USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 755 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 ASN : amide:sc= -0.153 X(o=-4.2,f=-4) USER MOD Set 1.2: A 88 MET CE :methyl -147:sc= -4.06! (180deg=-5.71!) USER MOD Set 2.1: A 30 HIS : no HE2:sc= -21.5! C(o=-22!,f=-23!) USER MOD Set 2.2: A 41 GLN :FLIP amide:sc= -0.687 F(o=-25,f=-22) USER MOD Single : A 8 TYR OH : rot 30:sc= -0.552 USER MOD Single : A 11 THR OG1 : rot 180:sc=-0.00543 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -165:sc= -0.444 (180deg=-1.75!) USER MOD Single : A 29 MET CE :methyl 172:sc= 0 (180deg=-0.0523) USER MOD Single : A 31 THR OG1 : rot -110:sc= -1.39! USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0431 USER MOD Single : A 47 SER OG : rot -22:sc= -1.75 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00187 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 24:sc= 0.448 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS :FLIP no HE2:sc= -0.374 F(o=-0.9,f=-0.37) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.219) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS :FLIP no HD1:sc= -3.07 F(o=-3.9!,f=-3.1) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 8.904 3.428 -14.697 1.00 0.00 N ATOM 60 CA GLY A 7 8.291 2.757 -13.564 1.00 0.00 C ATOM 61 C GLY A 7 7.260 1.726 -14.029 1.00 0.00 C ATOM 62 O GLY A 7 6.690 1.858 -15.111 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.060 2.265 -12.969 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.810 3.492 -12.918 1.00 0.00 H new ATOM 66 N TYR A 8 7.053 0.723 -13.189 1.00 0.00 N ATOM 67 CA TYR A 8 6.101 -0.330 -13.501 1.00 0.00 C ATOM 68 C TYR A 8 5.140 -0.563 -12.333 1.00 0.00 C ATOM 69 O TYR A 8 5.532 -0.460 -11.172 1.00 0.00 O ATOM 70 CB TYR A 8 6.930 -1.596 -13.724 1.00 0.00 C ATOM 71 CG TYR A 8 7.805 -1.985 -12.531 1.00 0.00 C ATOM 72 CD1 TYR A 8 9.071 -1.452 -12.400 1.00 0.00 C ATOM 73 CD2 TYR A 8 7.328 -2.870 -11.585 1.00 0.00 C ATOM 74 CE1 TYR A 8 9.895 -1.818 -11.277 1.00 0.00 C ATOM 75 CE2 TYR A 8 8.152 -3.236 -10.462 1.00 0.00 C ATOM 76 CZ TYR A 8 9.394 -2.692 -10.363 1.00 0.00 C ATOM 77 OH TYR A 8 10.172 -3.038 -9.303 1.00 0.00 O ATOM 0 H TYR A 8 7.528 0.617 -12.293 1.00 0.00 H new ATOM 0 HA TYR A 8 5.505 -0.062 -14.373 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.257 -2.423 -13.953 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.567 -1.452 -14.597 1.00 0.00 H new ATOM 0 HD1 TYR A 8 9.444 -0.760 -13.140 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.337 -3.288 -11.687 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.888 -1.408 -11.163 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.791 -3.927 -9.715 1.00 0.00 H new ATOM 0 HH TYR A 8 10.770 -2.294 -9.080 1.00 0.00 H new ATOM 87 N VAL A 9 3.900 -0.873 -12.682 1.00 0.00 N ATOM 88 CA VAL A 9 2.880 -1.122 -11.678 1.00 0.00 C ATOM 89 C VAL A 9 2.825 -2.620 -11.373 1.00 0.00 C ATOM 90 O VAL A 9 3.212 -3.441 -12.204 1.00 0.00 O ATOM 91 CB VAL A 9 1.537 -0.557 -12.145 1.00 0.00 C ATOM 92 CG1 VAL A 9 0.484 -0.660 -11.039 1.00 0.00 C ATOM 93 CG2 VAL A 9 1.687 0.888 -12.626 1.00 0.00 C ATOM 0 H VAL A 9 3.579 -0.957 -13.646 1.00 0.00 H new ATOM 0 HA VAL A 9 3.127 -0.610 -10.748 1.00 0.00 H new ATOM 0 HB VAL A 9 1.197 -1.157 -12.989 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.461 -0.251 -11.397 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.346 -1.706 -10.764 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.816 -0.096 -10.167 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.718 1.265 -12.952 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.061 1.506 -11.810 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.389 0.923 -13.459 1.00 0.00 H new ATOM 103 N PHE A 10 2.340 -2.932 -10.180 1.00 0.00 N ATOM 104 CA PHE A 10 2.230 -4.317 -9.755 1.00 0.00 C ATOM 105 C PHE A 10 1.055 -4.503 -8.793 1.00 0.00 C ATOM 106 O PHE A 10 0.837 -3.679 -7.906 1.00 0.00 O ATOM 107 CB PHE A 10 3.529 -4.667 -9.028 1.00 0.00 C ATOM 108 CG PHE A 10 3.675 -4.001 -7.659 1.00 0.00 C ATOM 109 CD1 PHE A 10 4.181 -2.742 -7.565 1.00 0.00 C ATOM 110 CD2 PHE A 10 3.300 -4.668 -6.535 1.00 0.00 C ATOM 111 CE1 PHE A 10 4.316 -2.123 -6.294 1.00 0.00 C ATOM 112 CE2 PHE A 10 3.435 -4.050 -5.264 1.00 0.00 C ATOM 113 CZ PHE A 10 3.940 -2.790 -5.170 1.00 0.00 C ATOM 0 H PHE A 10 2.019 -2.249 -9.494 1.00 0.00 H new ATOM 0 HA PHE A 10 2.063 -4.959 -10.620 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.583 -5.748 -8.902 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.373 -4.377 -9.654 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.480 -2.213 -8.458 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.899 -5.668 -6.609 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.717 -1.123 -6.220 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.137 -4.580 -4.372 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.042 -2.320 -4.203 1.00 0.00 H new ATOM 123 N THR A 11 0.328 -5.591 -9.001 1.00 0.00 N ATOM 124 CA THR A 11 -0.819 -5.897 -8.163 1.00 0.00 C ATOM 125 C THR A 11 -0.377 -6.655 -6.909 1.00 0.00 C ATOM 126 O THR A 11 0.667 -7.305 -6.908 1.00 0.00 O ATOM 127 CB THR A 11 -1.834 -6.665 -9.012 1.00 0.00 C ATOM 128 OG1 THR A 11 -2.208 -5.739 -10.028 1.00 0.00 O ATOM 129 CG2 THR A 11 -3.137 -6.940 -8.260 1.00 0.00 C ATOM 0 H THR A 11 0.511 -6.272 -9.738 1.00 0.00 H new ATOM 0 HA THR A 11 -1.299 -4.987 -7.802 1.00 0.00 H new ATOM 0 HB THR A 11 -1.396 -7.609 -9.336 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.864 -6.156 -10.625 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.822 -7.487 -8.907 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.926 -7.534 -7.371 