USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 750 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 65 LYS NZ :NH3+ -148:sc= 0.397 (180deg=-1.26!) USER MOD Set 1.2: A 72 MET CE :methyl 169:sc= -1.95 (180deg=-1.38) USER MOD Set 1.3: A 89 MET CE :methyl -178:sc= -2.52 (180deg=-2.1) USER MOD Set 2.1: A 36 LYS NZ :NH3+ -108:sc= 1.94 (180deg=-0.397) USER MOD Set 2.2: A 37 TYR OH : rot 180:sc= -0.0278 USER MOD Set 2.3: A 75 MET CE :methyl 168:sc= -2.07 (180deg=-1.98) USER MOD Set 3.1: A 26 SER OG : rot 180:sc= 0.119 USER MOD Set 3.2: A 29 THR OG1 : rot 87:sc= 0.119 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 171:sc= -0.597 (180deg=-0.776) USER MOD Single : A 14 THR OG1 : rot 100:sc= -0.13 USER MOD Single : A 15 SER OG : rot 17:sc= 1.84 USER MOD Single : A 17 LYS NZ :NH3+ 164:sc= 1.26 (180deg=1.05) USER MOD Single : A 20 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.3!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.756 USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= 0.425 (180deg=0.294) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0646 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.446 F(o=-3.2,f=-0.45) USER MOD Single : A 88 GLN : amide:sc= 0.949 K(o=0.95,f=-4.9!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N TYR A 3 -11.475 14.802 3.302 1.00 0.00 N ATOM 30 CA TYR A 3 -11.306 14.231 1.968 1.00 0.00 C ATOM 31 C TYR A 3 -12.191 14.902 0.917 1.00 0.00 C ATOM 32 O TYR A 3 -12.476 14.309 -0.123 1.00 0.00 O ATOM 33 CB TYR A 3 -11.529 12.718 2.025 1.00 0.00 C ATOM 34 CG TYR A 3 -10.681 12.031 3.070 1.00 0.00 C ATOM 35 CD1 TYR A 3 -11.116 12.012 4.403 1.00 0.00 C ATOM 36 CD2 TYR A 3 -9.470 11.424 2.714 1.00 0.00 C ATOM 37 CE1 TYR A 3 -10.346 11.368 5.381 1.00 0.00 C ATOM 38 CE2 TYR A 3 -8.692 10.774 3.684 1.00 0.00 C ATOM 39 CZ TYR A 3 -9.132 10.746 5.023 1.00 0.00 C ATOM 40 OH TYR A 3 -8.387 10.118 5.975 1.00 0.00 O ATOM 0 HA TYR A 3 -10.282 14.425 1.648 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -12.581 12.520 2.232 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -11.310 12.288 1.048 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -12.044 12.493 4.676 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -9.134 11.456 1.688 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -10.682 11.348 6.407 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -7.763 10.299 3.407 1.00 0.00 H new ATOM 0 HH TYR A 3 -7.582 9.740 5.564 1.00 0.00 H new ATOM 50 N GLY A 4 -12.624 16.140 1.179 1.00 0.00 N ATOM 51 CA GLY A 4 -13.476 16.900 0.294 1.00 0.00 C ATOM 52 C GLY A 4 -12.625 17.557 -0.780 1.00 0.00 C ATOM 53 O GLY A 4 -12.280 18.736 -0.696 1.00 0.00 O ATOM 0 H GLY A 4 -12.380 16.641 2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.219 16.247 -0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.021 17.658 0.857 1.00 0.00 H new ATOM 57 N ARG A 5 -12.298 16.747 -1.788 1.00 0.00 N ATOM 58 CA ARG A 5 -11.596 17.128 -3.007 1.00 0.00 C ATOM 59 C ARG A 5 -10.373 18.027 -2.778 1.00 0.00 C ATOM 60 O ARG A 5 -10.224 19.023 -3.479 1.00 0.00 O ATOM 61 CB ARG A 5 -12.574 17.703 -4.034 1.00 0.00 C ATOM 62 CG ARG A 5 -13.417 18.819 -3.432 1.00 0.00 C ATOM 63 CD ARG A 5 -14.412 19.298 -4.469 1.00 0.00 C ATOM 64 NE ARG A 5 -13.801 20.221 -5.435 1.00 0.00 N ATOM 65 CZ ARG A 5 -14.500 21.074 -6.188 1.00 0.00 C ATOM 66 NH1 ARG A 5 -15.826 21.131 -6.095 1.00 0.00 N ATOM 67 NH2 ARG A 5 -13.871 21.873 -7.044 1.00 0.00 N ATOM 0 H ARG A 5 -12.530 15.754 -1.771 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.172 16.212 -3.419 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.021 18.085 -4.892 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.226 16.910 -4.402 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.940 18.460 -2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.779 19.643 -3.113 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -14.824 18.439 -4.999 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.244 19.794 -3.970 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.786 20.210 -5.536 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -16.318 20.519 -5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -16.350 21.786 -6.675 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -12.855 21.834 -7.125 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.404 22.525 -7.619 1.00 0.00 H new ATOM 81 N PRO A 6 -9.496 17.705 -1.816 1.00 0.00 N ATOM 82 CA PRO A 6 -8.305 18.494 -1.562 1.00 0.00 C ATOM 83 C PRO A 6 -7.309 18.317 -2.713 1.00 0.00 C ATOM 84 O PRO A 6 -7.332 17.288 -3.390 1.00 0.00 O ATOM 85 CB PRO A 6 -7.747 17.945 -0.246 1.00 0.00 C ATOM 86 CG PRO A 6 -8.183 16.481 -0.270 1.00 0.00 C ATOM 87 CD PRO A 6 -9.561 16.562 -0.927 1.00 0.00 C ATOM 0 HA PRO A 6 -8.508 19.563 -1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.662 18.042 -0.196 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.154 18.473 0.616 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.495 15.861 -0.844 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.235 16.056 0.732 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.789 15.649 -1.477 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.345 16.689 -0.181 1.00 0.00 H new ATOM 95 N PRO A 7 -6.432 19.302 -2.946 1.00 0.00 N ATOM 96 CA PRO A 7 -5.436 19.262 -4.004 1.00 0.00 C ATOM 97 C PRO A 7 -4.311 18.291 -3.647 1.00 0.00 C ATOM 98 O PRO A 7 -3.603 18.498 -2.660 1.00 0.00 O ATOM 99 CB PRO A 7 -4.919 20.698 -4.113 1.00 0.00 C ATOM 100 CG PRO A 7 -5.091 21.247 -2.694 1.00 0.00 C ATOM 101 CD PRO A 7 -6.359 20.547 -2.206 1.00 0.00 C ATOM 0 HA PRO A 7 -5.849 18.911 -4.950 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.877 20.727 -4.431 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.490 21.276 -4.839 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.233 21.013 -2.064 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.202 22.331 -2.691 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.315 20.362 -1.133 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.240 21.162 -2.388 1.00 0.00 H new ATOM 109 N PRO A 8 -4.139 17.227 -4.443 1.00 0.00 N ATOM 110 CA PRO A 8 -3.091 16.242 -4.264 1.00 0.00 C ATOM 111 C PRO A 8 -1.776 16.748 -4.865 1.00 0.00 C ATOM 112 O PRO A 8 -1.660 17.915 -5.242 1.00 0.00 O ATOM 113 CB PRO A 8 -3.602 15.021 -5.023 1.00 0.00 C ATOM 114 CG PRO A 8 -4.325 15.651 -6.208 1.00 0.00 C ATOM 115 CD PRO A 8 -4.966 16.890 -5.586 1.00 0.00 C ATOM 0 HA PRO A 8 -2.885 16.025 -3.216 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.787 14.371 -5.343 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.272 14.415 -4.414 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.636 15.911 -7.012 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.070 14.978 -6.632 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.001 17.713 -6.300 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.993 16.688 -5.281 1.00 0.00 H new ATOM 123 N ASP A 9 -0.784 15.861 -4.955 1.00 0.00 N ATOM 124 CA ASP A 9 0.518 16.149 -5.537 1.00 0.00 C ATOM 125 C ASP A 9 0.906 15.067 -6.553 1.00 0.00 C ATOM 126 O ASP A 9 2.079 14.903 -6.881 1.00 0.00 O ATOM 127 CB ASP A 9 1.568 16.290 -4.429 1.00 0.00 C ATOM 128 CG ASP A 9 1.881 14.962 -3.740 1.00 0.00 C ATOM 129 OD1 ASP A 9 0.923 14.207 -3.455 1.00 0.00 O ATOM 130 OD2 ASP A 9 3.084 14.713 -3.503 1.00 0.00 O ATOM 0 H ASP A 9 -0.870 14.903 -4.616 1.00 0.00 H new ATOM 0 HA ASP A 9 0.468 17.096 -6.075 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.485 16.699 -4.853 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.213 17.005 -3.687 1.00 0.00 H new ATOM 135 N VAL A 10 -0.101 14.333 -7.048 1.00 0.00 N ATOM 136 CA VAL A 10 0.040 13.241 -8.009 1.00 0.00 C ATOM 137 C VAL A 10 0.720 13.690 -9.304 1.00 0.00 C ATOM 138 O VAL A 10 1.103 12.856 -10.124 1.00 0.00 O ATOM 139 CB VAL A 10 -1.344 12.666 -8.337 1.00 0.00 C ATOM 140 CG1 VAL A 10 -1.953 12.013 -7.098 1.00 0.00 C ATOM 141 CG2 VAL A 10 -2.297 13.752 -8.842 1.00 0.00 C ATOM 0 H VAL A 10 -1.071 14.494 -6.777 1.00 0.00 H new ATOM 0 HA VAL A 10 0.672 12.481 -7.550 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.209 11.923 -9.123 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.935 11.609 -7.345 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.305 11.206 -6.756 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.055 12.757 -6.308 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.268 13.309 -9.065 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.415 14.518 -8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.888 14.203 -9.746 1.00 0.00 H new ATOM 151 N GLU A 11 0.864 15.003 -9.500 1.00 0.00 N ATOM 152 CA GLU A 11 1.494 15.580 -10.675 1.00 0.00 C ATOM 153 C GLU A 11 2.997 15.290 -10.740 1.00 0.00 C ATOM 154 O GLU A 11 3.661 15.732 -11.678 1.00 0.00 O ATOM 155 CB GLU A 11 1.233 17.088 -10.679 1.00 0.00 C ATOM 156 CG GLU A 11 1.804 17.753 -9.423 1.00 0.00 C ATOM 157 CD GLU A 11 1.556 19.257 -9.457 1.00 0.00 C ATOM 158 OE1 GLU A 11 0.471 19.674 -8.990 1.00 0.00 O ATOM 159 OE2 GLU A 11 2.449 19.984 -9.949 1.00 0.00 O ATOM 0 H GLU A 11 0.538 15.701 -8.831 1.00 0.00 H new ATOM 0 HA GLU A 11 1.057 15.118 -11.560 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.682 17.535 -11.566 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.160 17.274 -10.736 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.343 17.322 -8.534 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.874 17.556 -9.354 1.00 0.00 H new ATOM 166 N GLY A 12 3.549 14.559 -9.760 1.00 0.00 N ATOM 167 CA GLY A 12 4.983 14.301 -9.725 1.00 0.00 C ATOM 168 C GLY A 12 5.400 13.254 -8.693 1.00 0.00 C ATOM 169 O GLY A 12 6.508 13.340 -8.169 1.00 0.00 O ATOM 0 H GLY A 12 3.024 14.143 -8.991 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.307 13.972 -10.712 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.505 15.234 -9.512 1.00 0.00 H new ATOM 173 N MET A 13 4.546 12.269 -8.389 1.00 0.00 N ATOM 174 CA MET A 13 4.910 11.234 -7.425 1.00 0.00 C ATOM 175 C MET A 13 4.412 9.849 -7.840 1.00 0.00 C ATOM 176 O MET A 13 3.590 9.710 -8.745 1.00 0.00 O ATOM 177 CB MET A 13 4.483 11.651 -6.015 1.00 0.00 C ATOM 178 CG MET A 13 2.984 11.889 -5.847 1.00 0.00 C ATOM 179 SD MET A 13 1.971 10.395 -5.762 1.00 0.00 S ATOM 180 CE MET A 13 0.584 11.047 -4.802 1.00 0.00 C ATOM 0 H MET A 13 3.614 12.170 -8.791 1.00 0.00 H new ATOM 0 HA MET A 13 5.996 11.138 -7.412 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.796 10.879 -5.312 1.00 0.00 H new ATOM 0 HB3 MET A 13 5.015 12.563 -5.744 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.824 12.469 -4.938 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.634 12.499 -6.680 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.222 10.313 -4.782 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.912 11.254 -3.783 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.225 11.968 -5.261 1.00 0.00 H new ATOM 190 N THR A 14 4.931 8.823 -7.157 1.00 0.00 N ATOM 191 CA THR A 14 4.805 7.412 -7.528 1.00 0.00 C ATOM 192 C THR A 14 3.376 6.870 -7.624 1.00 0.00 C ATOM 193 O THR A 14 3.140 5.925 -8.375 1.00 0.00 O ATOM 194 CB THR A 14 5.649 6.592 -6.548 1.00 0.00 C ATOM 195 OG1 THR A 14 7.007 6.860 -6.814 1.00 0.00 O ATOM 196 CG2 THR A 14 5.426 5.091 -6.691 1.00 0.00 C ATOM 0 H THR A 14 5.469 8.958 -6.301 1.00 0.00 H new ATOM 0 HA THR A 14 5.170 7.321 -8.551 1.00 0.00 H new ATOM 0 HB THR A 14 5.357 6.876 -5.537 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.345 7.512 -6.165 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.050 4.560 -5.972 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.378 4.859 -6.503 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.691 4.778 -7.701 1.00 0.00 H new ATOM 203 N SER A 15 2.419 7.444 -6.890 1.00 