.451 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.186 -19.052 1.742 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.791 -21.333 2.080 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.318 -22.254 0.652 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.612 -21.777 0.824 1.00 0.00 H new ATOM 152 N ALA A 9 -7.726 -22.521 -1.689 1.00 0.00 N ATOM 153 CA ALA A 9 -8.726 -23.470 -2.191 1.00 0.00 C ATOM 154 C ALA A 9 -10.143 -22.994 -1.877 1.00 0.00 C ATOM 155 O ALA A 9 -11.006 -22.940 -2.756 1.00 0.00 O ATOM 156 CB ALA A 9 -8.485 -24.852 -1.595 1.00 0.00 C ATOM 0 H ALA A 9 -6.940 -22.961 -1.211 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.624 -23.530 -3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.233 -25.548 -1.975 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.491 -25.200 -1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -8.558 -24.798 -0.509 1.00 0.00 H new ATOM 162 N THR A 10 -10.369 -22.642 -0.620 1.00 0.00 N ATOM 163 CA THR A 10 -11.635 -22.071 -0.190 1.00 0.00 C ATOM 164 C THR A 10 -11.380 -20.789 0.603 1.00 0.00 C ATOM 165 O THR A 10 -11.056 -20.838 1.793 1.00 0.00 O ATOM 166 CB THR A 10 -12.442 -23.075 0.670 1.00 0.00 C ATOM 167 OG1 THR A 10 -12.643 -24.295 -0.062 1.00 0.00 O ATOM 168 CG2 THR A 10 -13.795 -22.497 1.077 1.00 0.00 C ATOM 0 H THR A 10 -9.682 -22.744 0.127 1.00 0.00 H new ATOM 0 HA THR A 10 -12.224 -21.840 -1.078 1.00 0.00 H new ATOM 0 HB THR A 10 -11.869 -23.277 1.575 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.152 -24.926 0.488 1.00 0.00 H new ATOM 0 HG21 THR A 10 -14.336 -23.227 1.679 1.00 0.00 H new ATOM 0 HG22 THR A 10 -13.642 -21.588 1.659 1.00 0.00 H new ATOM 0 HG23 THR A 10 -14.374 -22.263 0.184 1.00 0.00 H new ATOM 176 N GLY A 11 -11.474 -19.649 -0.077 1.00 0.00 N ATOM 177 CA GLY A 11 -11.303 -18.364 0.578 1.00 0.00 C ATOM 178 C GLY A 11 -10.250 -17.495 -0.088 1.00 0.00 C ATOM 179 O GLY A 11 -9.577 -17.920 -1.031 1.00 0.00 O ATOM 0 H GLY A 11 -11.667 -19.593 -1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -12.255 -17.834 0.581 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.026 -18.527 1.620 1.00 0.00 H new ATOM 183 N HIS A 12 -10.123 -16.265 0.406 1.00 0.00 N ATOM 184 CA HIS A 12 -9.135 -15.303 -0.081 1.00 0.00 C ATOM 185 C HIS A 12 -8.539 -14.562 1.114 1.00 0.00 C ATOM 186 O HIS A 12 -9.266 -14.209 2.043 1.00 0.00 O ATOM 187 CB HIS A 12 -9.783 -14.294 -1.046 1.00 0.00 C ATOM 188 CG HIS A 12 -10.195 -14.869 -2.370 1.00 0.00 C ATOM 189 ND1 HIS A 12 -9.506 -15.001 -3.530 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 -11.460 -15.359 -2.625 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 -10.359 -15.557 -4.449 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 -11.528 -15.764 -3.881 1.00 0.00 N flip ATOM 0 H HIS A 12 -10.707 -15.905 1.161 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.354 -15.837 -0.621 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.660 -13.862 -0.564 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.082 -13.478 -1.222 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -8.534 -14.736 -3.690 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -12.268 -15.404 -1.910 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.111 -15.788 -5.474 1.00 0.00 H new ATOM 201 N SER A 13 -7.230 -14.330 1.100 1.00 0.00 N ATOM 202 CA SER A 13 -6.567 -13.620 2.190 1.00 0.00 C ATOM 203 C SER A 13 -5.598 -12.573 1.640 1.00 0.00 C ATOM 204 O SER A 13 -4.829 -12.846 0.716 1.00 0.00 O ATOM 205 CB SER A 13 -5.843 -14.620 3.106 1.00 0.00 C ATOM 206 OG SER A 13 -4.990 -15.484 2.370 1.00 0.00 O ATOM 0 H SER A 13 -6.607 -14.623 0.347 1.00 0.00 H new ATOM 0 HA SER A 13 -7.320 -13.097 2.780 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.258 -14.076 3.848 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.578 -15.212 3.651 1.00 0.00 H new ATOM 0 HG SER A 13 -4.082 -15.435 2.735 1.00 0.00 H new ATOM 212 N ALA A 14 -5.653 -11.368 2.199 1.00 0.00 N ATOM 213 CA ALA A 14 -4.807 -10.266 1.750 1.00 0.00 C ATOM 214 C ALA A 14 -3.683 -10.014 2.748 1.00 0.00 C ATOM 215 O ALA A 14 -3.936 -9.778 3.931 1.00 0.00 O ATOM 216 CB ALA A 14 -5.639 -9.005 1.555 1.00 0.00 C ATOM 0 H ALA A 14 -6.278 -11.129 2.968 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.362 -10.539 0.793 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.995 -8.192 1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.409 -9.189 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.109 -8.730 2.499 1.00 0.00 H new ATOM 222 N TYR A 15 -2.448 -10.080 2.265 1.00 0.00 N ATOM 223 CA TYR A 15 -1.272 -9.859 3.100 1.00 0.00 C ATOM 224 C TYR A 15 -0.824 -8.397 3.025 1.00 0.00 C ATOM 225 O TYR A 15 -0.231 -7.965 2.032 1.00 0.00 O ATOM 226 CB TYR A 15 -0.136 -10.795 2.659 1.00 0.00 C ATOM 227 CG TYR A 15 1.162 -10.597 3.419 1.00 0.00 C ATOM 228 CD1 TYR A 15 1.300 -11.048 4.728 1.00 0.00 C ATOM 229 CD2 TYR A 15 2.246 -9.953 2.830 1.00 0.00 C ATOM 230 CE1 TYR A 15 2.479 -10.865 5.422 1.00 0.00 C ATOM 231 CE2 TYR A 15 3.427 -9.767 3.519 1.00 0.00 C ATOM 232 CZ TYR A 15 3.539 -10.224 4.815 1.00 0.00 C ATOM 233 OH TYR A 15 4.714 -10.038 5.506 1.00 0.00 O ATOM 0 H TYR A 15 -2.233 -10.287 1.290 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.530 -10.081 4.136 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.462 -11.828 2.782 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.052 -10.645 1.596 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.472 -11.549 5.208 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.161 -9.592 1.816 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.571 -11.222 6.437 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.259 -9.266 3.046 1.00 0.00 H new ATOM 0 HH TYR A 15 5.359 -9.571 4.935 1.00 0.00 H new ATOM 243 N VAL A 16 -1.126 -7.642 4.076 1.00 0.00 N ATOM 244 CA VAL A 16 -0.730 -6.240 4.174 1.00 0.00 C ATOM 245 C VAL A 16 0.678 -6.131 4.761 1.00 0.00 C ATOM 246 O VAL A 16 0.890 -6.432 5.938 1.00 0.00 O ATOM 247 CB VAL A 16 -1.721 -5.443 5.058 1.00 0.00 C ATOM 248 CG1 VAL A 16 -1.338 -3.966 5.109 1.00 0.00 C ATOM 249 CG2 VAL A 16 -3.154 -5.620 4.559 1.00 0.00 C ATOM 0 H VAL A 16 -1.650 -7.982 4.882 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.741 -5.816 3.170 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.665 -5.839 6.072 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.049 -3.427 5.736 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.336 -3.864 5.526 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.355 -3.551 4.101 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.833 -5.052 5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.229 -5.259 3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.423 -6.676 4.593 1.00 0.00 H new ATOM 259 N ALA A 17 1.632 -5.691 3.942 1.00 0.00 N ATOM 260 CA