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.593 -5.995 -7.965 1.00 0.00 H new ATOM 137 N VAL A 12 -1.194 -6.547 -5.872 1.00 0.00 N ATOM 138 CA VAL A 12 -0.901 -7.214 -4.615 1.00 0.00 C ATOM 139 C VAL A 12 -2.163 -7.916 -4.109 1.00 0.00 C ATOM 140 O VAL A 12 -3.135 -7.261 -3.737 1.00 0.00 O ATOM 141 CB VAL A 12 -0.332 -6.210 -3.611 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.703 -6.874 -2.700 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.265 -4.997 -4.326 1.00 0.00 C ATOM 0 H VAL A 12 -2.059 -6.007 -5.877 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.138 -7.979 -4.757 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.153 -5.859 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.092 -6.139 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.234 -7.690 -2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.521 -7.266 -3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.662 -4.299 -3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.068 -5.323 -4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.509 -4.503 -4.913 1.00 0.00 H new ATOM 153 N GLU A 13 -2.106 -9.240 -4.112 1.00 0.00 N ATOM 154 CA GLU A 13 -3.231 -10.038 -3.657 1.00 0.00 C ATOM 155 C GLU A 13 -2.966 -10.579 -2.251 1.00 0.00 C ATOM 156 O GLU A 13 -2.029 -11.349 -2.044 1.00 0.00 O ATOM 157 CB GLU A 13 -3.526 -11.177 -4.635 1.00 0.00 C ATOM 158 CG GLU A 13 -4.459 -10.711 -5.755 1.00 0.00 C ATOM 159 CD GLU A 13 -5.177 -11.898 -6.401 1.00 0.00 C ATOM 160 OE1 GLU A 13 -4.461 -12.759 -6.957 1.00 0.00 O ATOM 161 OE2 GLU A 13 -6.424 -11.917 -6.324 1.00 0.00 O ATOM 0 H GLU A 13 -1.298 -9.780 -4.422 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.112 -9.398 -3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.593 -11.544 -5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.981 -12.011 -4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.193 -10.012 -5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.886 -10.173 -6.510 1.00 0.00 H new ATOM 168 N LEU A 14 -3.807 -10.153 -1.319 1.00 0.00 N ATOM 169 CA LEU A 14 -3.675 -10.585 0.062 1.00 0.00 C ATOM 170 C LEU A 14 -5.024 -11.106 0.560 1.00 0.00 C ATOM 171 O LEU A 14 -6.015 -11.071 -0.168 1.00 0.00 O ATOM 172 CB LEU A 14 -3.095 -9.460 0.921 1.00 0.00 C ATOM 173 CG LEU A 14 -1.834 -8.783 0.379 1.00 0.00 C ATOM 174 CD1 LEU A 14 -1.967 -7.260 0.425 1.00 0.00 C ATOM 175 CD2 LEU A 14 -0.587 -9.272 1.119 1.00 0.00 C ATOM 0 H LEU A 14 -4.582 -9.513 -1.494 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.967 -11.410 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.863 -8.698 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.871 -9.863 1.909 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.718 -9.065 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.058 -6.803 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.818 -6.951 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.120 -6.939 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.295 -8.775 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.679 -9.040 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.487 -10.350 0.991 1.00 0.00 H new ATOM 187 N GLU A 15 -5.019 -11.578 1.798 1.00 0.00 N ATOM 188 CA GLU A 15 -6.231 -12.106 2.402 1.00 0.00 C ATOM 189 C GLU A 15 -6.654 -11.237 3.589 1.00 0.00 C ATOM 190 O GLU A 15 -5.978 -11.211 4.616 1.00 0.00 O ATOM 191 CB GLU A 15 -6.041 -13.563 2.829 1.00 0.00 C ATOM 192 CG GLU A 15 -7.166 -14.012 3.764 1.00 0.00 C ATOM 193 CD GLU A 15 -7.245 -15.538 3.833 1.00 0.00 C ATOM 194 OE1 GLU A 15 -7.277 -16.155 2.746 1.00 0.00 O ATOM 195 OE2 GLU A 15 -7.272 -16.054 4.972 1.00 0.00 O ATOM 0 H GLU A 15 -4.195 -11.606 2.399 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.026 -12.081 1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.018 -14.204 1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.080 -13.676 3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.997 -13.608 4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.117 -13.610 3.414 1.00 0.00 H new ATOM 202 N ARG A 16 -7.771 -10.548 3.408 1.00 0.00 N ATOM 203 CA ARG A 16 -8.293 -9.681 4.450 1.00 0.00 C ATOM 204 C ARG A 16 -8.100 -10.327 5.824 1.00 0.00 C ATOM 205 O ARG A 16 -8.700 -11.359 6.118 1.00 0.00 O ATOM 206 CB ARG A 16 -9.780 -9.393 4.234 1.00 0.00 C ATOM 207 CG ARG A 16 -10.113 -7.940 4.580 1.00 0.00 C ATOM 208 CD ARG A 16 -11.612 -7.671 4.433 1.00 0.00 C ATOM 209 NE ARG A 16 -12.194 -7.320 5.747 1.00 0.00 N ATOM 210 CZ ARG A 16 -13.403 -6.765 5.909 1.00 0.00 C ATOM 211 NH1 ARG A 16 -14.165 -6.495 4.841 1.00 0.00 N ATOM 212 NH2 ARG A 16 -13.850 -6.480 7.140 1.00 0.00 N ATOM 0 H ARG A 16 -8.329 -10.573 2.555 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.743 -8.741 4.406 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.046 -9.594 3.196 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.377 -10.064 4.851 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.800 -7.725 5.602 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.554 -7.270 3.927 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.776 -6.859 3.725 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.110 -8.552 4.029 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.640 -7.512 6.582 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.825 -6.712 3.904 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.085 -6.073 4.965 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.270 -6.686 7.953 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.770 -6.058 7.263 1.00 0.00 H new ATOM 226 N GLY A 17 -7.259 -9.692 6.628 1.00 0.00 N ATOM 227 CA GLY A 17 -6.979 -10.192 7.963 1.00 0.00 C ATOM 228 C GLY A 17 -8.159 -9.935 