0.00 N ATOM 204 CA SER A 15 1.031 6.993 -6.889 1.00 0.00 C ATOM 205 C SER A 15 0.887 5.469 -6.839 1.00 0.00 C ATOM 206 O SER A 15 0.312 4.875 -7.747 1.00 0.00 O ATOM 207 CB SER A 15 0.272 7.571 -8.082 1.00 0.00 C ATOM 208 OG SER A 15 0.120 8.969 -7.927 1.00 0.00 O ATOM 0 H SER A 15 2.590 8.240 -6.276 1.00 0.00 H new ATOM 0 HA SER A 15 0.588 7.371 -5.968 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.810 7.355 -9.005 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.706 7.097 -8.165 1.00 0.00 H new ATOM 0 HG SER A 15 0.748 9.293 -7.248 1.00 0.00 H new ATOM 214 N LEU A 16 1.406 4.818 -5.788 1.00 0.00 N ATOM 215 CA LEU A 16 1.144 3.391 -5.592 1.00 0.00 C ATOM 216 C LEU A 16 -0.348 3.224 -5.318 1.00 0.00 C ATOM 217 O LEU A 16 -1.026 4.216 -5.055 1.00 0.00 O ATOM 218 CB LEU A 16 1.905 2.889 -4.359 1.00 0.00 C ATOM 219 CG LEU A 16 1.904 1.362 -4.177 1.00 0.00 C ATOM 220 CD1 LEU A 16 2.805 0.672 -5.196 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.400 1.028 -2.775 1.00 0.00 C ATOM 0 H LEU A 16 1.997 5.248 -5.076 1.00 0.00 H new ATOM 0 HA LEU A 16 1.458 2.833 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.938 3.232 -4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.471 3.347 -3.470 1.00 0.00 H new ATOM 0 HG LEU A 16 0.885 1.005 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.778 -0.406 -5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.454 0.897 -6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.828 1.030 -5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.402 -0.053 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.412 1.412 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.741 1.486 -2.037 1.00 0.00 H new ATOM 233 N LYS A 17 -0.865 1.992 -5.363 1.00 0.00 N ATOM 234 CA LYS A 17 -2.209 1.721 -4.877 1.00 0.00 C ATOM 235 C LYS A 17 -2.280 0.444 -4.045 1.00 0.00 C ATOM 236 O LYS A 17 -1.432 -0.438 -4.178 1.00 0.00 O ATOM 237 CB LYS A 17 -3.221 1.690 -6.021 1.00 0.00 C ATOM 238 CG LYS A 17 -3.047 0.468 -6.927 1.00 0.00 C ATOM 239 CD LYS A 17 -4.406 0.055 -7.483 1.00 0.00 C ATOM 240 CE LYS A 17 -4.292 -1.294 -8.197 1.00 0.00 C ATOM 241 NZ LYS A 17 -5.619 -1.901 -8.395 1.00 0.00 N ATOM 0 H LYS A 17 -0.373 1.177 -5.729 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.473 2.546 -4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.230 1.692 -5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.119 2.597 -6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.363 0.700 -7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.605 -0.355 -6.366 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.134 -0.013 -6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.770 0.813 -8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.803 -1.159 -9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.664 -1.967 -7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.551 -2.660 -9.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.958 -2.296 -7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.286 -1.176 -8.728 1.00 0.00 H new ATOM 255 N VAL A 18 -3.301 0.354 -3.190 1.00 0.00 N ATOM 256 CA VAL A 18 -3.580 -0.846 -2.393 1.00 0.00 C ATOM 257 C VAL A 18 -5.055 -1.207 -2.527 1.00 0.00 C ATOM 258 O VAL A 18 -5.891 -0.311 -2.658 1.00 0.00 O ATOM 259 CB VAL A 18 -3.293 -0.597 -0.906 1.00 0.00 C ATOM 260 CG1 VAL A 18 -3.702 -1.811 -0.072 1.00 0.00 C ATOM 261 CG2 VAL A 18 -1.821 -0.274 -0.658 1.00 0.00 C ATOM 0 H VAL A 18 -3.962 1.114 -3.029 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.941 -1.650 -2.758 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.884 0.267 -0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.492 -1.617 0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.768 -1.998 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.138 -2.684 -0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.660 -0.104 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.204 -1.109 -0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.547 0.623 -1.214 1.00 0.00 H new ATOM 271 N ASP A 19 -5.353 -2.511 -2.489 1.00 0.00 N ATOM 272 CA ASP A 19 -6.704 -3.057 -2.555 1.00 0.00 C ATOM 273 C ASP A 19 -6.804 -4.339 -1.714 1.00 0.00 C ATOM 274 O ASP A 19 -5.843 -4.710 -1.041 1.00 0.00 O ATOM 275 CB ASP A 19 -7.032 -3.411 -4.010 1.00 0.00 C ATOM 276 CG ASP A 19 -6.823 -2.239 -4.963 1.00 0.00 C ATOM 277 OD1 ASP A 19 -7.633 -1.289 -4.907 1.00 0.00 O ATOM 278 OD2 ASP A 19 -5.848 -2.311 -5.743 1.00 0.00 O ATOM 0 H ASP A 19 -4.636 -3.232 -2.409 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.401 -2.312 -2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.407 -4.247 -4.326 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.068 -3.745 -4.074 1.00 0.00 H new ATOM 283 N ASN A 20 -7.966 -5.004 -1.763 1.00 0.00 N ATOM 284 CA ASN A 20 -8.200 -6.349 -1.232 1.00 0.00 C ATOM 285 C ASN A 20 -8.734 -6.357 0.201 1.00 0.00 C ATOM 286 O ASN A 20 -8.551 -7.340 0.918 1.00 0.00 O ATOM 287 CB ASN A 20 -6.936 -7.206 -1.355 1.00 0.00 C ATOM 288 CG ASN A 20 -7.238 -8.647 -1.711 1.00 0.00 C ATOM 289 OD1 ASN A 20 -8.260 -8.959 -2.314 1.00 0.00 O ATOM 290 ND2 ASN A 20 -6.337 -9.545 -1.338 1.00 0.00 N ATOM 0 H ASN A 20 -8.800 -4.602 -2.191 1.00 0.00 H new ATOM 0 HA ASN A 20 -8.988 -6.787 -1.845 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.284 -6.777 -2.116 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.389 -7.176 -0.413 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.482 -10.532 -1.551 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.499 -9.249 -0.838 1.00 0.00 H new ATOM 297 N LEU A 21 -9.388 -5.274 0.622 1.00 0.00 N ATOM 298 CA LEU A 21 -9.915 -5.133 1.966 1.00 0.00 C ATOM 299 C LEU A 21 -10.873 -6.278 2.255 1.00 0.00 C ATOM 300 O LEU A 21 -11.777 -6.558 1.465 1.00 0.00 O ATOM 301 CB LEU A 21 -10.665 -3.807 2.097 1.00 0.00 C ATOM 302 CG LEU A 21 -9.790 -2.546 2.109 1.00 0.00 C ATOM 303 CD1 LEU A 21 -9.386 -2.216 3.538 1.00 0.00 C ATOM 304 CD2 LEU A 21 -8.516 -2.655 1.265 1.00 0.00 C ATOM 0 H LEU A 21 -9.565 -4.465 0.027 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.089 -5.152 2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.373 -3.728 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.249 -3.830 3.017 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.403 -1.761 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.765 -1.320 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.279 -2.041 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.824 -3.050 3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.956 -1.722 1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.901 -3.473 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.783 -2.847 0.226 1.00 0.00 H new ATOM 316 N THR A 22 -10.676 -6.941 3.390 1.00 0.00 N ATOM 317 CA THR A 22 -11.571 -7.995 3.830 1.00 0.00 C ATOM 318 C THR A 22 -12.778 -7.357 4.528 1.00 0.00 C ATOM 319 O THR A 22 -12.785 -6.152 4.784 1.00 0.00 O ATOM 320 CB THR A 22 -10.789 -8.937 4.748 1.00 0.00 C ATOM 321 OG1 THR A 22 -9.575 -9.281 4.119 1.00 0.00 O ATOM 322 CG2 THR A 22 -11.550 -10.226 5.031 1.00 0.00 C ATOM 0 H THR A 22 -9.897 -6.762 4.023 1.00 0.00 H new ATOM 0 HA THR A 22 -11.950 -8.581 2.993 1.00 0.00 H new ATOM 0 HB THR A 22 -10.625 -8.417 5.692 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.065 -9.883 4.700 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.956 -10.863 5.686 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.498 -9.990 5.516 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.742 -10.748 4.094 1.00 0.00 H new ATOM 329 N TYR A 23 -13.805 -8.157 4.840 1.00 0.00 N ATOM 330 CA TYR A 23 -15.034 -7.701 5.486 1.00 0.00 C ATOM 331 C TYR A 23 -14.809 -7.155 6.903 1.00 0.00 C ATOM 332 O TYR A 23 -15.772 -6.893 7.624 1.00 0.00 O ATOM 333 CB TYR A 23 -16.025 -8.866 5.519 1.00 0.00 C ATOM 334 CG TYR A 23 -15.586 -10.019 6.393 1.00 0.00 C ATOM 335 CD1 TYR A 23 -14.796 -11.044 5.853 1.00 0.00 C ATOM 336 CD2 TYR A 23 -15.966 -10.066 7.743 1.00 0.00 C ATOM 337 CE1 TYR A 23 -14.376 -12.112 6.660 1.00 0.00 C ATOM 338 CE2 TYR A 23 -15.546 -11.127 8.557 1.00 0.00 C ATOM 339 CZ TYR A 23 -14.750 -12.154 8.017 1.00 0.00 C ATOM 340 OH TYR A 23 -14.337 -13.188 8.806 1.00 0.00 O ATOM 0 H TYR A 23 -13.801 -9.158 4.645 1.00 0.00 H new ATOM 0 HA TYR A 23 -15.428 -6.868 4.903 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -16.989 -8.500 5.874 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -16.177 -9.230 4.503 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -14.510 -11.011 4.812 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -16.584 -9.282 8.156 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -13.767 -12.900 6.242 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -15.833 -11.156 9.598 1.00 0.00 H new ATOM 0 HH TYR A 23 -14.681 -13.064 9.715 1.00 0.00 H new ATOM 350 N ARG A 24 -13.548 -6.987 7.313 1.00 0.00 N ATOM 351 CA ARG A 24 -13.162 -6.599 8.662 1.00 0.00 C ATOM 352 C ARG A 24 -12.094 -5.504 8.659 1.00 0.00 C ATOM 353 O ARG A 24 -11.404 -5.311 9.657 1.00 0.00 O ATOM 354 CB ARG A 24 -12.677 -7.856 9.390 1.00 0.00 C ATOM 355 CG ARG A 24 -11.455 -8.451 8.678 1.00 0.00 C ATOM 356 CD ARG A 24 -11.249 -9.879 9.167 1.00 0.00 C ATOM 357 NE ARG A 24 -10.158 -10.540 8.444 1.00 0.00 N ATOM 358 CZ ARG A 24 -10.210 -11.793 7.982 1.00 0.00 C ATOM 359 NH1 ARG A 24 -11.279 -12.556 8.180 1.00 0.00 N ATOM 360 NH2 ARG A 24 -9.190 -12.310 7.310 1.00 0.00 N ATOM 0 H ARG A 24 -12.749 -7.122 6.693 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.021 -6.174 9.181 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.421 -7.611 10.421 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.478 -8.594 9.428 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.605 -8.440 7.598 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.569 -7.850 8.883 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.028 -9.871 10.234 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.170 -10.446 9.036 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.303 -10.008 8.283 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.080 -12.188 8.693 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.299 -13.510 7.819 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.354 -11.750 7.141 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.241 -13.268 6.962 1.00 0.00 H new ATOM 374 N THR A 25 -11.963 -4.796 7.533 1.00 0.00 N ATOM 375 CA THR A 25 -10.961 -3.751 7.363 1.00 0.00 C ATOM 376 C THR A 25 -11.619 -2.450 6.896 1.00 0.00 C ATOM 377 O THR A 25 -12.766 -2.451 6.451 1.00 0.00 O ATOM 378 CB THR A 25 -9.885 -4.228 6.376 1.00 0.00 C ATOM 379 OG1 THR A 25 -9.596 -5.588 6.608 1.00 0.00 O ATOM 380 CG2 THR A 25 -8.589 -3.447 6.574 1.00 0.00 C ATOM 0 H THR A 25 -12.554 -4.936 6.713 1.00 0.00 H new ATOM 0 HA THR A 25 -10.481 -3.546 8.320 1.00 0.00 H new ATOM 0 HB THR A 25 -10.266 -4.074 5.366 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.911 -5.889 5.976 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.840 -3.800 5.865 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.775 -2.386 6.407 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.226 -3.597 7.591 1.00 0.00 H new ATOM 387 N SER A 26 -10.891 -1.333 6.995 1.00 0.00 N ATOM 388 CA SER A 26 -11.408 0.002 6.701 1.00 0.00 C ATOM 389 C SER A 26 -10.286 0.906 6.184 1.00 0.00 C ATOM 390 O SER A 26 -9.116 0.556 6.334 1.00 0.00 O ATOM 391 CB SER A 26 -12.001 0.564 7.999 1.00 0.00 C ATOM 392 OG SER A 26 -10.970 0.814 8.930 1.00 0.00 O ATOM 0 H SER A 26 -9.913 -1.334 7.286 1.00 0.00 H new ATOM 0 HA SER A 26 -12.173 -0.046 5.926 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.546 1.485 7.791 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.717 -0.143 8.418 1.00 0.00 H new ATOM 0 HG SER A 26 -11.355 1.174 9.756 