ALA A 17 3.045 -5.673 4.321 1.00 0.00 C ATOM 261 C ALA A 17 3.313 -4.809 5.555 1.00 0.00 C ATOM 262 O ALA A 17 4.000 -5.244 6.479 1.00 0.00 O ATOM 263 CB ALA A 17 3.899 -5.192 3.156 1.00 0.00 C ATOM 0 H ALA A 17 1.450 -5.339 3.002 1.00 0.00 H new ATOM 0 HA ALA A 17 3.316 -6.697 4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.948 -5.184 3.453 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.767 -5.863 2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.594 -4.184 2.873 1.00 0.00 H new ATOM 269 N LYS A 18 2.749 -3.598 5.580 1.00 0.00 N ATOM 270 CA LYS A 18 3.069 -2.613 6.625 1.00 0.00 C ATOM 271 C LYS A 18 2.751 -3.120 8.039 1.00 0.00 C ATOM 272 O LYS A 18 3.148 -2.500 9.029 1.00 0.00 O ATOM 273 CB LYS A 18 2.364 -1.263 6.347 1.00 0.00 C ATOM 274 CG LYS A 18 0.834 -1.316 6.210 1.00 0.00 C ATOM 275 CD LYS A 18 0.112 -1.513 7.547 1.00 0.00 C ATOM 276 CE LYS A 18 0.444 -0.418 8.559 1.00 0.00 C ATOM 277 NZ LYS A 18 -0.029 0.921 8.123 1.00 0.00 N ATOM 0 H LYS A 18 2.070 -3.274 4.892 1.00 0.00 H new ATOM 0 HA LYS A 18 4.147 -2.457 6.587 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.613 -0.573 7.154 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.776 -0.843 5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.485 -0.392 5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.564 -2.129 5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.964 -1.530 7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.384 -2.483 7.964 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.009 -0.665 9.519 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.522 -0.386 8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.190 1.623 8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.448 1.186 7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.057 0.892 7.967 1.00 0.00 H new ATOM 291 N LYS A 19 2.027 -4.231 8.137 1.00 0.00 N ATOM 292 CA LYS A 19 1.705 -4.819 9.437 1.00 0.00 C ATOM 293 C LYS A 19 1.699 -6.346 9.342 1.00 0.00 C ATOM 294 O LYS A 19 1.197 -7.030 10.238 1.00 0.00 O ATOM 295 CB LYS A 19 0.346 -4.292 9.938 1.00 0.00 C ATOM 296 CG LYS A 19 0.054 -4.630 11.398 1.00 0.00 C ATOM 297 CD LYS A 19 -1.248 -4.004 11.889 1.00 0.00 C ATOM 298 CE LYS A 19 -1.505 -4.326 13.357 1.00 0.00 C ATOM 299 NZ LYS A 19 -0.411 -3.827 14.237 1.00 0.00 N ATOM 0 H LYS A 19 1.653 -4.742 7.337 1.00 0.00 H new ATOM 0 HA LYS A 19 2.470 -4.527 10.156 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.318 -3.210 9.813 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.446 -4.706 9.314 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.000 -5.712 11.514 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.879 -4.283 12.021 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.206 -2.923 11.755 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.079 -4.369 11.285 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.451 -3.880 13.666 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.606 -5.404 13.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.731 -3.834 15.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.422 -4.442 14.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.159 -2.856 13.961 1.00 0.00 H new ATOM 313 N ASP A 20 2.280 -6.869 8.250 1.00 0.00 N ATOM 314 CA ASP A 20 2.325 -8.316 7.965 1.00 0.00 C ATOM 315 C ASP A 20 0.987 -8.992 8.282 1.00 0.00 C ATOM 316 O ASP A 20 0.927 -10.187 8.585 1.00 0.00 O ATOM 317 CB ASP A 20 3.494 -9.005 8.711 1.00 0.00 C ATOM 318 CG ASP A 20 3.373 -8.984 10.234 1.00 0.00 C ATOM 319 OD1 ASP A 20 2.756 -9.909 10.803 1.00 0.00 O ATOM 320 OD2 ASP A 20 3.926 -8.055 10.872 1.00 0.00 O ATOM 0 H ASP A 20 2.734 -6.299 7.536 1.00 0.00 H new ATOM 0 HA ASP A 20 2.505 -8.431 6.896 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.560 -10.041 8.379 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.427 -8.519 8.426 1.00 0.00 H new ATOM 325 N LEU A 21 -0.088 -8.221 8.139 1.00 0.00 N ATOM 326 CA LEU A 21 -1.422 -8.650 8.542 1.00 0.00 C ATOM 327 C LEU A 21 -2.113 -9.379 7.397 1.00 0.00 C ATOM 328 O LEU A 21 -2.345 -8.800 6.336 1.00 0.00 O ATOM 329 CB LEU A 21 -2.242 -7.417 8.990 1.00 0.00 C ATOM 330 CG LEU A 21 -3.609 -7.691 9.666 1.00 0.00 C ATOM 331 CD1 LEU A 21 -4.085 -6.459 10.432 1.00 0.00 C ATOM 332 CD2 LEU A 21 -4.671 -8.103 8.645 1.00 0.00 C ATOM 0 H LEU A 21 -0.058 -7.282 7.741 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.344 -9.344 9.379 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.632 -6.837 9.682 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.416 -6.790 8.116 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.466 -8.517 10.362 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.046 -6.670 10.900 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.356 -6.204 11.201 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.193 -5.621 9.743 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.616 -8.287 9.157 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.803 -7.304 7.915 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.352 -9.012 8.135 1.00 0.00 H new ATOM 344 N GLU A 22 -2.427 -10.652 7.613 1.00 0.00 N ATOM 345 CA GLU A 22 -3.200 -11.435 6.657 1.00 0.00 C ATOM 346 C GLU A 22 -4.563 -11.780 7.256 1.00 0.00 C ATOM 347 O GLU A 22 -4.660 -12.586 8.188 1.00 0.00 O ATOM 348 CB GLU A 22 -2.447 -12.714 6.270 1.00 0.00 C ATOM 349 CG GLU A 22 -3.214 -13.605 5.300 1.00 0.00 C ATOM 350 CD GLU A 22 -2.474 -14.890 4.959 1.00 0.00 C ATOM 351 OE1 GLU A 22 -2.318 -15.743 5.855 1.00 0.00 O ATOM 352 OE2 GLU A 22 -2.047 -15.051 3.799 1.00 0.00 O ATOM 0 H GLU A 22 -2.155 -11.167 8.450 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.347 -10.842 5.754 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.492 -12.441 5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.225 -13.282 7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.183 -13.854 5.733 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.409 -13.050 4.382 1.00 0.00 H new ATOM 359 N GLU A 23 -5.609 -11.153 6.727 1.00 0.00 N ATOM 360 CA GLU A 23 -6.976 -11.366 7.203 1.00 0.00 C ATOM 361 C GLU A 23 -7.831 -11.962 6.088 1.00 0.00 C ATOM 362 O GLU A 23 -7.461 -11.910 4.911 1.00 0.00 O ATOM 363 CB GLU A 23 -7.582 -10.037 7.686 1.00 0.00 C ATOM 364 CG GLU A 23 -8.970 -10.152 8.314 1.00 0.00 C ATOM 365 CD GLU A 23 -9.021 -11.052 9.542 1.00 0.00 C ATOM 366 OE1 GLU A 23 -9.211 -12.274 9.381 1.00 0.00 O ATOM 367 OE2 GLU A 23 -8.899 -10.534 10.670 1.00 0.00 O ATOM 0 H GLU A 23 -5.536 -10.485 5.959 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.954 -12.064 8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.906 -9.590 8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.638 -9.352 6.840 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.316 -9.156 8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.665 -10.534 7.567 1.00 0.00 H new ATOM 374 N LEU A 24 -8.974 -12.520 6.468 1.00 0.00 N ATOM 375 CA LEU A 24 -9.898 -13.124 5.519 1.00 0.00 C ATOM 376 C LEU A 24 -10.660 -12.040 4.761 1.00 0.00 C ATOM 377 O LEU A 24 -11.214 -11.115 5.366 1.00 0.00 O ATOM 378 CB LEU A 24 -10.884 -14.049 6.249 1.00 0.00 C ATOM 379 CG LEU A 24 -10.243 -15.213 7.025 1.00 0.00 C ATOM 380 CD1 LEU A 24 -11.310 -16.043 7.735 1.00 0.00 C ATOM 381 CD2 LEU A 24 -9.406 -16.089 6.093 1.00 0.00 C ATOM 0 H LEU A 24 -9.285 -12.566 7.438 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.325 -13.716 4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.471 -13.450 6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.579 -14.461 5.518 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.581 -14.793 7.782 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.834 -16.860 8.277 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.855 -15.411 8.436 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.003 -16.451 6.999 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.962 -16.906 6.662 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.043 -16.498 5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.615 -15.489 5.642 1.00 0.00 H new ATOM 393 N ILE A 25 -10.665 -12.149 3.439 1.00 0.00 N ATOM 394 CA ILE A 25 -11.402 -11.228 2.586 1.00 0.00 C ATOM 395 C ILE A 25 -12.888 -11.582 2.591 1.00 0.00 C ATOM 396 O ILE A 25 -13.329 -12.499 1.891 1.00 0.00 O ATOM 397 CB ILE A 25 -10.853 -11.243 1.137 1.00 0.00 C ATOM 398 CG1 ILE A 25 -9.400 -10.729 1.121 1.00 0.00 C ATOM 399 CG2 ILE A 25 -11.739 -10.417 0.207 1.00 0.00 C ATOM 400 CD1 ILE A 25 -8.750 -10.741 -0.248 1.00 0.00 C ATOM 0 H ILE A 25 -10.161 -12.875 2.930 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.273 -10.222 2.984 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.863 -12.269 0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.383 -9.711 1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.803 -11.339 1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.331 -10.444 -0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.747 -10.831 0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.772 -9.385 0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.730 -10.364 -0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.732 -11.761 -0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.320 -10.107 -0.927 1.00 0.00 H new ATOM 412 N VAL A 26 -13.648 -10.866 3.412 1.00 0.00 N ATOM 413 CA VAL A 26 -15.076 -11.120 3.560 1.00 0.00 C ATOM 414 C VAL A 26 -15.899 -10.275 2.588 1.00 0.00 C ATOM 415 O VAL A 26 -16.789 -10.792 1.907 1.00 0.00 O ATOM 416 CB VAL A 26 -15.549 -10.860 5.016 1.00 0.00 C ATOM 417 CG1 VAL A 26 -14.977 -11.916 5.962 1.00 0.00 C ATOM 418 CG2 VAL A 26 -15.159 -9.457 5.480 1.00 0.00 C ATOM 0 H VAL A 26 -13.296 -10.101 3.988 1.00 0.00 H new ATOM 0 HA VAL A 26 -15.236 -12.172 3.325 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.637 -10.930 5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.319 -11.718 6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.316 -12.904 5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.888 -11.880 5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.503 -9.303 6.503 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.075 -9.349 5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.620 -8.716 4.827 1.00 0.00 H new ATOM 428 N GLU A 27 -15.579 -8.989 2.504 1.00 0.00 N ATOM 429 CA GLU A 27 -16.347 -8.043 1.698 1.00 0.00 C ATOM 430 C GLU A 27 -15.513 -7.545 0.525 1.00 0.00 C ATOM 431 O GLU A 27 -14.582 -6.768 0.711 1.00 0.00 O ATOM 432 CB GLU A 27 -16.779 -6.856 2.569 1.00 0.00 C ATOM 433 CG GLU A 27 -17.701 -7.229 3.721 1.00 0.00 C ATOM 434 CD GLU A 27 -19.072 -7.690 3.254 1.00 0.00 C ATOM 435 OE1 GLU A 27 -19.926 -6.823 2.971 1.00 0.00 O ATOM 436 OE2 GLU A 27 -19.310 -8.915 3.185 1.00 0.00 O ATOM 0 H GLU A 27 -14.784 -8.573 2.989 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.231 -8.549 1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.889 -6.373 2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -17.282 -6.122 1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.238 -8.021 4.309 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.817 -6.369 4.380 1.00 0.00 H new ATOM 443 N MET A 28 -15.838 -8.000 -0.677 1.00 0.00 N ATOM 444 CA MET A 28 -15.139 -7.563 -1.887 1.00 0.00 C ATOM 445 C MET A 28 -16.126 -6.960 -2.881 1.00 0.00 C ATOM 446 O MET A 28 -17.265 -7.419 -2.992 1.00 0.00 O ATOM 447 CB MET A 28 -14.353 -8.726 -2.527 1.00 0.00 C ATOM 448 CG MET A 28 -14.947 -10.109 -2.276 1.00 0.00 C ATOM 449 SD MET A 28 -16.697 -10.221 -2.694 1.00 0.00 S ATOM 450 CE MET A 28 -17.010 -11.956 -2.370 1.00 0.00 C ATOM 0 H MET A 28 -16.584 -8.675 -0.845 1.00 0.00 H new ATOM 0 HA MET A 28 -14.419 -6.794 -1.606 1.00 0.00 H new ATOM 0 HB2 MET A 28 -14.295 -8.560 -3.603 1.00 0.00 H new ATOM 0 HB3 MET A 28 -13.332 -8.709 -2.147 1.00 0.00 H new ATOM 0 HG2 MET A 28 -14.394 -10.845 -2.859 1.00 0.00 H new ATOM 0 HG3 MET A 28 -14.814 -10.369 -1.226 1.00 0.00 H new ATOM 0 HE1 MET A 28 -18.055 -12.183 -2.582 1.00 0.00 H new ATOM 0 HE2 MET A 28 -16.369 -12.566 -3.007 1.00 0.00 H new ATOM 0 HE3 MET A 28 -16.796 -12.175 -1.324 1.00 0.00 H new ATOM 460 N GLU A 29 -15.694 -5.913 -3.583 1.00 0.00 N ATOM 461 CA GLU A 29 -16.545 -5.232 -4.556 1.00 0.00 C ATOM 462 C GLU A 29 -16.934 -6.181 -5.689 1.00 0.00 C ATOM 463 O GLU A 29 -18.078 -6.191 -6.147 1.00 0.00 O ATOM 464 CB GLU A 29 -15.829 -3.997 -5.119 1.00 0.00 C ATOM 465 CG GLU A 29 -16.701 -3.141 -6.029 1.00 0.00 C ATOM 466 CD GLU A 29 -15.989 -1.893 -6.520 1.00 0.00 C ATOM 467 OE1 GLU A 29 -15.604 -1.055 -5.674 1.00 0.00 O ATOM 468 OE2 GLU A 29 -15.818 -1.741 -7.749 1.00 0.00 O ATOM 0 H GLU A 29 -14.758 -5.518 -3.495 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.455 -4.909 -4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.475 -3.385 -4.290 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.949 -4.321 -5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -17.017 -3.735 -6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -17.604 -2.851 -5.492 1.00 0.00 H new ATOM 475 N ASN A 30 -15.974 -6.982 -6.129 1.00 0.00 N ATOM 476 CA ASN A 30 -16.203 -7.961 -7.186 1.00 0.00 C ATOM 477 C ASN A 30 -16.607 -9.303 -6.573 1.00 0.00 C ATOM 478 O ASN A 30 -16.065 -9.697 -5.543 1.00 0.00 O ATOM 479 CB ASN A 30 -14.937 -8.119 -8.039 1.00 0.00 C ATOM 480 CG ASN A 30 -15.083 -9.160 -9.135 1.00 0.00 C ATOM 481 OD1 ASN A 30 -14.750 -10.329 -8.941 1.00 0.00 O ATOM 482 ND2 ASN A 30 -15.590 -8.750 -10.287 1.00 0.00 N ATOM 0 H ASN A 30 -15.020 -6.973 -5.767 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.012 -7.613 -7.828 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.688 -7.158 -8.490 