8.903 1.00 0.00 C ATOM 229 O GLY A 17 -9.225 -9.507 8.464 1.00 0.00 O ATOM 0 H GLY A 17 -6.763 -8.836 6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.771 -11.261 7.919 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.084 -9.709 8.356 1.00 0.00 H new ATOM 233 N PRO A 18 -7.922 -10.214 10.213 1.00 0.00 N ATOM 234 CA PRO A 18 -8.952 -10.017 11.219 1.00 0.00 C ATOM 235 C PRO A 18 -9.134 -8.531 11.533 1.00 0.00 C ATOM 236 O PRO A 18 -10.142 -8.136 12.117 1.00 0.00 O ATOM 237 CB PRO A 18 -8.488 -10.826 12.420 1.00 0.00 C ATOM 238 CG PRO A 18 -7.001 -11.065 12.212 1.00 0.00 C ATOM 239 CD PRO A 18 -6.671 -10.722 10.769 1.00 0.00 C ATOM 0 HA PRO A 18 -9.935 -10.351 10.886 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.671 -10.286 13.349 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.029 -11.770 12.488 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.416 -10.448 12.894 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.748 -12.104 12.425 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.880 -9.975 10.711 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.322 -11.599 10.223 1.00 0.00 H new ATOM 247 N SER A 19 -8.144 -7.748 11.132 1.00 0.00 N ATOM 248 CA SER A 19 -8.183 -6.314 11.363 1.00 0.00 C ATOM 249 C SER A 19 -8.092 -5.566 10.031 1.00 0.00 C ATOM 250 O SER A 19 -7.603 -4.439 9.980 1.00 0.00 O ATOM 251 CB SER A 19 -7.052 -5.876 12.296 1.00 0.00 C ATOM 252 OG SER A 19 -7.408 -6.015 13.669 1.00 0.00 O ATOM 0 H SER A 19 -7.309 -8.079 10.648 1.00 0.00 H new ATOM 0 HA SER A 19 -9.130 -6.071 11.845 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.162 -6.470 12.090 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.795 -4.837 12.091 1.00 0.00 H new ATOM 0 HG SER A 19 -6.659 -5.727 14.232 1.00 0.00 H new ATOM 258 N GLY A 20 -8.572 -6.224 8.986 1.00 0.00 N ATOM 259 CA GLY A 20 -8.552 -5.636 7.658 1.00 0.00 C ATOM 260 C GLY A 20 -7.131 -5.614 7.090 1.00 0.00 C ATOM 261 O GLY A 20 -6.710 -4.622 6.498 1.00 0.00 O ATOM 0 H GLY A 20 -8.977 -7.159 9.032 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.204 -6.204 6.995 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.947 -4.621 7.700 1.00 0.00 H new ATOM 265 N LEU A 21 -6.431 -6.722 7.289 1.00 0.00 N ATOM 266 CA LEU A 21 -5.067 -6.842 6.804 1.00 0.00 C ATOM 267 C LEU A 21 -4.116 -6.169 7.796 1.00 0.00 C ATOM 268 O LEU A 21 -3.460 -6.844 8.588 1.00 0.00 O ATOM 269 CB LEU A 21 -4.955 -6.298 5.379 1.00 0.00 C ATOM 270 CG LEU A 21 -6.158 -6.552 4.468 1.00 0.00 C ATOM 271 CD1 LEU A 21 -6.680 -5.243 3.872 1.00 0.00 C ATOM 272 CD2 LEU A 21 -5.819 -7.579 3.385 1.00 0.00 C ATOM 0 H LEU A 21 -6.783 -7.544 7.779 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.775 -7.891 6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.787 -5.222 5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.072 -6.735 4.913 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.961 -6.974 5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.535 -5.452 3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.986 -4.574 4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.892 -4.770 3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.691 -7.741 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.993 -7.208 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.531 -8.520 3.853 1.00 0.00 H new ATOM 284 N GLY A 22 -4.072 -4.847 7.720 1.00 0.00 N ATOM 285 CA GLY A 22 -3.212 -4.075 8.601 1.00 0.00 C ATOM 286 C GLY A 22 -2.368 -3.077 7.807 1.00 0.00 C ATOM 287 O GLY A 22 -1.147 -3.208 7.736 1.00 0.00 O ATOM 0 H GLY A 22 -4.618 -4.291 7.062 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.819 -3.542 9.332 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.559 -4.747 9.158 1.00 0.00 H new ATOM 291 N MET A 23 -3.052 -2.100 7.229 1.00 0.00 N ATOM 292 CA MET A 23 -2.381 -1.080 6.442 1.00 0.00 C ATOM 293 C MET A 23 -2.924 0.312 6.772 1.00 0.00 C ATOM 294 O MET A 23 -4.135 0.523 6.786 1.00 0.00 O ATOM 295 CB MET A 23 -2.583 -1.367 4.953 1.00 0.00 C ATOM 296 CG MET A 23 -1.246 -1.640 4.261 1.00 0.00 C ATOM 297 SD MET A 23 -1.481 -1.730 2.494 1.00 0.00 S ATOM 298 CE MET A 23 -3.003 -2.659 2.430 1.00 0.00 C ATOM 0 H MET A 23 -4.065 -1.994 7.290 1.00 0.00 H new ATOM 0 HA MET A 23 -1.318 -1.102 6.684 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.242 -2.227 4.831 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.075 -0.518 4.479 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.534 -0.850 4.502 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.821 -2.574 4.628 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.158 -3.035 1.419 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.947 -3.498 3.124 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.836 -2.013 2.708 1.00 0.00 H new ATOM 308 N GLY A 24 -2.000 1.227 7.029 1.00 0.00 N ATOM 309 CA GLY A 24 -2.371 2.593 7.358 1.00 0.00 C ATOM 310 C GLY A 24 -2.283 3.496 6.126 1.00 0.00 C ATOM 311 O GLY A 24 -1.271 4.160 5.909 1.00 0.00 O ATOM 0 H GLY A 24 -0.996 1.049 7.016 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.386 2.612 7.756 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.714 2.974 8.140 1.00 0.00 H new ATOM 315 N LEU A 25 -3.358 3.492 5.351 1.00 0.00 N ATOM 316 CA LEU A 25 -3.416 4.303 4.147 1.00 0.00 C ATOM 317 C LEU A 25 -3.842 5.725 4.515 1.00 0.00 C ATOM 318 O LEU A 25 -4.740 5.916 5.333 1.00 0.00 O ATOM 319 CB LEU A 25 -4.316 3.643 3.100 1.00 0.00 C ATOM 320 CG LEU A 25 -4.032 2.169 2.804 1.00 0.00 C ATOM 321 CD1 LEU A 25 -2.526 1.904 2.734 1.00 0.00 C ATOM 322 CD2 LEU A 25 -4.727 1.262 3.821 1.00 0.00 C ATOM 0 H LEU A 25 -4.196 2.940 5.534 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.430 