1.00 0.00 H new ATOM 398 N PRO A 27 -10.606 2.060 5.582 1.00 0.00 N ATOM 399 CA PRO A 27 -9.612 2.974 5.041 1.00 0.00 C ATOM 400 C PRO A 27 -8.810 3.640 6.156 1.00 0.00 C ATOM 401 O PRO A 27 -7.658 4.001 5.935 1.00 0.00 O ATOM 402 CB PRO A 27 -10.403 3.998 4.229 1.00 0.00 C ATOM 403 CG PRO A 27 -11.782 4.005 4.882 1.00 0.00 C ATOM 404 CD PRO A 27 -11.954 2.568 5.365 1.00 0.00 C ATOM 0 HA PRO A 27 -8.880 2.456 4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.938 4.983 4.268 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.461 3.715 3.178 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.832 4.715 5.708 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.561 4.286 4.173 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.539 2.531 6.284 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.484 1.968 4.626 1.00 0.00 H new ATOM 412 N ASP A 28 -9.399 3.803 7.344 1.00 0.00 N ATOM 413 CA ASP A 28 -8.668 4.387 8.459 1.00 0.00 C ATOM 414 C ASP A 28 -7.584 3.421 8.924 1.00 0.00 C ATOM 415 O ASP A 28 -6.498 3.841 9.315 1.00 0.00 O ATOM 416 CB ASP A 28 -9.626 4.677 9.613 1.00 0.00 C ATOM 417 CG ASP A 28 -8.909 5.413 10.742 1.00 0.00 C ATOM 418 OD1 ASP A 28 -8.573 6.600 10.534 1.00 0.00 O ATOM 419 OD2 ASP A 28 -8.705 4.783 11.806 1.00 0.00 O ATOM 0 H ASP A 28 -10.363 3.542 7.552 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.206 5.319 8.134 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.462 5.278 9.255 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.043 3.743 9.989 1.00 0.00 H new ATOM 424 N THR A 29 -7.878 2.117 8.883 1.00 0.00 N ATOM 425 CA THR A 29 -6.892 1.117 9.239 1.00 0.00 C ATOM 426 C THR A 29 -5.848 1.046 8.135 1.00 0.00 C ATOM 427 O THR A 29 -4.653 0.996 8.410 1.00 0.00 O ATOM 428 CB THR A 29 -7.558 -0.245 9.434 1.00 0.00 C ATOM 429 OG1 THR A 29 -8.442 -0.184 10.534 1.00 0.00 O ATOM 430 CG2 THR A 29 -6.494 -1.302 9.719 1.00 0.00 C ATOM 0 H THR A 29 -8.786 1.741 8.608 1.00 0.00 H new ATOM 0 HA THR A 29 -6.413 1.393 10.179 1.00 0.00 H new ATOM 0 HB THR A 29 -8.106 -0.506 8.529 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.318 0.136 10.233 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.972 -2.272 9.857 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.801 -1.356 8.880 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.948 -1.034 10.624 1.00 0.00 H new ATOM 437 N LEU A 30 -6.283 1.046 6.876 1.00 0.00 N ATOM 438 CA LEU A 30 -5.366 0.994 5.752 1.00 0.00 C ATOM 439 C LEU A 30 -4.375 2.156 5.795 1.00 0.00 C ATOM 440 O LEU A 30 -3.303 2.067 5.202 1.00 0.00 O ATOM 441 CB LEU A 30 -6.187 1.011 4.459 1.00 0.00 C ATOM 442 CG LEU A 30 -6.034 -0.251 3.604 1.00 0.00 C ATOM 443 CD1 LEU A 30 -4.640 -0.361 3.012 1.00 0.00 C ATOM 444 CD2 LEU A 30 -6.304 -1.506 4.431 1.00 0.00 C ATOM 0 H LEU A 30 -7.268 1.082 6.614 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.777 0.078 5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.239 1.141 4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.893 1.877 3.866 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.763 -0.171 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.570 -1.268 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.443 0.506 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.905 -0.400 3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.189 -2.388 3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.596 -1.556 5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.320 -1.471 4.824 1.00 0.00 H new ATOM 456 N ARG A 31 -4.719 3.240 6.496 1.00 0.00 N ATOM 457 CA ARG A 31 -3.849 4.402 6.594 1.00 0.00 C ATOM 458 C ARG A 31 -2.816 4.156 7.689 1.00 0.00 C ATOM 459 O ARG A 31 -1.618 4.265 7.445 1.00 0.00 O ATOM 460 CB ARG A 31 -4.698 5.638 6.920 1.00 0.00 C ATOM 461 CG ARG A 31 -4.137 6.921 6.301 1.00 0.00 C ATOM 462 CD ARG A 31 -2.713 7.232 6.753 1.00 0.00 C ATOM 463 NE ARG A 31 -2.187 8.408 6.050 1.00 0.00 N ATOM 464 CZ ARG A 31 -2.323 9.675 6.456 1.00 0.00 C ATOM 465 NH1 ARG A 31 -2.964 9.965 7.582 1.00 0.00 N ATOM 466 NH2 ARG A 31 -1.808 10.657 5.723 1.00 0.00 N ATOM 0 H ARG A 31 -5.599 3.331 7.004 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.331 4.571 5.650 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.715 5.480 6.560 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.758 5.757 8.002 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.155 6.831 5.215 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.785 7.757 6.563 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.699 7.409 7.828 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.071 6.372 6.563 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.677 8.246 5.182 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.361 9.217 8.150 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.060 10.936 7.879 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.313 10.442 4.857 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.908 11.626 6.026 1.00 0.00 H new ATOM 480 N ARG A 32 -3.278 3.823 8.894 1.00 0.00 N ATOM 481 CA ARG A 32 -2.408 3.617 10.046 1.00 0.00 C ATOM 482 C ARG A 32 -1.541 2.366 9.889 1.00 0.00 C ATOM 483 O ARG A 32 -0.616 2.151 10.668 1.00 0.00 O ATOM 484 CB ARG A 32 -3.256 3.605 11.319 1.00 0.00 C ATOM 485 CG ARG A 32 -4.154 2.369 11.478 1.00 0.00 C ATOM 486 CD ARG A 32 -3.442 1.167 12.102 1.00 0.00 C ATOM 487 NE ARG A 32 -2.989 1.454 13.465 1.00 0.00 N ATOM 488 CZ ARG A 32 -2.232 0.628 14.193 1.00 0.00 C ATOM 489 NH1 ARG A 32 -1.837 -0.544 13.704 1.00 0.00 N ATOM 490 NH2 ARG A 32 -1.867 0.982 15.420 1.00 0.00 N ATOM 0 H ARG A 32 -4.269 3.689 9.097 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.702 4.444 10.119 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.593 3.670 12.182 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.883 4.497 11.331 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.013 2.632 12.096 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.540 2.083 10.500 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.117 0.311 12.115 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.587 0.890 11.485 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.269 2.340 13.885 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.112 -0.822 12.762 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.259 -1.165 14.271 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.165 1.880 15.801 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.289 0.356 15.981 1.00 0.00 H new ATOM 504 N VAL A 33 -1.842 1.540 8.882 1.00 0.00 N ATOM 505 CA VAL A 33 -1.119 0.300 8.610 1.00 0.00 C ATOM 506 C VAL A 33 -0.086 0.471 7.496 1.00 0.00 C ATOM 507 O VAL A 33 0.953 -0.187 7.525 1.00 0.00 O ATOM 508 CB VAL A 33 -2.134 -0.779 8.220 1.00 0.00 C ATOM 509 CG1 VAL A 33 -1.460 -2.043 7.700 1.00 0.00 C ATOM 510 CG2 VAL A 33 -2.980 -1.151 9.438 1.00 0.00 C ATOM 0 H VAL A 33 -2.604 1.718 8.227 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.575 0.011 9.509 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.753 -0.366 7.423 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.220 -2.779 7.436 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.867 -1.802 6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.811 -2.453 8.473 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.702 -1.919 9.159 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.333 -1.531 10.228 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.510 -0.268 9.796 1.00 0.00 H new ATOM 520 N PHE A 34 -0.350 1.343 6.518 1.00 0.00 N ATOM 521 CA PHE A 34 0.576 1.579 5.419 1.00 0.00 C ATOM 522 C PHE A 34 1.389 2.859 5.609 1.00 0.00 C ATOM 523 O PHE A 34 2.344 3.091 4.871 1.00 0.00 O ATOM 524 CB PHE A 34 -0.216 1.586 4.111 1.00 0.00 C ATOM 525 CG PHE A 34 -0.417 0.203 3.527 1.00 0.00 C ATOM 526 CD1 PHE A 34 -1.419 -0.633 4.035 1.00 0.00 C ATOM 527 CD2 PHE A 34 0.401 -0.251 2.483 1.00 0.00 C ATOM 528 CE1 PHE A 34 -1.606 -1.913 3.498 1.00 0.00 C ATOM 529 CE2 PHE A 34 0.219 -1.531 1.946 1.00 0.00 C ATOM 530 CZ PHE A 34 -0.787 -2.364 2.452 1.00 0.00 C ATOM 0 H PHE A 34 -1.205 1.898 6.470 1.00 0.00 H new ATOM 0 HA PHE A 34 1.311 0.775 5.391 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.189 2.044 4.286 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.303 2.209 3.383 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.049 -0.290 4.843 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.176 0.390 2.091 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.382 -2.554 3.890 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.853 -1.876 1.143 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.932 -3.351 2.038 1.00 0.00 H new ATOM 540 N GLU A 35 1.037 3.696 6.586 1.00 0.00 N ATOM 541 CA GLU A 35 1.790 4.910 6.869 1.00 0.00 C ATOM 542 C GLU A 35 3.145 4.584 7.506 1.00 0.00 C ATOM 543 O GLU A 35 4.094 5.347 7.348 1.00 0.00 O ATOM 544 CB GLU A 35 0.944 5.805 7.778 1.00 0.00 C ATOM 545 CG GLU A 35 1.585 7.148 8.126 1.00 0.00 C ATOM 546 CD GLU A 35 2.628 7.053 9.245 1.00 0.00 C ATOM 547 OE1 GLU A 35 2.483 6.162 10.111 1.00 0.00 O ATOM 548 OE2 GLU A 35 3.571 7.878 9.227 1.00 0.00 O ATOM 0 H GLU A 35 0.231 3.551 7.195 1.00 0.00 H new ATOM 0 HA GLU A 35 2.002 5.437 5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.015 5.990 7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.735 5.267 8.703 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.057 7.559 7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.805 7.848 8.425 1.00 0.00 H new ATOM 555 N LYS A 36 3.244 3.458 8.221 1.00 0.00 N ATOM 556 CA LYS A 36 4.463 3.110 8.944 1.00 0.00 C ATOM 557 C LYS A 36 5.620 2.771 8.008 1.00 0.00 C ATOM 558 O LYS A 36 6.779 2.879 8.402 1.00 0.00 O ATOM 559 CB LYS A 36 4.179 1.952 9.900 1.00 0.00 C ATOM 560 CG LYS A 36 3.843 0.649 9.175 1.00 0.00 C ATOM 561 CD LYS A 36 3.412 -0.394 10.208 1.00 0.00 C ATOM 562 CE LYS A 36 3.133 -1.744 9.552 1.00 0.00 C ATOM 563 NZ LYS A 36 4.371 -2.364 9.035 1.00 0.00 N ATOM 0 H LYS A 36 2.492 2.775 8.312 1.00 0.00 H new ATOM 0 HA LYS A 36 4.774 3.985 9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.048 1.793 10.538 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.349 2.222 10.553 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.045 0.815 8.451 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.710 0.293 8.618 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.192 -0.508 10.960 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.518 -0.048 10.726 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.666 -2.412 10.276 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.423 -1.613 8.