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.103 -8.394 -7.393 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -15.717 -9.412 -11.053 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.854 -7.772 -10.409 1.00 0.00 H new ATOM 489 N PRO A 31 -17.580 -10.007 -7.190 1.00 0.00 N ATOM 490 CA PRO A 31 -18.051 -11.326 -6.729 1.00 0.00 C ATOM 491 C PRO A 31 -16.905 -12.296 -6.435 1.00 0.00 C ATOM 492 O PRO A 31 -16.963 -13.070 -5.476 1.00 0.00 O ATOM 493 CB PRO A 31 -18.905 -11.836 -7.911 1.00 0.00 C ATOM 494 CG PRO A 31 -18.602 -10.899 -9.038 1.00 0.00 C ATOM 495 CD PRO A 31 -18.314 -9.582 -8.389 1.00 0.00 C ATOM 0 HA PRO A 31 -18.598 -11.252 -5.789 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.647 -12.863 -8.171 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -19.967 -11.827 -7.664 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.748 -11.246 -9.620 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -19.445 -10.823 -9.724 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -17.717 -8.931 -9.027 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -19.225 -9.037 -8.142 1.00 0.00 H new ATOM 503 N ALA A 32 -15.872 -12.254 -7.271 1.00 0.00 N ATOM 504 CA ALA A 32 -14.699 -13.098 -7.083 1.00 0.00 C ATOM 505 C ALA A 32 -13.675 -12.399 -6.197 1.00 0.00 C ATOM 506 O ALA A 32 -13.354 -12.884 -5.107 1.00 0.00 O ATOM 507 CB ALA A 32 -14.082 -13.464 -8.426 1.00 0.00 C ATOM 0 H ALA A 32 -15.824 -11.643 -8.086 1.00 0.00 H new ATOM 0 HA ALA A 32 -15.013 -14.017 -6.588 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.207 -14.094 -8.265 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.813 -14.005 -9.027 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.783 -12.555 -8.949 1.00 0.00 H new ATOM 513 N LEU A 33 -13.174 -11.251 -6.660 1.00 0.00 N ATOM 514 CA LEU A 33 -12.144 -10.527 -5.924 1.00 0.00 C ATOM 515 C LEU A 33 -11.802 -9.183 -6.579 1.00 0.00 C ATOM 516 O LEU A 33 -12.163 -8.122 -6.064 1.00 0.00 O ATOM 517 CB LEU A 33 -10.879 -11.394 -5.816 1.00 0.00 C ATOM 518 CG LEU A 33 -9.791 -10.865 -4.871 1.00 0.00 C ATOM 519 CD1 LEU A 33 -10.339 -10.681 -3.459 1.00 0.00 C ATOM 520 CD2 LEU A 33 -8.593 -11.808 -4.863 1.00 0.00 C ATOM 0 H LEU A 33 -13.464 -10.809 -7.533 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.536 -10.314 -4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.170 -12.390 -5.484 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.449 -11.503 -6.812 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.465 -9.891 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.549 -10.305 -2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.163 -9.968 -3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.697 -11.638 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.829 -11.420 -4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.909 -12.795 -4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.183 -11.884 -5.870 1.00 0.00 H new ATOM 532 N TRP A 34 -11.121 -9.236 -7.723 1.00 0.00 N ATOM 533 CA TRP A 34 -10.551 -8.039 -8.348 1.00 0.00 C ATOM 534 C TRP A 34 -11.596 -7.230 -9.109 1.00 0.00 C ATOM 535 O TRP A 34 -12.402 -7.783 -9.858 1.00 0.00 O ATOM 536 CB TRP A 34 -9.413 -8.428 -9.293 1.00 0.00 C ATOM 537 CG TRP A 34 -8.312 -9.175 -8.607 1.00 0.00 C ATOM 538 CD1 TRP A 34 -8.284 -10.506 -8.319 1.00 0.00 C ATOM 539 CD2 TRP A 34 -7.082 -8.633 -8.118 1.00 0.00 C ATOM 540 NE1 TRP A 34 -7.120 -10.826 -7.679 1.00 0.00 N ATOM 541 CE2 TRP A 34 -6.362 -9.694 -7.545 1.00 0.00 C ATOM 542 CE3 TRP A 34 -6.521 -7.354 -8.111 1.00 0.00 C ATOM 543 CZ2 TRP A 34 -5.110 -9.517 -6.969 1.00 0.00 C ATOM 544 CZ3 TRP A 34 -5.277 -7.180 -7.537 1.00 0.00 C ATOM 545 CH2 TRP A 34 -4.584 -8.256 -6.974 1.00 0.00 C ATOM 0 H TRP A 34 -10.949 -10.099 -8.239 1.00 0.00 H new ATOM 0 HA TRP A 34 -10.167 -7.410 -7.545 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -9.812 -9.042 -10.101 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -9.004 -7.527 -9.750 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -9.069 -11.207 -8.562 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -6.858 -11.757 -7.354 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.049 -6.518 -8.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.572 -10.346 -6.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -4.832 -6.196 -7.523 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -3.612 -8.087 -6.534 1.00 0.00 H new ATOM 556 N GLY A 35 -11.545 -5.915 -8.930 1.00 0.00 N ATOM 557 CA GLY A 35 -12.474 -5.018 -9.590 1.00 0.00 C ATOM 558 C GLY A 35 -12.448 -3.639 -8.966 1.00 0.00 C ATOM 559 O GLY A 35 -12.367 -2.625 -9.665 1.00 0.00 O ATOM 0 H GLY A 35 -10.865 -5.449 -8.329 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.222 -4.945 -10.648 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.482 -5.427 -9.530 1.00 0.00 H new ATOM 563 N GLY A 36 -12.479 -3.608 -7.639 1.00 0.00 N ATOM 564 CA GLY A 36 -12.505 -2.352 -6.913 1.00 0.00 C ATOM 565 C GLY A 36 -12.038 -2.508 -5.480 1.00 0.00 C ATOM 566 O GLY A 36 -11.040 -3.177 -5.217 1.00 0.00 O ATOM 0 H GLY A 36 -12.487 -4.439 -7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.871 -1.627 -7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.518 -1.951 -6.921 1.00 0.00 H new ATOM 570 N LYS A 37 -12.771 -1.911 -4.549 1.00 0.00 N ATOM 571 CA LYS A 37 -12.374 -1.909 -3.143 1.00 0.00 C ATOM 572 C LYS A 37 -12.743 -3.219 -2.443 1.00 0.00 C ATOM 573 O LYS A 37 -13.525 -4.024 -2.959 1.00 0.00 O ATOM 574 CB LYS A 37 -12.967 -0.690 -2.403 1.00 0.00 C ATOM 575 CG LYS A 37 -14.453 -0.415 -2.661 1.00 0.00 C ATOM 576 CD LYS A 37 -15.376 -1.462 -2.034 1.00 0.00 C ATOM 577 CE LYS A 37 -16.844 -1.055 -2.142 1.00 0.00 C ATOM 578 NZ LYS A 37 -17.295 -0.931 -3.555 1.00 0.00 N ATOM 0 H LYS A 37 -13.645 -1.421 -4.740 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.288 -1.827 -3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.823 -0.833 -1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.398 0.196 -2.686 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.708 0.568 -2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.629 -0.382 -3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.227 -2.422 -2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.112 -1.599 -0.985 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.462 -1.793 -1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.993 -0.104 -1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -17.574 0.053 -3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.518 -1.200 -4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.108 -1.559 -3.716 1.00 0.00 H new ATOM 592 N VAL A 38 -12.167 -3.415 -1.262 1.00 0.00 N ATOM 593 CA VAL A 38 -12.377 -4.620 -0.471 1.00 0.00 C ATOM 594 C VAL A 38 -12.328 -4.268 1.017 1.00 0.00 C ATOM 595 O VAL A 38 -11.917 -3.163 1.385 1.00 