4.374 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.351 3.734 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.228 4.203 2.169 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.447 1.931 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.352 0.849 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.086 2.510 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.066 2.164 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.509 0.220 3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.364 1.493 4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.804 1.426 3.778 1.00 0.00 H new ATOM 334 N ILE A 26 -3.176 6.687 3.893 1.00 0.00 N ATOM 335 CA ILE A 26 -3.475 8.087 4.145 1.00 0.00 C ATOM 336 C ILE A 26 -3.329 8.877 2.843 1.00 0.00 C ATOM 337 O ILE A 26 -2.497 8.544 2.000 1.00 0.00 O ATOM 338 CB ILE A 26 -2.610 8.621 5.289 1.00 0.00 C ATOM 339 CG1 ILE A 26 -2.939 10.086 5.587 1.00 0.00 C ATOM 340 CG2 ILE A 26 -1.123 8.417 4.994 1.00 0.00 C ATOM 341 CD1 ILE A 26 -3.075 10.322 7.092 1.00 0.00 C ATOM 0 H ILE A 26 -2.431 6.525 3.216 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.507 8.204 4.475 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.841 8.049 6.188 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.155 10.728 5.184 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.867 10.363 5.086 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.531 8.805 5.823 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.919 7.353 4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.858 8.947 4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.309 11.371 7.276 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.876 9.697 7.487 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.138 10.067 7.586 1.00 0.00 H new ATOM 353 N ASP A 27 -4.151 9.909 2.719 1.00 0.00 N ATOM 354 CA ASP A 27 -4.124 10.750 1.534 1.00 0.00 C ATOM 355 C ASP A 27 -2.902 11.669 1.594 1.00 0.00 C ATOM 356 O ASP A 27 -2.374 11.937 2.672 1.00 0.00 O ATOM 357 CB ASP A 27 -5.373 11.629 1.454 1.00 0.00 C ATOM 358 CG ASP A 27 -5.802 12.266 2.778 1.00 0.00 C ATOM 359 OD1 ASP A 27 -4.954 12.290 3.697 1.00 0.00 O ATOM 360 OD2 ASP A 27 -6.967 12.714 2.841 1.00 0.00 O ATOM 0 H ASP A 27 -4.840 10.182 3.420 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.084 10.100 0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.195 12.422 0.728 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.198 11.027 1.073 1.00 0.00 H new ATOM 365 N GLY A 28 -2.488 12.126 0.421 1.00 0.00 N ATOM 366 CA GLY A 28 -1.338 13.009 0.326 1.00 0.00 C ATOM 367 C GLY A 28 -1.730 14.455 0.636 1.00 0.00 C ATOM 368 O GLY A 28 -1.268 15.383 -0.026 1.00 0.00 O ATOM 0 H GLY A 28 -2.928 11.901 -0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.565 12.681 1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.912 12.951 -0.676 1.00 0.00 H new ATOM 372 N MET A 29 -2.577 14.601 1.644 1.00 0.00 N ATOM 373 CA MET A 29 -3.036 15.919 2.051 1.00 0.00 C ATOM 374 C MET A 29 -2.334 16.373 3.331 1.00 0.00 C ATOM 375 O MET A 29 -1.789 17.475 3.387 1.00 0.00 O ATOM 376 CB MET A 29 -4.548 15.883 2.283 1.00 0.00 C ATOM 377 CG MET A 29 -5.302 15.722 0.961 1.00 0.00 C ATOM 378 SD MET A 29 -6.080 17.264 0.510 1.00 0.00 S ATOM 379 CE MET A 29 -4.869 17.899 -0.637 1.00 0.00 C ATOM 0 H MET A 29 -2.958 13.829 2.191 1.00 0.00 H new ATOM 0 HA MET A 29 -2.797 16.627 1.258 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.798 15.058 2.951 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.866 16.801 2.777 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.613 15.409 0.176 1.00 0.00 H new ATOM 0 HG3 MET A 29 -6.055 14.939 1.055 1.00 0.00 H new ATOM 0 HE1 MET A 29 -5.262 18.791 -1.124 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.955 18.152 -0.099 1.00 0.00 H new ATOM 0 HE3 MET A 29 -4.649 17.142 -1.390 1.00 0.00 H new ATOM 389 N HIS A 30 -2.369 15.503 4.329 1.00 0.00 N ATOM 390 CA HIS A 30 -1.742 15.801 5.605 1.00 0.00 C ATOM 391 C HIS A 30 -0.234 15.563 5.504 1.00 0.00 C ATOM 392 O HIS A 30 0.546 16.196 6.215 1.00 0.00 O ATOM 393 CB HIS A 30 -2.395 14.998 6.732 1.00 0.00 C ATOM 394 CG HIS A 30 -1.757 13.651 6.975 1.00 0.00 C ATOM 395 ND1 HIS A 30 -1.477 13.172 8.243 1.00 0.00 N ATOM 396 CD2 HIS A 30 -1.348 12.687 6.101 1.00 0.00 C ATOM 397 CE1 HIS A 30 -0.924 11.973 8.125 1.00 0.00 C ATOM 398 NE2 HIS A 30 -0.845 11.675 6.797 1.00 0.00 N ATOM 0 H HIS A 30 -2.822 14.591 4.280 1.00 0.00 H new ATOM 0 HA HIS A 30 -1.893 16.852 5.852 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.351 15.581 7.652 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.449 14.852 6.497 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -1.664 13.659 9.119 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.421 12.738 5.025 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -0.594 11.343 8.938 1.00 0.00 H new ATOM 406 N THR A 31 0.131 14.651 4.616 1.00 0.00 N ATOM 407 CA THR A 31 1.531 14.322 4.413 1.00 0.00 C ATOM 408 C THR A 31 2.207 15.380 3.539 1.00 0.00 C ATOM 409 O THR A 31 1.540 16.075 2.773 1.00 0.00 O ATOM 410 CB THR A 31 1.605 12.911 3.825 1.00 0.00 C ATOM 411 OG1 THR A 31 0.630 12.916 2.787 1.00 0.00 O ATOM 412 CG2 THR A 31 1.106 11.843 4.801 1.00 0.00 C ATOM 0 H THR A 31 -0.519 14.129 4.028 1.00 0.00 H new ATOM 0 HA THR A 31 2.078 14.326 5.356 1.00 0.00 H new ATOM 0 HB THR A 31 2.634 12.690 3.540 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.126 12.348 3.045 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.180 10.861 4.334 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.716 11.862 5.704 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.067 12.044 5.060 