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.372 -2.322 7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.197 -1.850 9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.416 -3.357 9.342 1.00 0.00 H new ATOM 577 N TYR A 37 5.309 2.362 6.775 1.00 0.00 N ATOM 578 CA TYR A 37 6.324 2.060 5.776 1.00 0.00 C ATOM 579 C TYR A 37 6.976 3.345 5.257 1.00 0.00 C ATOM 580 O TYR A 37 8.054 3.289 4.668 1.00 0.00 O ATOM 581 CB TYR A 37 5.696 1.273 4.628 1.00 0.00 C ATOM 582 CG TYR A 37 5.234 -0.103 5.050 1.00 0.00 C ATOM 583 CD1 TYR A 37 3.992 -0.261 5.683 1.00 0.00 C ATOM 584 CD2 TYR A 37 6.053 -1.219 4.821 1.00 0.00 C ATOM 585 CE1 TYR A 37 3.571 -1.527 6.102 1.00 0.00 C ATOM 586 CE2 TYR A 37 5.635 -2.492 5.235 1.00 0.00 C ATOM 587 CZ TYR A 37 4.397 -2.651 5.885 1.00 0.00 C ATOM 588 OH TYR A 37 3.997 -3.885 6.304 1.00 0.00 O ATOM 0 H TYR A 37 4.352 2.233 6.448 1.00 0.00 H new ATOM 0 HA TYR A 37 7.103 1.454 6.238 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.848 1.831 4.231 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.421 1.177 3.819 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.359 0.598 5.847 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.005 -1.098 4.326 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.615 -1.645 6.591 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.264 -3.351 5.055 1.00 0.00 H new ATOM 0 HH TYR A 37 4.683 -4.547 6.075 1.00 0.00 H new ATOM 598 N GLY A 38 6.333 4.494 5.473 1.00 0.00 N ATOM 599 CA GLY A 38 6.910 5.785 5.125 1.00 0.00 C ATOM 600 C GLY A 38 5.860 6.883 5.237 1.00 0.00 C ATOM 601 O GLY A 38 5.865 7.649 6.195 1.00 0.00 O ATOM 0 H GLY A 38 5.404 4.552 5.891 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.748 6.006 5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.305 5.752 4.109 1.00 0.00 H new ATOM 605 N ARG A 39 4.958 6.953 4.253 1.00 0.00 N ATOM 606 CA ARG A 39 3.816 7.853 4.281 1.00 0.00 C ATOM 607 C ARG A 39 2.790 7.449 3.232 1.00 0.00 C ATOM 608 O ARG A 39 3.101 6.738 2.279 1.00 0.00 O ATOM 609 CB ARG A 39 4.269 9.307 4.097 1.00 0.00 C ATOM 610 CG ARG A 39 5.249 9.490 2.942 1.00 0.00 C ATOM 611 CD ARG A 39 5.536 10.980 2.740 1.00 0.00 C ATOM 612 NE ARG A 39 6.226 11.560 3.904 1.00 0.00 N ATOM 613 CZ ARG A 39 7.543 11.475 4.110 1.00 0.00 C ATOM 614 NH1 ARG A 39 8.333 10.841 3.247 1.00 0.00 N ATOM 615 NH2 ARG A 39 8.084 12.027 5.192 1.00 0.00 N ATOM 0 H ARG A 39 5.006 6.379 3.411 1.00 0.00 H new ATOM 0 HA ARG A 39 3.337 7.778 5.257 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.394 9.934 3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.735 9.655 5.019 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.176 8.956 3.151 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.834 9.063 2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.148 11.116 1.848 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.600 11.512 2.569 1.00 0.00 H new ATOM 0 HE ARG A 39 5.664 12.057 4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.935 10.410 2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.337 10.786 3.420 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.493 12.515 5.865 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.090 11.962 5.349 1.00 0.00 H new ATOM 629 N VAL A 40 1.557 7.920 3.418 1.00 0.00 N ATOM 630 CA VAL A 40 0.430 7.638 2.540 1.00 0.00 C ATOM 631 C VAL A 40 -0.254 8.966 2.252 1.00 0.00 C ATOM 632 O VAL A 40 -0.588 9.704 3.176 1.00 0.00 O ATOM 633 CB VAL A 40 -0.541 6.662 3.220 1.00 0.00 C ATOM 634 CG1 VAL A 40 -1.844 6.527 2.427 1.00 0.00 C ATOM 635 CG2 VAL A 40 0.103 5.282 3.339 1.00 0.00 C ATOM 0 H VAL A 40 1.312 8.523 4.204 1.00 0.00 H new ATOM 0 HA VAL A 40 0.763 7.172 1.613 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.768 7.061 4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.509 5.829 2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.328 7.501 2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.624 6.155 1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.593 4.596 3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.349 4.908 2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.013 5.355 3.935 1.00 0.00 H new ATOM 645 N GLY A 41 -0.462 9.263 0.969 1.00 0.00 N ATOM 646 CA GLY A 41 -1.069 10.514 0.566 1.00 0.00 C ATOM 647 C GLY A 41 -2.576 10.460 0.733 1.00 0.00 C ATOM 648 O GLY A 41 -3.197 11.492 0.983 1.00 0.00 O ATOM 0 H GLY A 41 -0.215 8.646 0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.661 11.330 1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.821 10.725 -0.474 1.00 0.00 H new ATOM 652 N ASP A 42 -3.164 9.268 0.601 1.00 0.00 N ATOM 653 CA ASP A 42 -4.602 9.134 0.730 1.00 0.00 C ATOM 654 C ASP A 42 -5.053 7.687 0.854 1.00 0.00 C ATOM 655 O ASP A 42 -4.349 6.756 0.469 1.00 0.00 O ATOM 656 CB ASP A 42 -5.240 9.757 -0.517 1.00 0.00 C ATOM 657 CG ASP A 42 -6.755 9.750 -0.443 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.281 10.281 0.561 1.00 0.00 O ATOM 659 OD2 ASP A 42 -7.370 9.216 -1.389 1.00 0.00 O ATOM 0 H ASP A 42 -2.668 8.398 0.408 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.913 9.639 1.645 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.887 10.782 -0.631 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.918 9.208 -1.402 1.00 0.00 H new ATOM 664 N VAL A 43 -6.260 7.533 1.400 1.00 0.00 N ATOM 665 CA VAL A 43 -7.016 6.301 1.443 1.00 0.00 C ATOM 666 C VAL A 43 -8.428 6.638 0.985 1.00 0.00 C ATOM 667 O VAL A 43 -8.953 7.700 1.326 1.00 0.00 O ATOM 668 CB VAL A 43 -7.062 5.721 2.858 1.00 0.00 C ATOM 669 CG1 VAL A 43 -5.683 5.302 3.351 1.00 0.00 C ATOM 670 CG2 VAL A 43 -7.689 6.684 3.863 1.00 0.00 C ATOM 0 H VAL A 43 -6.753 8.308 1.844 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.548 5.553 0.803 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.694 4.836 2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.765 4.896 4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.274 4.541 2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.021 6.168 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.697 6.224 4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.107 7.605 3.896 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.711 6.912 3.560 1.00 0.00 H new ATOM 680 N TYR A 44 -9.051 5.751 0.214 1.00 0.00 N ATOM 681 CA TYR A 44 -10.358 6.048 -0.324 1.00 0.00 C ATOM 682 C TYR A 44 -11.114 4.772 -0.695 1.00 0.00 C ATOM 683 O TYR A 44 -10.520 3.762 -1.066 1.00 0.00 O ATOM 684 CB TYR A 44 -10.116 6.922 -1.552 1.00 0.00 C ATOM 685 CG TYR A 44 -11.343 7.501 -2.201 1.00 0.00 C ATOM 686 CD1 TYR A 44 -12.451 7.884 -1.440 1.00 0.00 C ATOM 687 CD2 TYR A 44 -11.343 7.659 -3.589 1.00 0.00 C ATOM 688 CE1 TYR A 44 -13.587 8.405 -2.074 1.00 0.00 C ATOM 689 CE2 TYR A 44 -12.471 8.181 -4.235 1.00 0.00 C ATOM 690 CZ TYR A 44 -13.601 8.543 -3.478 1.00 0.00 C ATOM 691 OH TYR A 44 -14.706 9.029 -4.102 1.00 0.00 O ATOM 0 H TYR A 44 -8.674 4.839 -0.044 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.979 6.558 0.412 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.459 7.743 -1.265 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.581 6.330 -2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.432 7.779 -0.365 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -10.473 7.379 -4.164 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -14.447 8.699 -1.491 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -12.474 8.305 -5.308 1.00 0.00 H new ATOM 0 HH TYR A 44 -14.548 9.061 -5.069 1.00 0.00 H new ATOM 701 N ILE A 45 -12.443 4.842 -0.584 1.00 0.00 N ATOM 702 CA ILE A 45 -13.344 3.746 -0.911 1.00 0.00 C ATOM 703 C ILE A 45 -14.528 4.310 -1.693 1.00 0.00 C ATOM 704 O ILE A 45 -15.102 5.321 -1.285 1.00 0.00 O ATOM 705 CB ILE A 45 -13.831 3.064 0.375 1.00 0.00 C ATOM 706 CG1 ILE A 45 -12.620 2.563 1.170 1.00 0.00 C ATOM 707 CG2 ILE A 45 -14.776 1.906 0.047 1.00 0.00 C ATOM 708 CD1 ILE A 45 -12.981 1.505 2.210 1.00 0.00 C ATOM 0 H ILE A 45 -12.927 5.679 -0.258 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.824 3.002 -1.515 1.00 0.00 H new ATOM 0 HB ILE A 45 -14.384 3.785 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.886 2.149 0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.146 3.408 1.670 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.110 1.436 0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.639 2.285 -0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -14.253 1.171 -0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.080 1.192 2.738 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.693 1.923 2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.428 0.644 1.713 1.00 0.00 H new ATOM 720 N PRO A 46 -14.909 3.669 -2.808 1.00 0.00 N ATOM 721 CA PRO A 46 -16.079 4.042 -3.584 1.00 0.00 C ATOM 722 C PRO A 46 -17.322 4.169 -2.713 1.00 0.00 C ATOM 723 O PRO A 46 -17.412 3.577 -1.639 1.00 0.00 O ATOM 724 CB PRO A 46 -16.239 2.936 -4.628 1.00 0.00 C ATOM 725 CG PRO A 46 -14.820 2.405 -4.808 1.00 0.00 C ATOM 726 CD PRO A 46 -14.232 2.534 -3.407 1.00 0.00 C ATOM 0 HA PRO A 46 -15.953 5.021 -4.046 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -16.919 2.156 -4.285 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.644 3.323 -5.563 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -14.816 1.372 -5.155 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -14.259 2.989 -5.538 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -14.398 1.627 -2.826 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -13.155 2.695 -3.446 1.00 0.00 H new ATOM 734 N ARG A 47 -18.297 4.946 -3.187 1.00 0.00 N ATOM 735 CA ARG A 47 -19.546 5.178 -2.474 1.00 0.00 C ATOM 736 C ARG A 47 -20.702 5.188 -3.466 1.00 0.00 C ATOM 737 O ARG A 47 -21.831 5.541 -3.125 1.00 0.00 O ATOM 738 CB ARG A 47 -19.431 6.502 -1.709 1.00 0.00 C ATOM 739 CG ARG A 47 -20.536 6.670 -0.662 1.00 0.00 C ATOM 740 CD ARG A 47 -20.327 7.965 0.123 1.00 0.00 C ATOM 741 NE ARG A 47 -20.469 9.141 -0.745 1.00 0.00 N ATOM 742 CZ ARG A 47 -19.805 10.285 -0.574 1.00 0.00 C ATOM 743 NH1 ARG A 47 -18.949 10.429 0.430 1.00 0.00 N ATOM 744 NH2 ARG A 47 -19.995 11.298 -1.416 1.00 0.00 N ATOM 0 H ARG A 47 -18.238 5.433 -4.081 1.00 0.00 H new ATOM 0 HA ARG A 47 -19.740 4.382 -1.755 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.459 6.552 -1.218 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -19.474 7.331 -2.415 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -21.510 6.685 -1.150 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -20.534 5.819 0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -21.050 8.021 0.937 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -19.336 7.962 0.577 1.00 0.00 H new ATOM 0 HE ARG A 47 -21.118 9.079 -1.530 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -18.793 9.660 1.081 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -18.447 11.309 0.550 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -20.649 11.200 -2.193 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -19.487 12.173 -1.285 1.00 0.00 H new ATOM 758 N ASP A 48 -20.417 4.800 -4.710 1.00 0.00 N ATOM 759 CA ASP A 48 -21.338 4.837 -5.834 1.00 0.00 C ATOM 760 C ASP A 48 -22.139 6.134 -5.906 1.00 0.00 C ATOM 761 O ASP A 48 -23.172 6.182 -6.563 1.00 0.00 O ATOM 762 CB ASP A 48 -22.207 3.585 -5.838 1.00 0.00 C ATOM 763 CG ASP A 48 -21.408 2.319 -6.142 1.00 0.00 C ATOM 764 OD1 ASP A 48 -20.178 2.318 -5.909 1.00 0.00 O ATOM 765 OD2 ASP A 48 -22.035 1.345 -6.613 1.00 0.00 O ATOM 0 H ASP A 48 -19.499 4.437 -4.967 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.752 4.833 -6.753 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -22.692 3.480 -4.868 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.998 3.698 -6.579 1.00 0.00 H new ATOM 770 N ARG A 49 -21.641 7.165 -5.216 1.00 0.00 N ATOM 771 CA ARG A 49 -22.171 8.511 -5.053 1.00 0.00 C ATOM 772 C ARG A 49 -23.691 8.640 -4.864 1.00 0.00 C ATOM 773 O ARG A 49 -24.207 9.755 -4.869 1.00 0.00 O ATOM 774 CB ARG A 49 -21.554 9.422 -6.126 1.00 0.00 C ATOM 775 CG ARG A 49 -22.156 9.279 -7.520 1.00 0.00 C ATOM 776 CD ARG A 49 -21.267 10.011 -8.523 1.00 0.00 C ATOM 777 NE ARG A 49 -21.181 11.448 -8.231 1.00 0.00 N ATOM 778 CZ ARG A 49 -22.035 12.363 -8.701 1.00 0.00 C ATOM 779 NH1 ARG A 49 -23.056 12.017 -9.482 1.00 0.00 N ATOM 780 NH2 ARG A 49 -21.868 13.645 -8.385 1.00 0.00 N ATOM 0 H ARG A 49 -20.764 7.059 -4.706 1.00 0.00 H new ATOM 0 HA ARG A 49 -21.852 8.865 -4.072 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -21.661 10.458 -5.806 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -20.485 9.215 -6.186 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -22.238 8.226 -7.788 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -23.164 9.692 -7.539 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -20.267 9.577 -8.507 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -21.661 9.868 -9.529 1.00 0.00 H new ATOM 0 HE ARG A 49 -20.421 11.768 -7.631 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -23.198 