0.00 O ATOM 596 CB VAL A 38 -11.296 -5.691 -0.791 1.00 0.00 C ATOM 597 CG1 VAL A 38 -9.952 -5.321 -0.169 1.00 0.00 C ATOM 598 CG2 VAL A 38 -11.734 -7.080 -0.340 1.00 0.00 C ATOM 0 H VAL A 38 -11.539 -2.740 -0.826 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.354 -5.033 -0.722 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.174 -5.715 -1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.216 -6.088 -0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.619 -4.362 -0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.060 -5.248 0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.954 -7.803 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.906 -7.076 0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.655 -7.356 -0.854 1.00 0.00 H new ATOM 608 N THR A 39 -12.754 -5.194 1.864 1.00 0.00 N ATOM 609 CA THR A 39 -12.682 -5.023 3.306 1.00 0.00 C ATOM 610 C THR A 39 -12.330 -6.350 3.978 1.00 0.00 C ATOM 611 O THR A 39 -13.008 -7.363 3.772 1.00 0.00 O ATOM 612 CB THR A 39 -14.015 -4.483 3.874 1.00 0.00 C ATOM 613 OG1 THR A 39 -14.358 -3.255 3.213 1.00 0.00 O ATOM 614 CG2 THR A 39 -13.925 -4.241 5.380 1.00 0.00 C ATOM 0 H THR A 39 -13.158 -6.083 1.571 1.00 0.00 H new ATOM 0 HA THR A 39 -11.901 -4.293 3.518 1.00 0.00 H new ATOM 0 HB THR A 39 -14.785 -5.233 3.696 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.204 -2.915 3.573 1.00 0.00 H new ATOM 0 HG21 THR A 39 -14.879 -3.862 5.745 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.689 -5.177 5.886 1.00 0.00 H new ATOM 0 HG23 THR A 39 -13.142 -3.511 5.585 1.00 0.00 H new ATOM 622 N LEU A 40 -11.249 -6.340 4.752 1.00 0.00 N ATOM 623 CA LEU A 40 -10.830 -7.509 5.516 1.00 0.00 C ATOM 624 C LEU A 40 -11.769 -7.718 6.697 1.00 0.00 C ATOM 625 O LEU A 40 -12.444 -6.782 7.126 1.00 0.00 O ATOM 626 CB LEU A 40 -9.385 -7.345 6.023 1.00 0.00 C ATOM 627 CG LEU A 40 -8.281 -7.413 4.952 1.00 0.00 C ATOM 628 CD1 LEU A 40 -8.423 -8.683 4.115 1.00 0.00 C ATOM 629 CD2 LEU A 40 -8.283 -6.166 4.070 1.00 0.00 C ATOM 0 H LEU A 40 -10.643 -5.527 4.867 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.869 -8.379 4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.308 -6.386 6.535 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.192 -8.119 6.765 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.318 -7.448 5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.634 -8.714 3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.342 -9.556 4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.395 -8.687 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.492 -6.246 3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.246 -6.077 3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.112 -5.284 4.687 1.00 0.00 H new ATOM 641 N ALA A 41 -11.791 -8.933 7.240 1.00 0.00 N ATOM 642 CA ALA A 41 -12.668 -9.251 8.370 1.00 0.00 C ATOM 643 C ALA A 41 -12.321 -8.395 9.592 1.00 0.00 C ATOM 644 O ALA A 41 -13.113 -8.276 10.528 1.00 0.00 O ATOM 645 CB ALA A 41 -12.579 -10.736 8.707 1.00 0.00 C ATOM 0 H ALA A 41 -11.216 -9.712 6.920 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.694 -9.021 8.083 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.236 -10.958 9.548 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.886 -11.324 7.842 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.552 -10.988 8.972 1.00 0.00 H new ATOM 651 N ASN A 42 -11.132 -7.798 9.568 1.00 0.00 N ATOM 652 CA ASN A 42 -10.670 -6.928 10.649 1.00 0.00 C ATOM 653 C ASN A 42 -11.364 -5.566 10.590 1.00 0.00 C ATOM 654 O ASN A 42 -11.598 -4.932 11.621 1.00 0.00 O ATOM 655 CB ASN A 42 -9.146 -6.744 10.573 1.00 0.00 C ATOM 656 CG ASN A 42 -8.618 -5.776 11.626 1.00 0.00 C ATOM 657 OD1 ASN A 42 -8.554 -4.571 11.398 1.00 0.00 O ATOM 658 ND2 ASN A 42 -8.238 -6.299 12.781 1.00 0.00 N ATOM 0 H ASN A 42 -10.464 -7.902 8.804 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.924 -7.403 11.596 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.660 -7.712 10.699 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.877 -6.379 9.582 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.877 -5.696 13.520 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.307 -7.305 12.932 1.00 0.00 H new ATOM 665 N GLY A 43 -11.699 -5.128 9.374 1.00 0.00 N ATOM 666 CA GLY A 43 -12.334 -3.830 9.182 1.00 0.00 C ATOM 667 C GLY A 43 -11.594 -2.963 8.177 1.00 0.00 C ATOM 668 O GLY A 43 -12.164 -2.020 7.623 1.00 0.00 O ATOM 0 H GLY A 43 -11.541 -5.653 8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.360 -3.977 8.844 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.385 -3.309 10.138 1.00 0.00 H new ATOM 672 N TRP A 44 -10.320 -3.282 7.948 1.00 0.00 N ATOM 673 CA TRP A 44 -9.485 -2.534 7.006 1.00 0.00 C ATOM 674 C TRP A 44 -10.049 -2.593 5.586 1.00 0.00 C ATOM 675 O TRP A 44 -10.412 -3.666 5.095 1.00 0.00 O ATOM 676 CB TRP A 44 -8.046 -3.079 7.014 1.00 0.00 C ATOM 677 CG TRP A 44 -7.271 -2.744 8.258 1.00 0.00 C ATOM 678 CD1 TRP A 44 -7.778 -2.384 9.474 1.00 0.00 C ATOM 679 CD2 TRP A 44 -5.845 -2.736 8.402 1.00 0.00 C ATOM 680 NE1 TRP A 44 -6.756 -2.150 10.360 1.00 0.00 N ATOM 681 CE2 TRP A 44 -5.561 -2.362 9.728 1.00 0.00 C ATOM 682 CE3 TRP A 44 -4.781 -3.012 7.536 1.00 0.00 C ATOM 683 CZ2 TRP A 44 -4.259 -2.254 10.208 1.00 0.00 C ATOM 684 CZ3 TRP A 44 -3.490 -2.905 8.015 1.00 0.00 C ATOM 685 CH2 TRP A 44 -3.238 -2.531 9.340 1.00 0.00 C ATOM 0 H TRP A 44 -9.841 -4.058 8.405 1.00 0.00 H new ATOM 0 HA TRP A 44 -9.480 -1.493 7.329 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.078 -4.162 6.899 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.514 -2.683 6.149 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.829 -2.296 9.705 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -6.869 -1.864 11.333 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.966 -3.303 6.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.062 -1.962 11.