1.00 0.00 H new ATOM 420 N HIS A 32 3.521 15.470 3.683 1.00 0.00 N ATOM 421 CA HIS A 32 4.293 16.432 2.916 1.00 0.00 C ATOM 422 C HIS A 32 3.919 16.329 1.436 1.00 0.00 C ATOM 423 O HIS A 32 4.106 17.278 0.676 1.00 0.00 O ATOM 424 CB HIS A 32 5.792 16.246 3.162 1.00 0.00 C ATOM 425 CG HIS A 32 6.441 17.395 3.897 1.00 0.00 C ATOM 426 ND1 HIS A 32 7.417 18.194 3.327 1.00 0.00 N ATOM 427 CD2 HIS A 32 6.242 17.871 5.160 1.00 0.00 C ATOM 428 CE1 HIS A 32 7.783 19.105 4.216 1.00 0.00 C ATOM 429 NE2 HIS A 32 7.055 18.904 5.351 1.00 0.00 N ATOM 0 H HIS A 32 4.070 14.892 4.319 1.00 0.00 H new ATOM 0 HA HIS A 32 4.051 17.442 3.247 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.945 15.330 3.733 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.293 16.112 2.203 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.543 17.475 5.882 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.528 19.873 4.068 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.123 19.456 6.206 1.00 0.00 H new ATOM 437 N LEU A 33 3.396 15.167 1.071 1.00 0.00 N ATOM 438 CA LEU A 33 2.994 14.927 -0.304 1.00 0.00 C ATOM 439 C LEU A 33 2.369 16.200 -0.878 1.00 0.00 C ATOM 440 O LEU A 33 2.811 16.702 -1.910 1.00 0.00 O ATOM 441 CB LEU A 33 2.081 13.702 -0.389 1.00 0.00 C ATOM 442 CG LEU A 33 2.200 12.864 -1.664 1.00 0.00 C ATOM 443 CD1 LEU A 33 3.580 12.212 -1.764 1.00 0.00 C ATOM 444 CD2 LEU A 33 1.072 11.834 -1.750 1.00 0.00 C ATOM 0 H LEU A 33 3.242 14.382 1.704 1.00 0.00 H new ATOM 0 HA LEU A 33 3.863 14.692 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.289 13.058 0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.048 14.036 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 33 2.095 13.529 -2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.638 11.622 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.348 12.986 -1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.739 11.563 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.180 11.252 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.121 11.168 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.110 12.347 -1.758 1.00 0.00 H new ATOM 456 N GLY A 34 1.350 16.686 -0.184 1.00 0.00 N ATOM 457 CA GLY A 34 0.660 17.891 -0.612 1.00 0.00 C ATOM 458 C GLY A 34 -0.146 17.638 -1.887 1.00 0.00 C ATOM 459 O GLY A 34 -0.433 18.569 -2.639 1.00 0.00 O ATOM 0 H GLY A 34 0.986 16.267 0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.005 18.234 0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.384 18.686 -0.787 1.00 0.00 H new ATOM 463 N ALA A 35 -0.487 16.375 -2.093 1.00 0.00 N ATOM 464 CA ALA A 35 -1.254 15.988 -3.265 1.00 0.00 C ATOM 465 C ALA A 35 -2.322 14.971 -2.857 1.00 0.00 C ATOM 466 O ALA A 35 -2.084 14.127 -1.994 1.00 0.00 O ATOM 467 CB ALA A 35 -0.308 15.441 -4.336 1.00 0.00 C ATOM 0 H ALA A 35 -0.246 15.606 -1.468 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.766 16.851 -3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.883 15.151 -5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.413 16.210 -4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.221 14.572 -3.945 1.00 0.00 H new ATOM 473 N PRO A 36 -3.507 15.089 -3.513 1.00 0.00 N ATOM 474 CA PRO A 36 -4.613 14.190 -3.228 1.00 0.00 C ATOM 475 C PRO A 36 -4.371 12.810 -3.842 1.00 0.00 C ATOM 476 O PRO A 36 -3.898 12.703 -4.972 1.00 0.00 O ATOM 477 CB PRO A 36 -5.841 14.885 -3.795 1.00 0.00 C ATOM 478 CG PRO A 36 -5.318 15.917 -4.781 1.00 0.00 C ATOM 479 CD PRO A 36 -3.825 16.076 -4.541 1.00 0.00 C ATOM 0 HA PRO A 36 -4.736 13.999 -2.162 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.500 14.171 -4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -6.421 15.360 -3.004 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.508 15.597 -5.805 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.830 16.869 -4.644 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -3.256 15.895 -5.453 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.583 17.086 -4.209 1.00 0.00 H new ATOM 487 N GLY A 37 -4.705 11.787 -3.069 1.00 0.00 N ATOM 488 CA GLY A 37 -4.530 10.418 -3.522 1.00 0.00 C ATOM 489 C GLY A 37 -4.489 9.449 -2.338 1.00 0.00 C ATOM 490 O GLY A 37 -4.993 9.759 -1.260 1.00 0.00 O ATOM 0 H GLY A 37 -5.096 11.879 -2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.346 10.146 -4.191 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.607 10.336 -4.095 1.00 0.00 H new ATOM 494 N LEU A 38 -3.883 8.296 -2.579 1.00 0.00 N ATOM 495 CA LEU A 38 -3.769 7.280 -1.547 1.00 0.00 C ATOM 496 C LEU A 38 -2.329 6.767 -1.499 1.00 0.00 C ATOM 497 O LEU A 38 -1.675 6.644 -2.533 1.00 0.00 O ATOM 498 CB LEU A 38 -4.808 6.178 -1.763 1.00 0.00 C ATOM 499 CG LEU A 38 -6.135 6.351 -1.020 1.00 0.00 C ATOM 500 CD1 LEU A 38 -5.899 6.606 0.470 1.00 0.00 C ATOM 501 CD2 LEU A 38 -6.984 7.450 -1.662 1.00 0.00 C ATOM 0 H LEU A 38 -3.466 8.043 -3.475 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.989 7.705 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.018 6.109 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.368 5.227 -1.463 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.697 5.421 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.858 6.725 0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.363 5.761 0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.308 7.513 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.921 7.552 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.441 8.394 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.196 7.187 -2.698 1.00 0.00 H new ATOM 513 N TYR A 39 -1.877 6.480 -0.287 1.00 0.00 N ATOM 514 CA TYR A 39 -0.526 5.983 -0.090 1.00 0.00 C ATOM 515 C TYR A 39 -0.389 