11.038 -9.732 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -23.696 12.730 -9.830 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -21.091 13.926 -7.787 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -22.517 14.347 -8.741 1.00 0.00 H new ATOM 794 N TYR A 50 -24.410 7.524 -4.695 1.00 0.00 N ATOM 795 CA TYR A 50 -25.832 7.492 -4.363 1.00 0.00 C ATOM 796 C TYR A 50 -26.291 6.130 -3.826 1.00 0.00 C ATOM 797 O TYR A 50 -27.324 6.076 -3.161 1.00 0.00 O ATOM 798 CB TYR A 50 -26.669 7.868 -5.588 1.00 0.00 C ATOM 799 CG TYR A 50 -26.164 7.265 -6.879 1.00 0.00 C ATOM 800 CD1 TYR A 50 -26.606 6.008 -7.313 1.00 0.00 C ATOM 801 CD2 TYR A 50 -25.234 7.986 -7.631 1.00 0.00 C ATOM 802 CE1 TYR A 50 -26.072 5.454 -8.491 1.00 0.00 C ATOM 803 CE2 TYR A 50 -24.670 7.432 -8.786 1.00 0.00 C ATOM 804 CZ TYR A 50 -25.096 6.162 -9.225 1.00 0.00 C ATOM 805 OH TYR A 50 -24.567 5.625 -10.360 1.00 0.00 O ATOM 0 H TYR A 50 -24.003 6.593 -4.789 1.00 0.00 H new ATOM 0 HA TYR A 50 -25.982 8.221 -3.567 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -27.698 7.547 -5.426 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -26.685 8.953 -5.686 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -27.351 5.468 -6.747 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -24.948 8.979 -7.319 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -26.409 4.487 -8.834 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -23.915 7.973 -9.336 1.00 0.00 H new ATOM 0 HH TYR A 50 -23.911 6.245 -10.740 1.00 0.00 H new ATOM 815 N THR A 51 -25.569 5.027 -4.085 1.00 0.00 N ATOM 816 CA THR A 51 -25.964 3.723 -3.541 1.00 0.00 C ATOM 817 C THR A 51 -25.190 3.425 -2.259 1.00 0.00 C ATOM 818 O THR A 51 -25.643 2.620 -1.446 1.00 0.00 O ATOM 819 CB THR A 51 -25.755 2.579 -4.538 1.00 0.00 C ATOM 820 OG1 THR A 51 -24.444 2.079 -4.454 1.00 0.00 O ATOM 821 CG2 THR A 51 -26.016 3.010 -5.981 1.00 0.00 C ATOM 0 H THR A 51 -24.725 5.013 -4.657 1.00 0.00 H new ATOM 0 HA THR A 51 -27.031 3.785 -3.328 1.00 0.00 H new ATOM 0 HB THR A 51 -26.474 1.805 -4.270 1.00 0.00 H new ATOM 0 HG1 THR A 51 -24.331 1.348 -5.097 1.00 0.00 H new ATOM 0 HG21 THR A 51 -25.854 2.164 -6.648 1.00 0.00 H new ATOM 0 HG22 THR A 51 -27.045 3.356 -6.077 1.00 0.00 H new ATOM 0 HG23 THR A 51 -25.335 3.818 -6.248 1.00 0.00 H new ATOM 828 N LYS A 52 -24.033 4.079 -2.093 1.00 0.00 N ATOM 829 CA LYS A 52 -23.137 3.954 -0.945 1.00 0.00 C ATOM 830 C LYS A 52 -22.953 2.512 -0.462 1.00 0.00 C ATOM 831 O LYS A 52 -22.763 2.274 0.729 1.00 0.00 O ATOM 832 CB LYS A 52 -23.499 4.932 0.186 1.00 0.00 C ATOM 833 CG LYS A 52 -24.915 4.759 0.750 1.00 0.00 C ATOM 834 CD LYS A 52 -25.915 5.654 0.011 1.00 0.00 C ATOM 835 CE LYS A 52 -27.344 5.357 0.473 1.00 0.00 C ATOM 836 NZ LYS A 52 -28.317 6.191 -0.256 1.00 0.00 N ATOM 0 H LYS A 52 -23.684 4.738 -2.789 1.00 0.00 H new ATOM 0 HA LYS A 52 -22.152 4.252 -1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -22.781 4.810 0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.392 5.951 -0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -25.220 3.716 0.661 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -24.919 5.003 1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -25.678 6.702 0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -25.833 5.491 -1.064 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -27.571 4.303 0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -27.430 5.542 1.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -29.269 5.787 -0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -28.305 7.157 0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -28.064 6.218 -1.264 1.00 0.00 H new ATOM 850 N GLU A 53 -23.014 1.558 -1.390 1.00 0.00 N ATOM 851 CA GLU A 53 -22.723 0.162 -1.125 1.00 0.00 C ATOM 852 C GLU A 53 -21.207 -0.006 -0.946 1.00 0.00 C ATOM 853 O GLU A 53 -20.491 0.958 -0.673 1.00 0.00 O ATOM 854 CB GLU A 53 -23.247 -0.691 -2.287 1.00 0.00 C ATOM 855 CG GLU A 53 -24.777 -0.659 -2.339 1.00 0.00 C ATOM 856 CD GLU A 53 -25.303 -1.593 -3.431 1.00 0.00 C ATOM 857 OE1 GLU A 53 -25.402 -1.129 -4.587 1.00 0.00 O ATOM 858 OE2 GLU A 53 -25.602 -2.763 -3.098 1.00 0.00 O ATOM 0 H GLU A 53 -23.271 1.743 -2.360 1.00 0.00 H new ATOM 0 HA GLU A 53 -23.217 -0.168 -0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.839 -0.322 -3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.904 -1.719 -2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -25.185 -0.956 -1.373 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -25.118 0.359 -2.529 1.00 0.00 H new ATOM 865 N SER A 54 -20.721 -1.238 -1.101 1.00 0.00 N ATOM 866 CA SER A 54 -19.317 -1.568 -0.933 1.00 0.00 C ATOM 867 C SER A 54 -18.863 -2.485 -2.065 1.00 0.00 C ATOM 868 O SER A 54 -19.693 -3.003 -2.810 1.00 0.00 O ATOM 869 CB SER A 54 -19.103 -2.221 0.432 1.00 0.00 C ATOM 870 OG SER A 54 -17.729 -2.470 0.647 1.00 0.00 O ATOM 0 H SER A 54 -21.302 -2.039 -1.349 1.00 0.00 H new ATOM 0 HA SER A 54 -18.716 -0.659 -0.973 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.489 -1.572 1.218 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.662 -3.155 0.487 1.00 0.00 H new ATOM 0 HG SER A 54 -17.606 -2.887 1.525 1.00 0.00 H new ATOM 876 N ARG A 55 -17.545 -2.689 -2.198 1.00 0.00 N ATOM 877 CA ARG A 55 -17.000 -3.425 -3.333 1.00 0.00 C ATOM 878 C ARG A 55 -15.754 -4.242 -2.972 1.00 0.00 C ATOM 879 O ARG A 55 -15.181 -4.897 -3.834 1.00 0.00 O ATOM 880 CB ARG A 55 -16.765 -2.414 -4.460 1.00 0.00 C ATOM 881 CG ARG A 55 -16.515 -3.097 -5.803 1.00 0.00 C ATOM 882 CD ARG A 55 -16.784 -2.124 -6.951 1.00 0.00 C ATOM 883 NE ARG A 55 -18.227 -1.916 -7.148 1.00 0.00 N ATOM 884 CZ ARG A 55 -18.905 -0.797 -6.868 1.00 0.00 C ATOM 885 NH1 ARG A 55 -18.300 0.278 -6.372 1.00 0.00 N ATOM 886 NH2 ARG A 55 -20.215 -0.753 -7.088 1.00 0.00 N ATOM 0 H ARG A 55 -16.845 -2.355 -1.535 1.00 0.00 H new ATOM 0 HA ARG A 55 -17.710 -4.182 -3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -17.631 -1.757 -4.544 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.911 -1.785 -4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.486 -3.452 -5.852 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -17.159 -3.971 -5.900 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.302 -1.169 -6.742 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -16.341 -2.510 -7.869 1.00 0.00 H new ATOM 0 HE ARG A 55 -18.759 -2.696 -7.533 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -17.295 0.262 -6.196 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -18.840 1.118 -6.167 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -20.696 -1.568 -7.468 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -20.739 0.096 -6.877 1.00 0.00 H new ATOM 900 N GLY A 56 -15.323 -4.215 -1.702 1.00 0.00 N ATOM 901 CA GLY A 56 -14.289 -5.120 -1.221 1.00 0.00 C ATOM 902 C GLY A 56 -12.862 -4.581 -1.335 1.00 0.00 C ATOM 903 O GLY A 56 -11.918 -5.375 -1.324 1.00 0.00 O ATOM 0 H GLY A 56 -15.680 -3.572 -0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.491 -5.357 -0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.355 -6.054 -1.779 1.00 0.00 H new ATOM 907 N PHE A 57 -12.673 -3.264 -1.441 1.00 0.00 N ATOM 908 CA PHE A 57 -11.333 -2.701 -1.500 1.00 0.00 C ATOM 909 C PHE A 57 -11.313 -1.251 -1.024 1.00 0.00 C ATOM 910 O PHE A 57 -12.356 -0.627 -0.835 1.00 0.00 O ATOM 911 CB PHE A 57 -10.779 -2.804 -2.925 1.00 0.00 C ATOM 912 CG PHE A 57 -11.399 -1.869 -3.945 1.00 0.00 C ATOM 913 CD1 PHE A 57 -12.669 -2.137 -4.481 1.00 0.00 C ATOM 914 CD2 PHE A 57 -10.690 -0.737 -4.371 1.00 0.00 C ATOM 915 CE1 PHE A 57 -13.206 -1.284 -5.455 1.00 0.00 C ATOM 916 CE2 PHE A 57 -11.220 0.104 -5.359 1.00 0.00 C ATOM 917 CZ PHE A 57 -12.482 -0.168 -5.896 1.00 0.00 C ATOM 0 H PHE A 57 -13.426 -2.578 -1.487 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.697 -3.278 -0.828 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.706 -2.614 -2.892 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -10.911 -3.829 -3.272 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.229 -2.997 -4.144 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.728 -0.511 -3.935 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.183 -1.488 -5.868 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.656 0.958 -5.704 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.899 0.482 -6.651 1.00 0.00 H new ATOM 927 N ALA A 58 -10.103 -0.727 -0.835 1.00 0.00 N ATOM 928 CA ALA A 58 -9.863 0.650 -0.442 1.00 0.00 C ATOM 929 C ALA A 58 -8.635 1.157 -1.181 1.00 0.00 C ATOM 930 O ALA A 58 -7.516 0.967 -0.717 1.00 0.00 O ATOM 931 CB ALA A 58 -9.685 0.774 1.074 1.00 0.00 C ATOM 0 H ALA A 58 -9.245 -1.266 -0.955 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.728 1.258 -0.708 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.507 1.817 1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.586 0.423 1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.835 0.170 1.391 1.00 0.00 H new ATOM 937 N PHE A 59 -8.859 1.794 -2.333 1.00 0.00 N ATOM 938 CA PHE A 59 -7.779 2.316 -3.152 1.00 0.00 C ATOM 939 C PHE A 59 -7.055 3.384 -2.329 1.00 0.00 C ATOM 940 O PHE A 59 -7.542 4.502 -2.181 1.00 0.00 O ATOM 941 CB PHE A 59 -8.352 2.833 -4.485 1.00 0.00 C ATOM 942 CG PHE A 59 -7.388 3.623 -5.354 1.00 0.00 C ATOM 943 CD1 PHE A 59 -7.205 4.982 -5.078 1.00 0.00 C ATOM 944 CD2 PHE A 59 -6.695 3.035 -6.429 1.00 0.00 C ATOM 945 CE1 PHE A 59 -6.299 5.743 -5.825 1.00 0.00 C ATOM 946 CE2 PHE A 59 -5.765 3.790 -7.155 1.00 0.00 C ATOM 947 CZ PHE A 59 -5.556 5.141 -6.848 1.00 0.00 C ATOM 0 H PHE A 59 -9.790 1.958 -2.716 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.050 1.551 -3.420 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.714 1.980 -5.059 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.216 3.461 -4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.767 5.448 -4.282 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.880 2.004 -6.693 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.173 6.794 -5.613 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.206 3.328 -7.956 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.825 5.715 -7.398 1.00 0.00 H new ATOM 957 N VAL A 60 -5.882 3.034 -1.790 1.00 0.00 N ATOM 958 CA VAL A 60 -5.039 4.025 -1.119 1.00 0.00 C ATOM 959 C VAL A 60 -3.943 4.422 -2.087 1.00 0.00 C ATOM 960 O VAL A 60 -3.784 3.753 -3.108 1.00 0.00 O ATOM 961 CB VAL A 60 -4.440 3.510 0.197 1.00 0.00 C ATOM 962 CG1 VAL A 60 -5.415 2.604 0.940 1.00 0.00 C ATOM 963 CG2 VAL A 60 -3.113 2.784 -0.013 1.00 0.00 C ATOM 0 H VAL A 60 -5.501 2.088 -1.805 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.653 4.883 -0.845 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.247 4.392 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.957 2.258 1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.324 3.159 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.662 1.746 0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.731 2.439 0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.266 1.928 -0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.393 3.465 -0.466 1.00 0.00 H new ATOM 973 N ARG A 61 -3.186 5.481 -1.786 1.00 0.00 N ATOM 974 CA ARG A 61 -2.128 5.911 -2.686 1.00 0.00 C ATOM 975 C ARG A 61 -0.883 6.398 -1.936 1.00 0.00 C ATOM 976 O ARG A 61 -0.999 7.084 -0.919 1.00 0.00 O ATOM 977 CB ARG A 61 -2.703 6.958 -3.658 1.00 0.00 C ATOM 978 CG ARG A 61 -2.590 8.383 -3.114 1.00 0.00 C ATOM 979 CD ARG A 61 -3.270 9.356 -4.077 1.00 0.00 C ATOM 980 NE ARG A 61 -2.715 9.229 -5.432 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.445 9.059 -6.538 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.772 9.035 -6.480 1.00 0.00 N ATOM 983 NH2 ARG A 61 -2.852 8.913 -7.720 1.00 0.00 N ATOM 0 H ARG