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.660 -3.114 7.356 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.217 -2.460 9.684 1.00 0.00 H new ATOM 696 N GLN A 45 -10.119 -1.434 4.936 1.00 0.00 N ATOM 697 CA GLN A 45 -10.568 -1.335 3.551 1.00 0.00 C ATOM 698 C GLN A 45 -9.368 -1.098 2.633 1.00 0.00 C ATOM 699 O GLN A 45 -8.481 -0.305 2.953 1.00 0.00 O ATOM 700 CB GLN A 45 -11.585 -0.196 3.397 1.00 0.00 C ATOM 701 CG GLN A 45 -12.883 -0.418 4.168 1.00 0.00 C ATOM 702 CD GLN A 45 -13.847 0.749 4.040 1.00 0.00 C ATOM 703 OE1 GLN A 45 -13.829 1.677 4.849 1.00 0.00 O ATOM 704 NE2 GLN A 45 -14.692 0.718 3.022 1.00 0.00 N ATOM 0 H GLN A 45 -9.866 -0.539 5.354 1.00 0.00 H new ATOM 0 HA GLN A 45 -11.053 -2.270 3.271 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.128 0.734 3.734 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.819 -0.071 2.340 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.366 -1.325 3.805 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.652 -0.580 5.221 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -14.678 -0.067 2.371 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.357 1.480 2.888 1.00 0.00 H new ATOM 713 N LEU A 46 -9.350 -1.787 1.499 1.00 0.00 N ATOM 714 CA LEU A 46 -8.241 -1.700 0.548 1.00 0.00 C ATOM 715 C LEU A 46 -8.784 -1.549 -0.872 1.00 0.00 C ATOM 716 O LEU A 46 -9.795 -2.160 -1.219 1.00 0.00 O ATOM 717 CB LEU A 46 -7.368 -2.961 0.651 1.00 0.00 C ATOM 718 CG LEU A 46 -6.120 -2.985 -0.246 1.00 0.00 C ATOM 719 CD1 LEU A 46 -5.116 -1.924 0.194 1.00 0.00 C ATOM 720 CD2 LEU A 46 -5.483 -4.372 -0.244 1.00 0.00 C ATOM 0 H LEU A 46 -10.097 -2.419 1.211 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.632 -0.828 0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.050 -3.076 1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.984 -3.827 0.408 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.428 -2.754 -1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.241 -1.960 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.576 -0.938 0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.812 -2.115 1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.601 -4.368 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.192 -4.637 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.200 -5.102 -0.618 1.00 0.00 H new ATOM 732 N GLU A 47 -8.124 -0.728 -1.684 1.00 0.00 N ATOM 733 CA GLU A 47 -8.543 -0.505 -3.067 1.00 0.00 C ATOM 734 C GLU A 47 -7.739 -1.378 -4.032 1.00 0.00 C ATOM 735 O GLU A 47 -6.540 -1.156 -4.238 1.00 0.00 O ATOM 736 CB GLU A 47 -8.372 0.968 -3.457 1.00 0.00 C ATOM 737 CG GLU A 47 -8.878 1.279 -4.863 1.00 0.00 C ATOM 738 CD GLU A 47 -8.424 2.634 -5.377 1.00 0.00 C ATOM 739 OE1 GLU A 47 -7.343 2.703 -5.998 1.00 0.00 O ATOM 740 OE2 GLU A 47 -9.155 3.628 -5.184 1.00 0.00 O ATOM 0 H GLU A 47 -7.294 -0.204 -1.408 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.597 -0.776 -3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.905 1.592 -2.739 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.317 1.235 -3.390 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.531 0.504 -5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.967 1.243 -4.866 1.00 0.00 H new ATOM 747 N LEU A 48 -8.404 -2.367 -4.621 1.00 0.00 N ATOM 748 CA LEU A 48 -7.790 -3.229 -5.627 1.00 0.00 C ATOM 749 C LEU A 48 -8.062 -2.687 -7.029 1.00 0.00 C ATOM 750 O LEU A 48 -9.129 -2.126 -7.287 1.00 0.00 O ATOM 751 CB LEU A 48 -8.326 -4.670 -5.517 1.00 0.00 C ATOM 752 CG LEU A 48 -7.749 -5.517 -4.368 1.00 0.00 C ATOM 753 CD1 LEU A 48 -6.225 -5.565 -4.442 1.00 0.00 C ATOM 754 CD2 LEU A 48 -8.206 -4.988 -3.013 1.00 0.00 C ATOM 0 H LEU A 48 -9.377 -2.593 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.715 -3.241 -5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.409 -4.626 -5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.126 -5.184 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.129 -6.533 -4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.840 -6.169 -3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.921 -6.007 -5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.825 -4.554 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.784 -5.605 -2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.868 -3.959 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.294 -5.021 -2.958 1.00 0.00 H new ATOM 766 N PRO A 49 -7.091 -2.830 -7.950 1.00 0.00 N ATOM 767 CA PRO A 49 -7.285 -2.474 -9.357 1.00 0.00 C ATOM 768 C PRO A 49 -8.226 -3.461 -10.047 1.00 0.00 C ATOM 769 O PRO A 49 -8.402 -4.592 -9.581 1.00 0.00 O ATOM 770 CB PRO A 49 -5.867 -2.553 -9.964 1.00 0.00 C ATOM 771 CG PRO A 49 -4.937 -2.690 -8.797 1.00 0.00 C ATOM 772 CD PRO A 49 -5.736 -3.341 -7.704 1.00 0.00 C ATOM 0 HA PRO A 49 -7.740 -1.491 -9.479 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.776 -3.404 -10.639 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.639 -1.659 -10.545 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.069 -3.295 -9.059 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.563 -1.717 -8.480 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.696 -4.429 -7.765 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.371 -3.063 -6.715 1.00 0.00 H new ATOM 780 N ALA A 50 -8.827 -3.040 -11.152 1.00 0.00 N ATOM 781 CA ALA A 50 -9.728 -3.907 -11.903 1.00 0.00 C ATOM 782 C ALA A 50 -8.928 -4.917 -12.727 1.00 0.00 C ATOM 783 O ALA A 50 -8.802 -4.791 -13.946 1.00 0.00 O ATOM 784 CB ALA A 50 -10.666 -3.087 -12.780 1.00 0.00 C ATOM 0 H ALA A 50 -8.708 -2.107 -11.548 1.00 0.00 H new ATOM 0 HA ALA A 50 -10.346 -4.463 -11.198 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.328 -3.756 -13.330 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.261 -2.422 -12.154 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -10.081 -2.495 -13.484 1.00 0.00 H new ATOM 790 N MET A 51 -8.362 -5.897 -12.030 1.00 0.00 N ATOM 791 CA MET A 51 -7.554 -6.945 -12.651 1.00 0.00 C ATOM 792 C MET A 51 -8.411 -8.180 -12.919 1.00 0.00 C ATOM 793 O MET A 51 -9.641 -8.126 -12.815 1.00 0.00 O ATOM 794 CB MET A 51 -6.381 -7.312 -11.729 1.00 0.00 C ATOM 795 CG MET A 51 -5.401 -6.171 -11.475 1.00 0.00 C ATOM 796 SD MET A 51 -4.515 -5.672 -12.965 1.00 0.00 S ATOM 797 CE MET A 51 -3.426 -4.408 -12.311 1.00 0.00 C ATOM 0 H MET A 51 -8.450 -5.989 -11.018 1.00 0.00 H new ATOM 0 HA MET A 51 -7.163 -6.576 -13.599 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.779 -7.653 -10.773 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.839 -8.150 -12.166 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.943 -5.314 -11.075 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.682 -6.477 -10.715 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.621 -4.219 -13.021 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.990 -3.490 -12.149 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.003 -4.746 -11.365 1.00 0.00 H new ATOM 807 N ALA A 52 -7.761 -9.290 -13.267 1.00 0.00 N ATOM 808 CA ALA A 52 -8.458 -10.554 -13.468 1.00 0.00 C ATOM 809 C ALA A 52 -9.047 -11.029 -12.144 1.00 0.00 C ATOM 810 O ALA A 52 -8.303 -11.324 -11.204 1.00 0.00 O ATOM 811 CB ALA A 52 -7.513 -11.601 -14.048 1.00 0.00 C ATOM 0 H ALA A 52 -6.753 -9.337 -13.415 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.269 -10.405 -14.181 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.052 -12.538 -14.191 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.129 -11.253 -15.007 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.682 -11.761 -13.361 1.00 0.00 H new ATOM 817 N ALA A 53 -10.380 -11.091 -12.079 1.00 0.00 N ATOM 818 CA ALA A 53 -11.099 -11.422 -10.845 1.00 0.00 C ATOM 819 C ALA A 53 -10.522 -12.662 -10.176 1.00 0.00 C