5.288 1.266 1.00 0.00 C ATOM 516 O TYR A 39 -1.023 5.690 2.240 1.00 0.00 O ATOM 517 CB TYR A 39 0.384 7.213 -0.114 1.00 0.00 C ATOM 518 CG TYR A 39 0.038 8.221 -1.211 1.00 0.00 C ATOM 519 CD1 TYR A 39 -0.922 9.186 -0.983 1.00 0.00 C ATOM 520 CD2 TYR A 39 0.686 8.167 -2.428 1.00 0.00 C ATOM 521 CE1 TYR A 39 -1.248 10.136 -2.016 1.00 0.00 C ATOM 522 CE2 TYR A 39 0.361 9.116 -3.461 1.00 0.00 C ATOM 523 CZ TYR A 39 -0.590 10.054 -3.204 1.00 0.00 C ATOM 524 OH TYR A 39 -0.898 10.950 -4.179 1.00 0.00 O ATOM 0 H TYR A 39 -2.423 6.582 0.569 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.268 5.257 -0.861 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.329 7.712 0.854 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.415 6.887 -0.247 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.429 9.229 -0.030 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.438 7.412 -2.606 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.998 10.896 -1.851 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.861 9.084 -4.418 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.350 10.773 -4.972 1.00 0.00 H new ATOM 534 N ILE A 40 0.443 4.257 1.286 1.00 0.00 N ATOM 535 CA ILE A 40 0.671 3.503 2.507 1.00 0.00 C ATOM 536 C ILE A 40 1.419 4.381 3.511 1.00 0.00 C ATOM 537 O ILE A 40 2.376 5.065 3.151 1.00 0.00 O ATOM 538 CB ILE A 40 1.379 2.183 2.196 1.00 0.00 C ATOM 539 CG1 ILE A 40 0.528 1.307 1.274 1.00 0.00 C ATOM 540 CG2 ILE A 40 1.766 1.452 3.484 1.00 0.00 C ATOM 541 CD1 ILE A 40 1.105 -0.107 1.175 1.00 0.00 C ATOM 0 H ILE A 40 0.967 3.926 0.476 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.277 3.228 2.969 1.00 0.00 H new ATOM 0 HB ILE A 40 2.303 2.409 1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.494 1.261 1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.482 1.755 0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.268 0.517 3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.438 2.079 4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.869 1.239 4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.482 -0.709 0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.118 -0.059 0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.127 -0.561 2.166 1.00 0.00 H new ATOM 553 N GLN A 41 0.955 4.333 4.751 1.00 0.00 N ATOM 554 CA GLN A 41 1.568 5.116 5.811 1.00 0.00 C ATOM 555 C GLN A 41 2.310 4.200 6.786 1.00 0.00 C ATOM 556 O GLN A 41 3.330 4.588 7.355 1.00 0.00 O ATOM 557 CB GLN A 41 0.525 5.964 6.541 1.00 0.00 C ATOM 558 CG GLN A 41 1.190 7.096 7.326 1.00 0.00 C ATOM 559 CD GLN A 41 0.237 7.666 8.379 1.00 0.00 C ATOM 560 OE1 GLN A 41 -0.127 8.926 8.154 1.00 0.00 O flip ATOM 561 NE2 GLN A 41 -0.142 7.007 9.332 1.00 0.00 N flip ATOM 0 H GLN A 41 0.161 3.764 5.046 1.00 0.00 H new ATOM 0 HA GLN A 41 2.290 5.797 5.361 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.179 6.381 5.821 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.050 5.334 7.220 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.094 6.726 7.810 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.497 7.887 6.642 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.176 6.044 9.445 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.777 7.418 10.016 1.00 0.00 H new ATOM 570 N THR A 42 1.770 3.001 6.950 1.00 0.00 N ATOM 571 CA THR A 42 2.368 2.027 7.846 1.00 0.00 C ATOM 572 C THR A 42 2.033 0.606 7.390 1.00 0.00 C ATOM 573 O THR A 42 1.000 0.379 6.761 1.00 0.00 O ATOM 574 CB THR A 42 1.892 2.337 9.267 1.00 0.00 C ATOM 575 OG1 THR A 42 0.611 2.933 9.081 1.00 0.00 O ATOM 576 CG2 THR A 42 2.721 3.435 9.936 1.00 0.00 C ATOM 0 H THR A 42 0.924 2.682 6.477 1.00 0.00 H new ATOM 0 HA THR A 42 3.456 2.091 7.830 1.00 0.00 H new ATOM 0 HB THR A 42 1.937 1.431 9.871 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.228 3.164 9.953 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.341 3.616 10.942 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.763 3.121 9.993 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.650 4.352 9.351 1.00 0.00 H new ATOM 584 N LEU A 43 2.925 -0.315 7.724 1.00 0.00 N ATOM 585 CA LEU A 43 2.737 -1.708 7.356 1.00 0.00 C ATOM 586 C LEU A 43 2.715 -2.567 8.622 1.00 0.00 C ATOM 587 O LEU A 43 3.760 -3.016 9.090 1.00 0.00 O ATOM 588 CB LEU A 43 3.794 -2.140 6.338 1.00 0.00 C ATOM 589 CG LEU A 43 3.271 -2.538 4.956 1.00 0.00 C ATOM 590 CD1 LEU A 43 2.050 -3.452 5.074 1.00 0.00 C ATOM 591 CD2 LEU A 43 2.981 -1.301 4.103 1.00 0.00 C ATOM 0 H LEU A 43 3.780 -0.124 8.246 1.00 0.00 H new ATOM 0 HA LEU A 43 1.776 -1.845 6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.506 -1.324 6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.346 -2.984 6.753 1.00 0.00 H new ATOM 0 HG LEU A 43 4.050 -3.106 4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.698 -3.720 4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.324 -4.356 5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.257 -2.932 5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.611 -1.611 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.229 -0.686 4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.897 -0.723 3.977 1.00 0.00 H new ATOM 603 N LEU A 44 1.513 -2.769 9.140 1.00 0.00 N ATOM 604 CA LEU A 44 1.340 -3.567 10.342 1.00 0.00 C ATOM 605 C LEU A 44 2.274 -4.777 10.285 1.00 0.00 C ATOM 606 O LEU A 44 2.586 -5.274 9.203 1.00 0.00 O ATOM 607 CB LEU A 44 -0.132 -3.934 10.535 1.00 0.00 C ATOM 608 CG LEU A 44 -0.684 -3.771 11.953 1.00 0.00 C ATOM 609 CD1 LEU A 44 -1.893 -2.834 11.967 1.00 0.00 C ATOM 610 CD2 LEU A 44 -1.007 -5.132 12.575 1.00 0.00 C ATOM 0 H LEU A 44 0.649 -2.394 8.749 1.00 0.00 H new ATOM 0 HA LEU A 44 1.618 -2.991 11.225 