A 61 -3.287 6.043 -0.941 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.777 5.058 -3.266 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.177 6.893 -4.611 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.750 6.730 -3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.055 8.445 -2.130 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.541 8.653 -2.989 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.342 9.161 -4.099 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.139 10.378 -3.721 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.701 9.274 -5.535 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.245 9.147 -5.584 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.317 8.904 -7.332 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.834 8.930 -7.786 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.415 8.784 -8.561 1.00 0.00 H new ATOM 997 N PHE A 62 0.303 6.042 -2.450 1.00 0.00 N ATOM 998 CA PHE A 62 1.587 6.467 -1.882 1.00 0.00 C ATOM 999 C PHE A 62 2.270 7.474 -2.802 1.00 0.00 C ATOM 1000 O PHE A 62 1.878 7.618 -3.961 1.00 0.00 O ATOM 1001 CB PHE A 62 2.557 5.293 -1.736 1.00 0.00 C ATOM 1002 CG PHE A 62 2.373 4.413 -0.525 1.00 0.00 C ATOM 1003 CD1 PHE A 62 1.238 3.604 -0.381 1.00 0.00 C ATOM 1004 CD2 PHE A 62 3.370 4.400 0.460 1.00 0.00 C ATOM 1005 CE1 PHE A 62 1.116 2.771 0.740 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.252 3.572 1.581 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.126 2.754 1.717 1.00 0.00 C ATOM 0 H PHE A 62 0.397 5.449 -3.274 1.00 0.00 H new ATOM 0 HA PHE A 62 1.362 6.899 -0.907 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.474 4.670 -2.626 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.572 5.690 -1.718 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.461 3.622 -1.130 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.237 5.035 0.352 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.245 2.142 0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.024 3.564 2.336 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.032 2.107 2.576 1.00 0.00 H new ATOM 1017 N HIS A 63 3.294 8.155 -2.273 1.00 0.00 N ATOM 1018 CA HIS A 63 4.054 9.149 -3.011 1.00 0.00 C ATOM 1019 C HIS A 63 5.552 8.859 -3.031 1.00 0.00 C ATOM 1020 O HIS A 63 6.218 9.153 -4.022 1.00 0.00 O ATOM 1021 CB HIS A 63 3.819 10.559 -2.457 1.00 0.00 C ATOM 1022 CG HIS A 63 3.164 10.697 -1.095 1.00 0.00 C ATOM 1023 ND1 HIS A 63 3.372 9.941 0.030 1.00 0.00 N flip ATOM 1024 CD2 HIS A 63 2.222 11.686 -0.803 1.00 0.00 C flip ATOM 1025 CE1 HIS A 63 2.563 10.477 1.007 1.00 0.00 C flip ATOM 1026 NE2 HIS A 63 1.900 11.518 0.485 1.00 0.00 N flip ATOM 0 H HIS A 63 3.614 8.025 -1.313 1.00 0.00 H new ATOM 0 HA HIS A 63 3.688 9.095 -4.036 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.784 11.065 -2.415 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.206 11.101 -3.177 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.833 12.433 -1.479 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.477 10.119 2.022 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.240 12.102 0.999 1.00 0.00 H new ATOM 1034 N ASP A 64 6.089 8.282 -1.958 1.00 0.00 N ATOM 1035 CA ASP A 64 7.489 7.912 -1.923 1.00 0.00 C ATOM 1036 C ASP A 64 7.713 6.650 -2.740 1.00 0.00 C ATOM 1037 O ASP A 64 7.103 5.617 -2.474 1.00 0.00 O ATOM 1038 CB ASP A 64 7.907 7.648 -0.479 1.00 0.00 C ATOM 1039 CG ASP A 64 8.416 8.919 0.182 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.600 9.249 -0.045 1.00 0.00 O ATOM 1041 OD2 ASP A 64 7.622 9.551 0.912 1.00 0.00 O ATOM 0 H ASP A 64 5.571 8.064 -1.107 1.00 0.00 H new ATOM 0 HA ASP A 64 8.082 8.725 -2.341 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.059 7.256 0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.685 6.885 -0.456 1.00 0.00 H new ATOM 1046 N LYS A 65 8.591 6.727 -3.740 1.00 0.00 N ATOM 1047 CA LYS A 65 8.903 5.583 -4.587 1.00 0.00 C ATOM 1048 C LYS A 65 9.477 4.446 -3.753 1.00 0.00 C ATOM 1049 O LYS A 65 8.999 3.319 -3.852 1.00 0.00 O ATOM 1050 CB LYS A 65 9.905 6.031 -5.652 1.00 0.00 C ATOM 1051 CG LYS A 65 10.413 4.892 -6.551 1.00 0.00 C ATOM 1052 CD LYS A 65 9.308 4.343 -7.454 1.00 0.00 C ATOM 1053 CE LYS A 65 8.606 3.130 -6.853 1.00 0.00 C ATOM 1054 NZ LYS A 65 9.504 1.959 -6.806 1.00 0.00 N ATOM 0 H LYS A 65 9.100 7.577 -3.982 1.00 0.00 H new ATOM 0 HA LYS A 65 7.996 5.216 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.439 6.793 -6.277 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.757 6.500 -5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.237 5.254 -7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.808 4.088 -5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.574 5.127 -7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.735 4.070 -8.419 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.262 3.368 -5.846 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.722 2.889 -7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.947 1.089 -6.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.206 2.029 -7.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.992 1.932 -5.888 1.00 0.00 H new ATOM 1068 N ARG A 66 10.493 4.738 -2.935 1.00 0.00 N ATOM 1069 CA ARG A 66 11.174 3.715 -2.149 1.00 0.00 C ATOM 1070 C ARG A 66 10.263 3.066 -1.110 1.00 0.00 C ATOM 1071 O ARG A 66 10.452 1.899 -0.768 1.00 0.00 O ATOM 1072 CB ARG A 66 12.442 4.285 -1.511 1.00 0.00 C ATOM 1073 CG ARG A 66 12.206 5.328 -0.409 1.00 0.00 C ATOM 1074 CD ARG A 66 11.683 6.670 -0.919 1.00 0.00 C ATOM 1075 NE ARG A 66 12.578 7.231 -1.939 1.00 0.00 N ATOM 1076 CZ ARG A 66 12.507 8.479 -2.403 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.601 9.332 -1.934 1.00 0.00 N ATOM 1078 NH2 ARG A 66 13.345 8.887 -3.353 1.00 0.00 N ATOM 0 H ARG A 66 10.860 5.680 -2.803 1.00 0.00 H new ATOM 0 HA ARG A 66 11.462 2.919 -2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.021 3.462 -1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.051 4.738 -2.293 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.495 4.924 0.312 1.00 0.00 H new ATOM 0 HG3 ARG A 66 13.142 5.494 0.125 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.685 6.540 -1.338 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.591 7.368 -0.087 1.00 0.00 H new ATOM 0 HE ARG A 66 13.304 6.624 -2.319 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.948 9.035 -1.209 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.559 10.284 -2.299 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.043 8.245 -3.727 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.289 9.842 -3.707 1.00 0.00 H new ATOM 1092 N ASP A 67 9.274 3.806 -0.605 1.00 0.00 N ATOM 1093 CA ASP A 67 8.390 3.277 0.421 1.00 0.00 C ATOM 1094 C ASP A 67 7.181 2.596 -0.208 1.00 0.00 C ATOM 1095 O ASP A 67 6.478 1.841 0.461 1.00 0.00 O ATOM 1096 CB ASP A 67 7.946 4.403 1.354 1.00 0.00 C ATOM 1097 CG ASP A 67 9.134 5.055 2.064 1.00 0.00 C ATOM 1098 OD1 ASP A 67 10.071 4.316 2.438 1.00 0.00 O ATOM 1099 OD2 ASP A 67 9.093 6.296 2.230 1.00 0.00 O ATOM 0 H ASP A 67 9.071 4.764 -0.890 1.00 0.00 H new ATOM 0 HA ASP A 67 8.933 2.531 1.001 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.406 5.157 0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.252 4.008 2.096 1.00 0.00 H new ATOM 1104 N ALA A 68 6.930 2.851 -1.498 1.00 0.00 N ATOM 1105 CA ALA A 68 5.828 2.234 -2.200 1.00 0.00 C ATOM 1106 C ALA A 68 6.210 0.818 -2.612 1.00 0.00 C ATOM 1107 O ALA A 68 5.392 -0.098 -2.539 1.00 0.00 O ATOM 1108 CB ALA A 68 5.529 3.074 -3.435 1.00 0.00 C ATOM 0 H ALA A 68 7.487 3.487 -2.069 1.00 0.00 H new ATOM 0 HA ALA A 68 4.948 2.181 -1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.699 2.630 -3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.262 4.086 -3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.411 3.108 -4.074 1.00 0.00 H new ATOM 1114 N GLU A 69 7.461 0.629 -3.045 1.00 0.00 N ATOM 1115 CA GLU A 69 7.948 -0.691 -3.408 1.00 0.00 C ATOM 1116 C GLU A 69 8.272 -1.503 -2.155 1.00 0.00 C ATOM 1117 O GLU A 69 8.231 -2.728 -2.204 1.00 0.00 O ATOM 1118 CB GLU A 69 9.174 -0.570 -4.321 1.00 0.00 C ATOM 1119 CG GLU A 69 10.289 0.251 -3.676 1.00 0.00 C ATOM 1120 CD GLU A 69 11.559 0.224 -4.521 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.365 -0.713 -4.330 1.00 0.00 O ATOM 1122 OE2 GLU A 69 11.708 1.142 -5.356 1.00 0.00 O ATOM 0 H GLU A 69 8.147 1.376 -3.150 1.00 0.00 H new ATOM 0 HA GLU A 69 7.167 -1.218 -3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.548 -1.566 -4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.880 -0.106 -5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.957 1.281 -3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.503 -0.141 -2.682 1.00 0.00 H new ATOM 1129 N ASP A 70 8.593 -0.845 -1.034 1.00 0.00 N ATOM 1130 CA ASP A 70 8.848 -1.563 0.207 1.00 0.00 C ATOM 1131 C ASP A 70 7.547 -2.103 0.798 1.00 0.00 C ATOM 1132 O ASP A 70 7.480 -3.275 1.173 1.00 0.00 O ATOM 1133 CB ASP A 70 9.546 -0.630 1.195 1.00 0.00 C ATOM 1134 CG ASP A 70 9.942 -1.371 2.474 1.00 0.00 C ATOM 1135 OD1 ASP A 70 10.781 -2.292 2.369 1.00 0.00 O ATOM 1136 OD2 ASP A 70 9.402 -1.010 3.542 1.00 0.00 O ATOM 0 H ASP A 70 8.680 0.169 -0.967 1.00 0.00 H new ATOM 0 HA ASP A 70 9.495 -2.415 0.001 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.434 -0.203 0.730 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.885 0.201 1.443 1.00 0.00 H new ATOM 1141 N ALA A 71 6.502 -1.269 0.886 1.00 0.00 N ATOM 1142 CA ALA A 71 5.224 -1.700 1.431 1.00 0.00 C ATOM 1143 C ALA A 71 4.622 -2.816 0.582 1.00 0.00 C ATOM 1144 O ALA A 71 3.941 -3.701 1.098 1.00 0.00 O ATOM 1145 CB ALA A 71 4.283 -0.502 1.490 1.00 0.00 C ATOM 0 H ALA A 71 6.524 -0.295 0.585 1.00 0.00 H new ATOM 0 HA ALA A 71 5.374 -2.095 2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.321 -0.814 1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.715 0.269 2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.139 -0.102 0.486 1.00 0.00 H new ATOM 1151 N MET A 72 4.881 -2.779 -0.728 1.00 0.00 N ATOM 1152 CA MET A 72 4.423 -3.800 -1.650 1.00 0.00 C ATOM 1153 C MET A 72 5.247 -5.071 -1.474 1.00 0.00 C ATOM 1154 O MET A 72 4.699 -6.167 -1.496 1.00 0.00 O ATOM 1155 CB MET A 72 4.583 -3.237 -3.059 1.00 0.00 C ATOM 1156 CG MET A 72 4.528 -4.293 -4.158 1.00 0.00 C ATOM 1157 SD MET A 72 4.354 -3.601 -5.823 1.00 0.00 S ATOM 1158 CE MET A 72 5.491 -2.193 -5.708 1.00 0.00 C ATOM 0 H MET A 72 5.417 -2.033 -1.172 1.00 0.00 H new ATOM 0 HA MET A 72 3.381 -4.060 -1.463 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.799 -2.501 -3.237 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.535 -2.710 -3.123 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.436 -4.895 -4.117 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.691 -4.964 -3.964 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.653 -1.774 -6.701 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.061 -1.430 -5.058 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.443 -2.527 -5.295 1.00 0.00 H new ATOM 1168 N ASP A 73 6.561 -4.932 -1.301 1.00 0.00 N ATOM 1169 CA ASP A 73 7.437 -6.077 -1.156 1.00 0.00 C ATOM 1170 C ASP A 73 7.430 -6.607 0.277 1.00 0.00 C ATOM 1171 O ASP A 73 8.164 -7.543 0.590 1.00 0.00 O ATOM 1172 CB ASP A 73 8.849 -5.682 -1.591 1.00 0.00 C ATOM 1173 CG ASP A 73 9.774 -6.895 -1.669 1.00 0.00 C ATOM 1174 OD1 ASP A 73 9.417 -7.845 -2.397 1.00 0.00 O ATOM 1175 OD2 ASP A 73 10.832 -6.862 -1.001 1.00 0.00 O ATOM 0 H ASP A 73 7.037 -4.031 -1.259 1.00 0.00 H new ATOM 0 HA ASP A 73 7.076 -6.884 -1.793 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.807 -5.193 -2.564 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.258 -4.957 -0.887 1.00 0.00 H new ATOM 1180 N ALA A 74 6.609 -6.024 1.162 1.00 0.00 N ATOM 1181 