ATOM 820 O ALA A 53 -10.475 -12.753 -8.946 1.00 0.00 O ATOM 821 CB ALA A 53 -12.586 -11.597 -11.132 1.00 0.00 C ATOM 0 H ALA A 53 -10.990 -10.914 -12.877 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.974 -10.593 -10.149 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.109 -11.843 -10.207 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.989 -10.671 -11.542 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.725 -12.403 -11.852 1.00 0.00 H new ATOM 827 N ASP A 54 -10.085 -13.616 -10.984 1.00 0.00 N ATOM 828 CA ASP A 54 -9.314 -14.739 -10.478 1.00 0.00 C ATOM 829 C ASP A 54 -7.947 -14.766 -11.146 1.00 0.00 C ATOM 830 O ASP A 54 -7.760 -15.391 -12.192 1.00 0.00 O ATOM 831 CB ASP A 54 -10.038 -16.076 -10.684 1.00 0.00 C ATOM 832 CG ASP A 54 -9.274 -17.228 -10.047 1.00 0.00 C ATOM 833 OD1 ASP A 54 -9.253 -17.316 -8.800 1.00 0.00 O ATOM 834 OD2 ASP A 54 -8.670 -18.037 -10.780 1.00 0.00 O ATOM 0 H ASP A 54 -10.251 -13.634 -11.990 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.193 -14.603 -9.403 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.038 -16.019 -10.254 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.160 -16.264 -11.751 1.00 0.00 H new ATOM 839 N THR A 55 -7.013 -14.023 -10.566 1.00 0.00 N ATOM 840 CA THR A 55 -5.632 -14.024 -11.023 1.00 0.00 C ATOM 841 C THR A 55 -5.017 -15.407 -10.781 1.00 0.00 C ATOM 842 O THR A 55 -5.134 -15.945 -9.680 1.00 0.00 O ATOM 843 CB THR A 55 -4.818 -12.933 -10.286 1.00 0.00 C ATOM 844 OG1 THR A 55 -5.451 -11.655 -10.467 1.00 0.00 O ATOM 845 CG2 THR A 55 -3.379 -12.867 -10.794 1.00 0.00 C ATOM 0 H THR A 55 -7.191 -13.408 -9.772 1.00 0.00 H new ATOM 0 HA THR A 55 -5.607 -13.803 -12.090 1.00 0.00 H new ATOM 0 HB THR A 55 -4.791 -13.191 -9.227 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.374 -11.787 -10.770 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.838 -12.090 -10.254 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.892 -13.828 -10.632 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.379 -12.635 -11.859 1.00 0.00 H new ATOM 853 N PRO A 56 -4.379 -16.012 -11.808 1.00 0.00 N ATOM 854 CA PRO A 56 -3.832 -17.378 -11.725 1.00 0.00 C ATOM 855 C PRO A 56 -2.950 -17.601 -10.489 1.00 0.00 C ATOM 856 O PRO A 56 -2.949 -18.686 -9.905 1.00 0.00 O ATOM 857 CB PRO A 56 -3.007 -17.527 -13.023 1.00 0.00 C ATOM 858 CG PRO A 56 -2.912 -16.149 -13.598 1.00 0.00 C ATOM 859 CD PRO A 56 -4.146 -15.427 -13.139 1.00 0.00 C ATOM 0 HA PRO A 56 -4.627 -18.117 -11.627 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.018 -17.934 -12.814 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.492 -18.210 -13.720 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.011 -15.642 -13.252 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.861 -16.182 -14.686 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.990 -14.349 -13.087 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.988 -15.596 -13.810 1.00 0.00 H new ATOM 867 N LEU A 57 -2.226 -16.565 -10.078 1.00 0.00 N ATOM 868 CA LEU A 57 -1.288 -16.673 -8.960 1.00 0.00 C ATOM 869 C LEU A 57 -1.470 -15.517 -7.971 1.00 0.00 C ATOM 870 O LEU A 57 -2.033 -14.478 -8.323 1.00 0.00 O ATOM 871 CB LEU A 57 0.158 -16.731 -9.499 1.00 0.00 C ATOM 872 CG LEU A 57 0.538 -15.680 -10.569 1.00 0.00 C ATOM 873 CD1 LEU A 57 0.701 -14.286 -9.964 1.00 0.00 C ATOM 874 CD2 LEU A 57 1.811 -16.100 -11.299 1.00 0.00 C ATOM 0 H LEU A 57 -2.269 -15.638 -10.502 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.494 -17.594 -8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.841 -16.622 -8.656 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.326 -17.722 -9.920 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.281 -15.630 -11.287 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.968 -13.578 -10.748 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.237 -13.978 -9.501 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.488 -14.306 -9.210 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.065 -15.350 -12.048 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.628 -16.189 -10.583 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.650 -17.061 -11.787 1.00 0.00 H new ATOM 886 N PRO A 58 -1.018 -15.693 -6.709 1.00 0.00 N ATOM 887 CA PRO A 58 -1.048 -14.621 -5.706 1.00 0.00 C ATOM 888 C PRO A 58 -0.098 -13.484 -6.084 1.00 0.00 C ATOM 889 O PRO A 58 1.122 -13.618 -5.975 1.00 0.00 O ATOM 890 CB PRO A 58 -0.593 -15.320 -4.413 1.00 0.00 C ATOM 891 CG PRO A 58 0.194 -16.501 -4.877 1.00 0.00 C ATOM 892 CD PRO A 58 -0.447 -16.943 -6.164 1.00 0.00 C ATOM 0 HA PRO A 58 -2.031 -14.159 -5.612 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.014 -14.657 -3.797 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.446 -15.626 -3.807 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.240 -16.237 -5.032 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.173 -17.300 -4.136 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.281 -17.383 -6.845 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.217 -17.695 -5.992 1.00 0.00 H new ATOM 900 N ILE A 59 -0.662 -12.376 -6.546 1.00 0.00 N ATOM 901 CA ILE A 59 0.129 -11.262 -7.057 1.00 0.00 C ATOM 902 C ILE A 59 0.171 -10.108 -6.054 1.00 0.00 C ATOM 903 O ILE A 59 -0.794 -9.869 -5.319 1.00 0.00 O ATOM 904 CB ILE A 59 -0.435 -10.762 -8.417 1.00 0.00 C ATOM 905 CG1 ILE A 59 0.432 -9.621 -8.989 1.00 0.00 C ATOM 906 CG2 ILE A 59 -1.893 -10.317 -8.269 1.00 0.00 C ATOM 907 CD1 ILE A 59 -0.057 -9.086 -10.321 1.00 0.00 C ATOM 0 H ILE A 59 -1.670 -12.223 -6.578 1.00 0.00 H new ATOM 0 HA ILE A 59 1.146 -11.624 -7.209 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.403 -11.593 -9.122 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.460 -8.803 -8.269 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.455 -9.979 -9.106 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.267 -9.971 -9.232 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.497 -11.157 -7.925 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.954 -9.506 -7.544 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.604 -8.287 -10.657 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.059 -9.890 -11.057 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.068 -8.696 -10.207 1.00 0.00 H new ATOM 919 N THR A 60 1.307 -9.419 -6.012 1.00 0.00 N ATOM 920 CA THR A 60 1.463 -8.216 -5.209 1.00 0.00 C ATOM 921 C THR A 60 1.077 -6.991 -6.038 1.00 0.00 C ATOM 922 O THR A 60 1.506 -6.857 -7.189 1.00 0.00 O ATOM 923 CB THR A 60 2.919 -8.066 -4.710 1.00 0.00 C ATOM 924 OG1 THR A 60 3.284 -9.206 -3.914 1.00 0.00 O ATOM 925 CG2 THR A 60 3.097 -6.791 -3.891 1.00 0.00 C ATOM 0 H THR A 60 2.143 -9.680 -6.534 1.00 0.00 H new ATOM 0 HA THR A 60 0.809 -8.296 -4.341 1.00 0.00 H new ATOM 0 HB THR A 60 3.568 -8.004 -5.583 