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.730 -3.321 9.861 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.270 -4.971 10.230 1.00 0.00 H new ATOM 0 HG LEU A 44 0.088 -3.310 12.569 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.265 -2.736 12.987 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.598 -1.854 11.592 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.678 -3.244 11.332 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.398 -4.988 13.582 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.753 -5.643 11.966 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.101 -5.736 12.620 1.00 0.00 H new ATOM 622 N PRO A 45 2.705 -5.229 11.493 1.00 0.00 N ATOM 623 CA PRO A 45 3.597 -6.372 11.590 1.00 0.00 C ATOM 624 C PRO A 45 2.844 -7.679 11.331 1.00 0.00 C ATOM 625 O PRO A 45 3.141 -8.392 10.375 1.00 0.00 O ATOM 626 CB PRO A 45 4.187 -6.293 12.988 1.00 0.00 C ATOM 627 CG PRO A 45 3.260 -5.385 13.781 1.00 0.00 C ATOM 628 CD PRO A 45 2.356 -4.666 12.794 1.00 0.00 C ATOM 0 HA PRO A 45 4.386 -6.355 10.838 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.248 -7.282 13.443 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.200 -5.891 12.962 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.668 -5.967 14.487 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.836 -4.667 14.364 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.304 -4.831 13.028 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.522 -3.589 12.817 1.00 0.00 H new ATOM 636 N GLY A 46 1.882 -7.952 12.201 1.00 0.00 N ATOM 637 CA GLY A 46 1.084 -9.160 12.079 1.00 0.00 C ATOM 638 C GLY A 46 -0.049 -8.969 11.069 1.00 0.00 C ATOM 639 O GLY A 46 -1.211 -9.230 11.377 1.00 0.00 O ATOM 0 H GLY A 46 1.638 -7.357 12.993 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.719 -9.989 11.766 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.668 -9.425 13.051 1.00 0.00 H new ATOM 643 N SER A 47 0.329 -8.514 9.883 1.00 0.00 N ATOM 644 CA SER A 47 -0.641 -8.285 8.826 1.00 0.00 C ATOM 645 C SER A 47 -0.179 -8.964 7.535 1.00 0.00 C ATOM 646 O SER A 47 1.008 -9.238 7.364 1.00 0.00 O ATOM 647 CB SER A 47 -0.856 -6.788 8.591 1.00 0.00 C ATOM 648 OG SER A 47 0.376 -6.088 8.446 1.00 0.00 O ATOM 0 H SER A 47 1.294 -8.298 9.631 1.00 0.00 H new ATOM 0 HA SER A 47 -1.593 -8.717 9.136 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.462 -6.645 7.696 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.416 -6.367 9.426 1.00 0.00 H new ATOM 0 HG SER A 47 1.098 -6.608 8.856 1.00 0.00 H new ATOM 654 N PRO A 48 -1.167 -9.223 6.636 1.00 0.00 N ATOM 655 CA PRO A 48 -0.873 -9.864 5.366 1.00 0.00 C ATOM 656 C PRO A 48 -0.202 -8.886 4.400 1.00 0.00 C ATOM 657 O PRO A 48 0.654 -9.279 3.608 1.00 0.00 O ATOM 658 CB PRO A 48 -2.215 -10.371 4.862 1.00 0.00 C ATOM 659 CG PRO A 48 -3.270 -9.594 5.633 1.00 0.00 C ATOM 660 CD PRO A 48 -2.583 -8.912 6.805 1.00 0.00 C ATOM 0 HA PRO A 48 -0.163 -10.685 5.463 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.316 -10.208 3.789 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.317 -11.443 5.033 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.748 -8.856 4.988 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.054 -10.263 5.987 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.756 -7.836 6.794 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -2.960 -9.286 7.757 1.00 0.00 H new ATOM 668 N ALA A 49 -0.616 -7.631 4.496 1.00 0.00 N ATOM 669 CA ALA A 49 -0.065 -6.594 3.641 1.00 0.00 C ATOM 670 C ALA A 49 1.454 -6.548 3.815 1.00 0.00 C ATOM 671 O ALA A 49 2.198 -6.652 2.840 1.00 0.00 O ATOM 672 CB ALA A 49 -0.730 -5.256 3.968 1.00 0.00 C ATOM 0 H ALA A 49 -1.327 -7.309 5.153 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.270 -6.812 2.593 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.317 -4.478 3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.804 -5.333 3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.544 -5.003 5.012 1.00 0.00 H new ATOM 678 N ALA A 50 1.870 -6.393 5.063 1.00 0.00 N ATOM 679 CA ALA A 50 3.288 -6.332 5.377 1.00 0.00 C ATOM 680 C ALA A 50 3.956 -7.643 4.955 1.00 0.00 C ATOM 681 O ALA A 50 4.984 -7.630 4.280 1.00 0.00 O ATOM 682 CB ALA A 50 3.468 -6.039 6.868 1.00 0.00 C ATOM 0 H ALA A 50 1.251 -6.308 5.869 1.00 0.00 H new ATOM 0 HA ALA A 50 3.769 -5.524 4.826 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.531 -5.993 7.104 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.001 -5.084 7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.000 -6.831 7.453 1.00 0.00 H new ATOM 688 N ALA A 51 3.344 -8.742 5.371 1.00 0.00 N ATOM 689 CA ALA A 51 3.867 -10.058 5.044 1.00 0.00 C ATOM 690 C ALA A 51 4.274 -10.089 3.570 1.00 0.00 C ATOM 691 O ALA A 51 5.284 -10.695 3.213 1.00 0.00 O ATOM 692 CB ALA A 51 2.820 -11.122 5.382 1.00 0.00 C ATOM 0 H ALA A 51 2.492 -8.748 5.931 1.00 0.00 H new ATOM 0 HA ALA A 51 4.756 -10.275 5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.212 -12.109 5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.587 -11.078 6.446 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.914 -10.938 4.804 1.00 0.00 H new ATOM 698 N ASP A 52 3.467 -9.428 2.752 1.00 0.00 N ATOM 699 CA ASP A 52 3.731 -9.373 1.324 1.00 0.00 C ATOM 700 C ASP A 52 5.201 -9.015 1.095 1.00 0.00 C ATOM 701 O ASP A 52 5.904 -9.705 0.358 1.00 0.00 O ATOM 702 CB ASP A 52 2.873 -8.302 0.647 1.00 0.00 C ATOM 703 CG ASP A 52 2.459 -8.620 -0.791 1.00 0.00 C ATOM 704 OD1 ASP A 52 1.621 -9.534 -0.952 1.00 0.00 O ATOM 705 OD2 ASP A 52 2.990 -7.942 -1.697 1.00 0.00 O ATOM 0 H ASP A 52 2.631 -8.926 3.051 1.00 0.00 H new ATOM 0 HA ASP A 52 3.493 -10.348 