CA ALA A 74 6.600 -6.391 2.568 1.00 0.00 C ATOM 1182 C ALA A 74 5.196 -6.692 3.084 1.00 0.00 C ATOM 1183 O ALA A 74 5.057 -7.119 4.229 1.00 0.00 O ATOM 1184 CB ALA A 74 7.193 -5.234 3.360 1.00 0.00 C ATOM 0 H ALA A 74 5.942 -5.292 0.917 1.00 0.00 H new ATOM 0 HA ALA A 74 7.186 -7.302 2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.198 -5.484 4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.214 -5.050 3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.592 -4.339 3.201 1.00 0.00 H new ATOM 1190 N MET A 75 4.160 -6.486 2.269 1.00 0.00 N ATOM 1191 CA MET A 75 2.811 -6.806 2.708 1.00 0.00 C ATOM 1192 C MET A 75 1.921 -7.438 1.638 1.00 0.00 C ATOM 1193 O MET A 75 1.007 -8.183 1.990 1.00 0.00 O ATOM 1194 CB MET A 75 2.127 -5.539 3.218 1.00 0.00 C ATOM 1195 CG MET A 75 1.174 -5.913 4.347 1.00 0.00 C ATOM 1196 SD MET A 75 -0.057 -4.646 4.759 1.00 0.00 S ATOM 1197 CE MET A 75 1.042 -3.278 5.187 1.00 0.00 C ATOM 0 H MET A 75 4.230 -6.108 1.324 1.00 0.00 H new ATOM 0 HA MET A 75 2.931 -7.553 3.493 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.871 -4.826 3.573 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.581 -5.054 2.409 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.652 -6.830 4.074 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.760 -6.133 5.239 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.464 -2.357 5.260 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.522 -3.483 6.144 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.804 -3.168 4.415 1.00 0.00 H new ATOM 1207 N ASP A 76 2.152 -7.171 0.349 1.00 0.00 N ATOM 1208 CA ASP A 76 1.315 -7.790 -0.665 1.00 0.00 C ATOM 1209 C ASP A 76 1.458 -9.309 -0.612 1.00 0.00 C ATOM 1210 O ASP A 76 2.568 -9.837 -0.526 1.00 0.00 O ATOM 1211 CB ASP A 76 1.701 -7.259 -2.045 1.00 0.00 C ATOM 1212 CG ASP A 76 1.032 -8.044 -3.171 1.00 0.00 C ATOM 1213 OD1 ASP A 76 -0.114 -7.690 -3.525 1.00 0.00 O ATOM 1214 OD2 ASP A 76 1.672 -8.996 -3.669 1.00 0.00 O ATOM 0 H ASP A 76 2.884 -6.554 -0.002 1.00 0.00 H new ATOM 0 HA ASP A 76 0.272 -7.539 -0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.421 -6.208 -2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.784 -7.309 -2.162 1.00 0.00 H new ATOM 1219 N GLY A 77 0.323 -10.007 -0.665 1.00 0.00 N ATOM 1220 CA GLY A 77 0.292 -11.459 -0.685 1.00 0.00 C ATOM 1221 C GLY A 77 0.558 -12.079 0.689 1.00 0.00 C ATOM 1222 O GLY A 77 0.732 -13.292 0.783 1.00 0.00 O ATOM 0 H GLY A 77 -0.600 -9.574 -0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.681 -11.792 -1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.036 -11.824 -1.393 1.00 0.00 H new ATOM 1226 N ALA A 78 0.588 -11.261 1.748 1.00 0.00 N ATOM 1227 CA ALA A 78 0.855 -11.734 3.103 1.00 0.00 C ATOM 1228 C ALA A 78 -0.418 -12.287 3.746 1.00 0.00 C ATOM 1229 O ALA A 78 -0.617 -12.173 4.956 1.00 0.00 O ATOM 1230 CB ALA A 78 1.442 -10.591 3.930 1.00 0.00 C ATOM 0 H ALA A 78 0.428 -10.256 1.685 1.00 0.00 H new ATOM 0 HA ALA A 78 1.578 -12.549 3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.643 -10.940 4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.371 -10.251 3.473 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.731 -9.765 3.965 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.278 -12.885 2.923 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.602 -13.332 3.327 1.00 0.00 C ATOM 1238 C VAL A 79 -2.545 -14.528 4.271 1.00 0.00 C ATOM 1239 O VAL A 79 -1.503 -15.172 4.417 1.00 0.00 O ATOM 1240 CB VAL A 79 -3.421 -13.681 2.081 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -4.853 -14.106 2.333 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.358 -12.544 1.060 1.00 0.00 C ATOM 0 H VAL A 79 -1.067 -13.073 1.943 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.079 -12.518 3.873 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.944 -14.574 1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.339 -14.329 1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.863 -14.995 2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.389 -13.300 2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.946 -12.811 0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.761 -11.634 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.322 -12.376 0.766 1.00 0.00 H new ATOM 1252 N LEU A 80 -3.676 -14.827 4.916 1.00 0.00 N ATOM 1253 CA LEU A 80 -3.784 -15.979 5.805 1.00 0.00 C ATOM 1254 C LEU A 80 -5.219 -16.497 5.949 1.00 0.00 C ATOM 1255 O LEU A 80 -5.456 -17.394 6.757 1.00 0.00 O ATOM 1256 CB LEU A 80 -3.173 -15.651 7.179 1.00 0.00 C ATOM 1257 CG LEU A 80 -4.107 -14.896 8.130 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -3.350 -14.582 9.417 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -4.607 -13.584 7.534 1.00 0.00 C ATOM 0 H LEU A 80 -4.534 -14.281 4.836 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.217 -16.789 5.345 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.865 -16.581 7.656 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.272 -15.057 7.028 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.972 -15.533 8.317 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.005 -14.044 10.102 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.022 -15.512 9.882 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.481 -13.966 9.187 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.265 -13.088 8.247 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.758 -12.938 7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.156 -13.788 6.615 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.176 -15.950 5.188 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.577 -16.318 5.350 1.00 0.00 C ATOM 1273 C ASP A 81 -8.351 -16.337 4.025 1.00 0.00 C ATOM 1274 O ASP A 81 -9.563 -16.548 4.019 1.00 0.00 O ATOM 1275 CB ASP A 81 -8.216 -15.348 6.343 1.00 0.00 C ATOM 1276 CG ASP A 81 -9.608 -15.793 6.790 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -9.772 -16.997 7.091 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -10.499 -14.915 6.829 1.00 0.00 O ATOM 0 H ASP A 81 -6.001 -15.256 4.461 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.622 -17.339 5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.572 -15.252 7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.284 -14.360 5.887 1.00 0.00 H new ATOM 1283 N GLY A 82 -7.663 -16.120 2.901 1.00 0.00 N ATOM 1284 CA GLY A 82 -8.285 -16.147 1.574 1.00 0.00 C ATOM 1285 C GLY A 82 -7.990 -14.870 0.788 1.00 0.00 C ATOM 1286 O GLY A 82 -8.113 -14.856 -0.437 1.00 0.00 O ATOM 0 H GLY A 82 -6.663 -15.921 2.885 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.919 -17.010 1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.363 -16.269 1.679 1.00 0.00 H new ATOM 1290 N ARG A 83 -7.602 -13.805 1.495 1.00 0.00 N ATOM 1291 CA ARG A 83 -7.195 -12.521 0.951 1.00 0.00 C ATOM 1292 C ARG A 83 -6.749 -11.652 2.123 1.00 0.00 C ATOM 1293 O ARG A 83 -7.334 -11.728 3.202 1.00 0.00 O ATOM 1294 CB ARG A 83 -8.339 -11.836 0.198 1.00 0.00 C ATOM 1295 CG ARG A 83 -9.537 -11.537 1.094 1.00 0.00 C ATOM 1296 CD ARG A 83 -10.238 -10.282 0.602 1.00 0.00 C ATOM 1297 NE ARG A 83 -10.796 -10.450 -0.745 1.00 0.00 N ATOM 1298 CZ ARG A 83 -11.335 -9.451 -1.443 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -11.414 -8.231 -0.925 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -11.797 -9.673 -2.672 1.00 0.00 N ATOM 0 H ARG A 83 -7.564 -13.824 2.514 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.386 -12.667 0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.976 -10.906 -0.238 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.658 -12.472 -0.628 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.229 -12.379 1.087 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.209 -11.403 2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.038 -10.020 1.294 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.533 -9.451 0.600 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.770 -11.378 -1.168 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.060 -8.052 0.015 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.828 -7.473 -1.467 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.738 -10.607 -3.078 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.210 -8.909 -3.207 1.00 0.00 H new ATOM 1314 N GLU A 84 -5.719 -10.832 1.927 1.00 0.00 N ATOM 1315 CA GLU A 84 -5.384 -9.814 2.908 1.00 0.00 C ATOM 1316 C GLU A 84 -4.946 -8.534 2.198 1.00 0.00 C ATOM 1317 O GLU A 84 -5.411 -7.453 2.553 1.00 0.00 O ATOM 1318 CB GLU A 84 -4.288 -10.251 3.884 1.00 0.00 C ATOM 1319 CG GLU A 84 -4.741 -11.318 4.884 1.00 0.00 C ATOM 1320 CD GLU A 84 -5.889 -10.830 5.775 1.00 0.00 C ATOM 1321 OE1 GLU A 84 -5.903 -9.618 6.094 1.00 0.00 O ATOM 1322 OE2 GLU A 84 -6.745 -11.666 6.136 1.00 0.00 O ATOM 0 H GLU A 84 -5.112 -10.854 1.108 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.286 -9.641 3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.441 -10.635 3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.934 -9.378 4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.058 -12.209 4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.897 -11.608 5.509 1.00 0.00 H new ATOM 1329 N LEU A 85 -4.060 -8.658 1.199 1.00 0.00 N ATOM 1330 CA LEU A 85 -3.513 -7.514 0.477 1.00 0.00 C ATOM 1331 C LEU A 85 -3.370 -7.797 -1.014 1.00 0.00 C ATOM 1332 O LEU A 85 -3.199 -8.942 -1.428 1.00 0.00 O ATOM 1333 CB LEU A 85 -2.089 -7.195 0.958 1.00 0.00 C ATOM 1334 CG LEU A 85 -1.914 -6.537 2.329 1.00 0.00 C ATOM 1335 CD1 LEU A 85 -2.843 -5.333 2.481 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -2.111 -7.538 3.461 1.00 0.00 C ATOM 0 H LEU A 85 -3.706 -9.557 0.873 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.208 -6.694 0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.524 -8.127 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.626 -6.545 0.216 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.887 -6.177 2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.699 -4.884 3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.615 -4.598 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.879 -5.657 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.979 -7.035 4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.116 -7.956 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.379 -8.340 3.369 1.00 0.00 H new ATOM 1348 N ARG A 86 -3.438 -6.716 -1.795 1.00 0.00 N ATOM 1349 CA ARG A 86 -3.088 -6.657 -3.209 1.00 0.00 C ATOM 1350 C ARG A 86 -2.556 -5.248 -3.448 1.00 0.00 C ATOM 1351 O ARG A 86 -3.326 -4.289 -3.424 1.00 0.00 O ATOM 1352 CB ARG A 86 -4.292 -6.964 -4.107 1.00 0.00 C ATOM 1353 CG ARG A 86 -4.589 -8.466 -4.207 1.00 0.00 C ATOM 1354 CD ARG A 86 -3.456 -9.249 -4.874 1.00 0.00 C ATOM 1355 NE ARG A 86 -3.327 -8.878 -6.290 1.00 0.00 N ATOM 1356 CZ ARG A 86 -2.274 -8.276 -6.847 1.00 0.00 C ATOM 1357 NH1 ARG A 86 -1.189 -7.961 -6.146 1.00 0.00 N ATOM 1358 NH2 ARG A 86 -2.306 -7.982 -8.144 1.00 0.00 N ATOM 0 H ARG A 86 -3.755 -5.815 -1.437 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.342 -7.411 -3.460 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.171 -6.449 -3.718 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.106 -6.567 -5.105 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.762 -8.865 -3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.509 -8.613 -4.773 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.518 -9.052 -4.355 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.649 -10.319 -4.790 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.112 -9.100 -6.902 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.144 -8.179 -5.151 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.402 -7.501 -6.604 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.128 -8.217 -8.700 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.508 -7.522 -8.582 1.00 0.00 H new ATOM 1372 N VAL A 87 -1.247 -5.117 -3.676 1.00 0.00 N ATOM 1373 CA VAL A 87 -0.592 -3.820 -3.785 1.00 0.00 C ATOM 1374 C VAL A 87 0.358 -3.791 -4.971 1.00 0.00 C ATOM 1375 O VAL A 87 1.218 -4.664 -5.101 1.00 0.00 O ATOM 1376 CB VAL A 87 0.225 -3.551 -2.518 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.814 -2.143 -2.522 1.00 0.00 C ATOM 1378 CG2 VAL A 87 -0.604 -3.775 -1.257 1.00 0.00 C ATOM 0 H VAL A 87 -0.615 -5.910 -3.790 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.364 -3.062 -3.918 1.00 0.00 H new ATOM 0 HB VAL A 87 1.048 -4.266 -2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.388 -1.986 -1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.468 -2.025 -3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.008 -1.411 -2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.009 -3.575 -0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.462 -3.103 -1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.952 -4.808 -1.229 1.00 0.00 H new ATOM 1388 N GLN A 88 0.190 -2.784 -5.829 1.00 0.00 N ATOM 1389 CA GLN A 88 1.028 -2.546 -6.996 1.00 0.00 C ATOM 1390 C GLN A 88 0.914 -1.088 -7.411 1.00 0.00 C ATOM 1391 O GLN A 88 0.108 -0.326 -6.878 1.00 0.00 O ATOM 1392 CB GLN A 88 0.588 -3.429 -8.174 1.00 0.00 C ATOM 1393 CG GLN A 88 0.889 -4.914 -7.959 1.00 0.00 C ATOM 1394 CD GLN A 88 0.660 -5.715 -9.234 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -0.339 -6.418 -9.362 1.00 0.00 O ATOM 1396 NE2 GLN A 88 1.580 -5.614 -10.190 1.00 0.00 N ATOM 0 H GLN A 88 -0.554 -2.095 -5.725 1.00 0.00 H new ATOM 0 HA GLN A 88 2.058 -2.789 -6.734 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.482 -3.301 -8.335 1.00 0.00 H new ATOM 0 HB3 GLN A 88 1.090 -3.091 -9.081 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.922 -5.034 -7.632 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.255 -5.304 -7.163 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.398 -5.021 -10.050 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.467 -6.130 -11.063 1.00 0.00 H new ATOM 1405 N MET A 89 1.740 -0.707 -8.381 1.00 0.00 N ATOM 1406 CA MET A 89 1.788 0.640 -8.915 1.00 0.00 C ATOM 1407 C MET A 89 0.516 0.927 -9.708 1.00 0.00 C ATOM 1408 O MET A 89 -0.039 0.031 -10.343 1.00 0.00 O ATOM 1409 CB MET A 89 3.027 0.734 -9.800 1.00 0.00 C ATOM 1410 CG MET A 89 4.251 0.493 -8.914 1.00 0.00 C ATOM 1411 SD MET A 89 4.743 1.952 -7.962 1.00 0.00 S ATOM 1412 CE MET A 89 5.936 1.171 -6.854 1.00 0.00 C ATOM 0 H MET A 89 2.405 -1.342 -8.823 1.00 0.00 H new ATOM 0 HA MET A 89 1.847 1.381 -8.118 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.983 -0.005 -10.600 1.00 0.00 H new ATOM 0 HB3 MET A 89 3.085 1.714 -10.274 1.00 0.00 H new ATOM 0 HG2 MET A 89 4.038 -0.326 -8.227 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.086 0.176 -9.538 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.327 1.914 -6.159 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.446 0.373 -6.296 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.756 0.754 -7.438 1.00 0.00 H new ATOM 1422 N ALA A 90 0.059 2.177 -9.668 1.00 0.00 N ATOM 1423 CA ALA A 90 -1.137 2.599 -10.378 1.00 0.00 C ATOM 1424 C ALA A 90 -0.904 2.635 -11.889 1.00 0.00 C ATOM 1425 O ALA A 90 0.236 2.589 -12.354 1.00 0.00 O ATOM 1426 CB ALA A 90 -1.556 3.976 -9.866 1.00 0.00 C ATOM 0 H ALA A 90 0.511 2.924 -9.140 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.933 1.878 -10.191 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.453 4.302 -10.392 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.763 3.919 -8.797 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.752 4.690 -10.043 1.00 0.00 H new ATOM 1432 N ARG A 91 -1.999 2.723 -12.649 1.00 0.00 N ATOM 1433 CA ARG A 91 -1.968 2.863 -14.100 1.00 0.00 C ATOM 1434 C ARG A 91 -3.007 3.897 -14.533 1.00 0.00 C ATOM 1435 O ARG A 91 -3.153 4.177 -15.723 1.00 0.00 O ATOM 1436 CB ARG A 91 -2.196 1.488 -14.739 1.00 0.00 C ATOM 1437 CG ARG A 91 -2.073 1.476 -16.269 1.00 0.00 C ATOM 1438 CD ARG A 91 -0.752 2.086 -16.750 1.00 0.00 C ATOM 1439 NE ARG A 91 0.405 1.381 -16.187 1.00 0.00 N ATOM 1440 CZ ARG A 91 1.669 1.780 -16.333 1.00 0.00 C ATOM 1441 NH1 ARG A 91 1.964 2.882 -17.025 1.00 0.00 N ATOM 1442 NH2 ARG A 91 2.656 1.079 -15.783 1.00 0.00 N ATOM 0 H ARG A 91 -2.943 2.698 -12.264 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.997 3.225 -14.437 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.477 0.783 -14.323 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.188 1.132 -14.463 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.150 0.450 -16.630 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.906 2.030 -16.703 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.708 2.048 -17.838 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.711 3.138 -16.466 1.00 0.00 H new ATOM 0 HE ARG A 91 0.231 0.532 -15.650 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.218 3.432 -17.451 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.936 3.175 -17.128 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.446 0.236 -15.249 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.623 1.385 -15.895 1.00 0.00 H new ATOM 1456 N TYR A 92 -3.729 4.466 -13.563 1.00 0.00 N ATOM 1457 CA TYR A 92 -4.718 5.501 -13.807 1.00 0.00 C ATOM 1458 C TYR A 92 -4.622 6.556 -12.712 1.00 0.00 C ATOM 1459 O TYR A 92 -4.143 6.260 -11.616 1.00 0.00 O ATOM 1460 CB TYR A 92 -6.121 4.891 -13.858 1.00 0.00 C ATOM 1461 CG TYR A 92 -6.257 3.686 -14.762 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -6.194 3.837 -16.155 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -6.450 2.417 -14.194 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -6.324 2.716 -16.988 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -6.582 1.293 -15.021 1.00 0.00 C ATOM 1466 CZ TYR A 92 -6.516 1.441 -16.423 1.00 0.00 C ATOM 1467 OH TYR A 92 -6.646 0.349 -17.231 1.00 0.00 O ATOM 0 H TYR A 92 -3.637 4.213 -12.579 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.523 5.973 -14.770 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.414 4.605 -12.848 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -6.823 5.657 -14.189 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.045 4.816 -16.586 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.497 2.307 -13.121 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -6.277 2.831 -18.061 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -6.734 0.316 -14.586 1.00 0.00 H new ATOM 0 HH TYR A 92 -6.771 -0.452 -16.681 1.00 0.00 H new ATOM 1477 N GLY A 93 -5.068 7.784 -12.992 1.00 0.00 N ATOM 1478 CA GLY A 93 -4.952 8.886 -12.041 1.00 0.00 C ATOM 1479 C GLY A 93 -6.316 9.419 -11.608 1.00 0.00 C ATOM 1480 O GLY A 93 -6.414 10.121 -10.602 1.00 0.00 O ATOM 0 H GLY A 93 -5.514 8.037 -13.874 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.400 8.550 -11.163 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.374 9.693 -12.491 1.00 0.00 H new ATOM 1484 N ARG A 94 -7.371 9.085 -12.358 1.00 0.00 N ATOM 1485 CA ARG A 94 -8.739 9.469 -12.047 1.00 0.00 C ATOM 1486 C ARG A 94 -9.672 8.709 -12.989 1.00 0.00 C ATOM 1487 O ARG A 94 -9.337 8.573 -14.166 1.00 0.00 O ATOM 1488 CB ARG A 94 -8.888 10.981 -12.289 1.00 0.00 C ATOM 1489 CG ARG A 94 -10.183 11.568 -11.720 1.00 0.00 C ATOM 1490 CD ARG A 94 -10.178 11.576 -10.190 1.00 0.00 C ATOM 1491 NE ARG A 94 -9.080 12.385 -9.649 1.00 0.00 N ATOM 1492 CZ ARG A 94 -8.629 12.273 -8.395 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -9.200 11.411 -7.554 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -7.609 13.018 -7.978 1.00 0.00 N ATOM 0 H ARG A 94 -7.290 8.531 -13.211 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.984 9.237 -11.011 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -8.038 11.497 -11.843 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.852 11.174 -13.361 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.314 12.585 -12.089 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.033 10.988 -12.078 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.129 11.965 -9.826 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.091 10.554 -9.822 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.637 13.069 -10.262 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.982 10.836 -7.867 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.855 11.327 -6.598 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.166 13.679 -8.616 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.270 12.928 -7.020 1.00 0.00 H new ATOM 1508 N PRO A 95 -10.827 8.210 -12.522 1.00 0.00 N ATOM 1509 CA PRO A 95 -11.831 7.637 -13.402 1.00 0.00 C ATOM 1510 C PRO A 95 -12.303 8.706 -14.386 1.00 0.00 C ATOM 1511 O PRO A 95 -12.825 9.738 -13.962 1.00 0.00 O ATOM 1512 CB PRO A 95 -12.963 7.160 -12.490 1.00 0.00 C ATOM 1513 CG PRO A 95 -12.762 7.951 -11.197 1.00 0.00 C ATOM 1514 CD PRO A 95 -11.255 8.149 -11.136 1.00 0.00 C ATOM 0 HA PRO A 95 -11.451 6.805 -13.995 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.940 7.359 -12.931 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.906 6.086 -12.313 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.292 8.903 -11.222 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.131 7.404 -10.330 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.999 9.065 -10.603 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.770 7.327 -10.609 1.00 0.00 H new ATOM 1522 N PRO A 96 -12.125 8.477 -15.697 1.00 0.00 N ATOM 1523 CA PRO A 96 -12.418 9.471 -16.710 1.00 0.00 C ATOM 1524 C PRO A 96 -13.915 9.628 -16.959 1.00 0.00 C ATOM 1525 O PRO A 96 -14.353 10.716 -17.325 1.00 0.00 O ATOM 1526 CB PRO A 96 -11.715 8.960 -17.968 1.00 0.00 C ATOM 1527 CG PRO A 96 -11.740 7.443 -17.793 1.00 0.00 C ATOM 1528 CD PRO A 96 -11.595 7.261 -16.281 1.00 0.00 C ATOM 0 HA PRO A 96 -12.074 10.458 -16.401 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -12.237 9.269 -18.874 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -10.696 9.340 -18.042 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -12.670 7.011 -18.163 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -10.926 6.962 -18.336 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.146 6.386 -15.936 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.552 7.112 -16.001 1.00 0.00 H new ATOM 1536 N ASP A 97 -14.703 8.566 -16.764 1.00 0.00 N ATOM 1537 CA ASP A 97 -16.143 8.638 -16.933 1.00 0.00 C ATOM 1538 C ASP A 97 -16.874 7.601 -16.081 1.00 0.00 C ATOM 1539 O ASP A 97 -17.069 6.456 -16.487 1.00 0.00 O ATOM 1540 CB ASP A 97 -16.498 8.512 -18.414 1.00 0.00 C ATOM 1541 CG ASP A 97 -16.224 7.134 -19.020 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -15.054 6.696 -18.976 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -17.195 6.532 -19.528 1.00 0.00 O ATOM 0 H ASP A 97 -14.358 7.646 -16.488 1.00 0.00 H new ATOM 0 HA ASP A 97 -16.481 9.612 -16.578 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -17.555 8.747 -18.542 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.935 9.259 -18.974 1.00 0.00 H new ATOM 1548 N SER A 98 -17.281 8.027 -14.882 1.00 0.00 N ATOM 1549 CA SER A 98 -18.057 7.198 -13.967 1.00 0.00 C ATOM 1550 C SER A 98 -19.037 8.021 -13.137 1.00 0.00 C ATOM 1551 O SER A 98 -19.861 7.444 -12.430 1.00 0.00 O ATOM 1552 CB SER A 98 -17.114 6.463 -13.011 1.00 0.00 C ATOM 1553 OG SER A 98 -16.178 5.688 -13.733 1.00 0.00 O ATOM 0 H SER A 98 -17.079 8.960 -14.521 1.00 0.00 H new ATOM 0 HA SER A 98 -18.625 6.493 -14.575 1.00 0.00 H new ATOM 0 HB2 SER A 98 -16.590 7.184 -12.383 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.690 5.820 -12.346 1.00 0.00 H new ATOM 0 HG SER A 98 -15.583 5.227 -13.106 1.00 0.00 H new