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.208 -9.105 -3.603 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.131 -6.716 -3.555 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.851 -5.926 -4.507 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.436 -6.820 -3.025 1.00 0.00 H new ATOM 933 N VAL A 61 0.268 -6.106 -5.463 1.00 0.00 N ATOM 934 CA VAL A 61 -0.209 -4.916 -6.170 1.00 0.00 C ATOM 935 C VAL A 61 -0.119 -3.677 -5.283 1.00 0.00 C ATOM 936 O VAL A 61 0.250 -3.769 -4.108 1.00 0.00 O ATOM 937 CB VAL A 61 -1.672 -5.091 -6.660 1.00 0.00 C ATOM 938 CG1 VAL A 61 -1.769 -6.205 -7.702 1.00 0.00 C ATOM 939 CG2 VAL A 61 -2.610 -5.363 -5.483 1.00 0.00 C ATOM 0 H VAL A 61 -0.074 -6.189 -4.505 1.00 0.00 H new ATOM 0 HA VAL A 61 0.437 -4.784 -7.038 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.983 -4.160 -7.133 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.804 -6.308 -8.029 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.140 -5.959 -8.558 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.432 -7.144 -7.263 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.629 -5.482 -5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.299 -6.275 -4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.571 -4.526 -4.786 1.00 0.00 H new ATOM 949 N GLU A 62 -0.458 -2.521 -5.855 1.00 0.00 N ATOM 950 CA GLU A 62 -0.425 -1.254 -5.130 1.00 0.00 C ATOM 951 C GLU A 62 -1.483 -1.237 -4.022 1.00 0.00 C ATOM 952 O GLU A 62 -2.676 -1.400 -4.284 1.00 0.00 O ATOM 953 CB GLU A 62 -0.652 -0.067 -6.086 1.00 0.00 C ATOM 954 CG GLU A 62 0.464 0.159 -7.108 1.00 0.00 C ATOM 955 CD GLU A 62 0.538 -0.925 -8.175 1.00 0.00 C ATOM 956 OE1 GLU A 62 -0.278 -0.894 -9.123 1.00 0.00 O ATOM 957 OE2 GLU A 62 1.420 -1.804 -8.083 1.00 0.00 O ATOM 0 H GLU A 62 -0.760 -2.438 -6.826 1.00 0.00 H new ATOM 0 HA GLU A 62 0.562 -1.155 -4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.589 -0.224 -6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.772 0.840 -5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.313 1.124 -7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.419 0.210 -6.586 1.00 0.00 H new ATOM 964 N ALA A 63 -1.035 -1.042 -2.786 1.00 0.00 N ATOM 965 CA ALA A 63 -1.924 -1.006 -1.627 1.00 0.00 C ATOM 966 C ALA A 63 -2.419 0.412 -1.344 1.00 0.00 C ATOM 967 O ALA A 63 -1.643 1.283 -0.946 1.00 0.00 O ATOM 968 CB ALA A 63 -1.216 -1.567 -0.399 1.00 0.00 C ATOM 0 H ALA A 63 -0.050 -0.905 -2.559 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.791 -1.626 -1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.890 -1.534 0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.921 -2.599 -0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.330 -0.970 -0.186 1.00 0.00 H new ATOM 974 N ARG A 64 -3.707 0.641 -1.576 1.00 0.00 N ATOM 975 CA ARG A 64 -4.359 1.895 -1.198 1.00 0.00 C ATOM 976 C ARG A 64 -5.381 1.617 -0.100 1.00 0.00 C ATOM 977 O ARG A 64 -6.472 1.117 -0.376 1.00 0.00 O ATOM 978 CB ARG A 64 -5.061 2.560 -2.402 1.00 0.00 C ATOM 979 CG ARG A 64 -4.120 3.142 -3.459 1.00 0.00 C ATOM 980 CD ARG A 64 -3.363 2.065 -4.226 1.00 0.00 C ATOM 981 NE ARG A 64 -4.272 1.078 -4.814 1.00 0.00 N ATOM 982 CZ ARG A 64 -4.372 0.832 -6.119 1.00 0.00 C ATOM 983 NH1 ARG A 64 -3.614 1.491 -6.990 1.00 0.00 N ATOM 984 NH2 ARG A 64 -5.233 -0.077 -6.550 1.00 0.00 N ATOM 0 H ARG A 64 -4.327 -0.031 -2.028 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.593 2.582 -0.839 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.707 1.823 -2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.706 3.358 -2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.696 3.745 -4.160 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.406 3.809 -2.976 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.770 2.529 -5.014 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.665 1.563 -3.556 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.868 0.544 -4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.949 2.191 -6.660 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.697 1.296 -7.988 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.815 -0.584 -5.884 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.314 -0.270 -7.548 1.00 0.00 H new ATOM 998 N LYS A 65 -5.016 1.904 1.145 1.00 0.00 N ATOM 999 CA LYS A 65 -5.903 1.658 2.276 1.00 0.00 C ATOM 1000 C LYS A 65 -6.890 2.812 2.428 1.00 0.00 C ATOM 1001 O LYS A 65 -6.487 3.959 2.641 1.00 0.00 O ATOM 1002 CB LYS A 65 -5.099 1.473 3.572 1.00 0.00 C ATOM 1003 CG LYS A 65 -5.968 1.174 4.794 1.00 0.00 C ATOM 1004 CD LYS A 65 -5.135 1.012 6.062 1.00 0.00 C ATOM 1005 CE LYS A 65 -6.012 0.775 7.287 1.00 0.00 C ATOM 1006 NZ LYS A 65 -6.937 1.912 7.541 1.00 0.00 N ATOM 0 H LYS A 65 -4.113 2.307 1.396 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.457 0.739 2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.387 0.659 3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.518 2.376 3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.687 1.981 4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.541 0.263 4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.446 0.176 5.940 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.529 1.905 6.216 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.590 -0.138 7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.379 0.621 8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.326 1.835 8.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.418 2.809 7.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.714 1.888 6.850 1.00 0.00 H new ATOM 1020 N LEU A 66 -8.175 2.499 2.314 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.232 3.502 2.397 1.00 0.00 C ATOM 1022 C LEU A 66 -9.574 3.788 3.863 1.00 0.00 C ATOM 1023 O LEU A 66 -10.381 3.035 4.447 1.00 0.00 O ATOM 1024 CB LEU A 66 -10.479 3.014 1.635 1.00 0.00 C ATOM 1025 CG LEU A 66 -10.250 2.641 0.158 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -11.546 2.140 -0.478 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -9.690 3.829 -0.621 1.00 0.00 C ATOM 1028 OXT LEU A 66 -9.024 4.751 4.432 1.00 0.00 O ATOM 0 H LEU A 66 -8.513 1.549 2.162 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.883 4.427 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.882 2.144 2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.240 3.793 1.681 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.517 1.835 0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.363 1.882 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.897 1.258 0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.303 2.922 -0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.536 3.542 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.394 4.660 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.739 4.135 -0.185 1.00 0.00 H new TER 1040 LEU A 66