0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.973 -8.148 1.243 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.423 -7.361 0.651 1.00 0.00 H new ATOM 710 N GLY A 53 5.623 -7.938 1.741 1.00 0.00 N ATOM 711 CA GLY A 53 6.996 -7.480 1.616 1.00 0.00 C ATOM 712 C GLY A 53 7.111 -6.368 0.572 1.00 0.00 C ATOM 713 O GLY A 53 7.787 -5.365 0.800 1.00 0.00 O ATOM 0 H GLY A 53 5.038 -7.369 2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.351 -7.116 2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.637 -8.315 1.335 1.00 0.00 H new ATOM 717 N ARG A 54 6.442 -6.583 -0.551 1.00 0.00 N ATOM 718 CA ARG A 54 6.461 -5.611 -1.631 1.00 0.00 C ATOM 719 C ARG A 54 5.847 -4.288 -1.165 1.00 0.00 C ATOM 720 O ARG A 54 6.384 -3.218 -1.447 1.00 0.00 O ATOM 721 CB ARG A 54 5.687 -6.124 -2.847 1.00 0.00 C ATOM 722 CG ARG A 54 6.457 -5.852 -4.141 1.00 0.00 C ATOM 723 CD ARG A 54 6.790 -4.365 -4.279 1.00 0.00 C ATOM 724 NE ARG A 54 7.509 -4.123 -5.550 1.00 0.00 N ATOM 725 CZ ARG A 54 8.002 -2.933 -5.919 1.00 0.00 C ATOM 726 NH1 ARG A 54 7.856 -1.870 -5.117 1.00 0.00 N ATOM 727 NH2 ARG A 54 8.640 -2.807 -7.091 1.00 0.00 N ATOM 0 H ARG A 54 5.883 -7.416 -0.737 1.00 0.00 H new ATOM 0 HA ARG A 54 7.501 -5.453 -1.917 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.508 -7.194 -2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.711 -5.641 -2.892 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.377 -6.437 -4.151 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.864 -6.176 -4.996 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.874 -3.775 -4.252 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.403 -4.042 -3.438 1.00 0.00 H new ATOM 0 HE ARG A 54 7.637 -4.911 -6.185 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.370 -1.967 -4.226 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.231 -0.964 -5.398 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.750 -3.617 -7.701 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.015 -1.901 -7.372 1.00 0.00 H new ATOM 741 N LEU A 55 4.731 -4.406 -0.461 1.00 0.00 N ATOM 742 CA LEU A 55 4.039 -3.233 0.046 1.00 0.00 C ATOM 743 C LEU A 55 5.003 -2.408 0.902 1.00 0.00 C ATOM 744 O LEU A 55 5.287 -2.767 2.044 1.00 0.00 O ATOM 745 CB LEU A 55 2.760 -3.641 0.780 1.00 0.00 C ATOM 746 CG LEU A 55 1.593 -4.086 -0.104 1.00 0.00 C ATOM 747 CD1 LEU A 55 0.359 -4.409 0.740 1.00 0.00 C ATOM 748 CD2 LEU A 55 1.293 -3.042 -1.182 1.00 0.00 C ATOM 0 H LEU A 55 4.289 -5.296 -0.230 1.00 0.00 H new ATOM 0 HA LEU A 55 3.717 -2.595 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.001 -4.454 1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.429 -2.799 1.388 1.00 0.00 H new ATOM 0 HG LEU A 55 1.882 -5.004 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.456 -4.723 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.595 -5.213 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.057 -3.522 1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.460 -3.383 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.032 -2.095 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.174 -2.903 -1.809 1.00 0.00 H new ATOM 760 N SER A 56 5.479 -1.319 0.317 1.00 0.00 N ATOM 761 CA SER A 56 6.404 -0.440 1.012 1.00 0.00 C ATOM 762 C SER A 56 5.665 0.795 1.529 1.00 0.00 C ATOM 763 O SER A 56 4.539 1.068 1.114 1.00 0.00 O ATOM 764 CB SER A 56 7.559 -0.024 0.099 1.00 0.00 C ATOM 765 OG SER A 56 7.136 0.154 -1.250 1.00 0.00 O ATOM 0 H SER A 56 5.242 -1.025 -0.630 1.00 0.00 H new ATOM 0 HA SER A 56 6.823 -0.985 1.858 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.996 0.904 0.467 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.342 -0.782 0.136 1.00 0.00 H new ATOM 0 HG SER A 56 7.902 0.421 -1.800 1.00 0.00 H new ATOM 771 N LEU A 57 6.327 1.510 2.426 1.00 0.00 N ATOM 772 CA LEU A 57 5.747 2.710 3.004 1.00 0.00 C ATOM 773 C LEU A 57 5.897 3.870 2.018 1.00 0.00 C ATOM 774 O LEU A 57 7.004 4.171 1.573 1.00 0.00 O ATOM 775 CB LEU A 57 6.354 2.990 4.380 1.00 0.00 C ATOM 776 CG LEU A 57 6.223 1.867 5.412 1.00 0.00 C ATOM 777 CD1 LEU A 57 6.408 2.404 6.833 1.00 0.00 C ATOM 778 CD2 LEU A 57 4.895 1.125 5.249 1.00 0.00 C ATOM 0 H LEU A 57 7.261 1.281 2.767 1.00 0.00 H new ATOM 0 HA LEU A 57 4.679 2.572 3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.413 3.215 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.886 3.886 4.786 1.00 0.00 H new ATOM 0 HG LEU A 57 7.020 1.145 5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.310 1.586 7.547 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.398 2.851 6.927 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.648 3.158 7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.827 0.332 5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.069 1.823 5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.841 0.690 4.251 1.00 0.00 H new ATOM 790 N GLY A 58 4.769 4.490 1.706 1.00 0.00 N ATOM 791 CA GLY A 58 4.762 5.610 0.781 1.00 0.00 C ATOM 792 C GLY A 58 4.158 5.205 -0.566 1.00 0.00 C ATOM 793 O GLY A 58 3.847 6.061 -1.393 1.00 0.00 O ATOM 0 H GLY A 58 3.853 4.238 2.077 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.190 6.434 1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.780 5.971 0.633 1.00 0.00 H new ATOM 797 N ASP A 59 4.010 3.901 -0.744 1.00 0.00 N ATOM 798 CA ASP A 59 3.450 3.372 -1.976 1.00 0.00 C ATOM 799 C ASP A 59 2.193 4.166 -2.340 1.00 0.00 C ATOM 800 O ASP A 59 1.728 4.993 -1.558 1.00 0.00 O ATOM 801 CB ASP A 59 3.051 1.904 -1.814 1.00 0.00 C ATOM 802 CG ASP A 59 4.104 0.894 -2.274 1.00 0.00 C ATOM 803 OD1 ASP A 59 4.947 1.292 -3.107 1.00 0.00 O ATOM 804 OD2 ASP A 59 4.043 -0.254 -1.783 1.00 0.00 O ATOM 0 H ASP A 59 4.268 3.194 -0.055 1.00 0.00 H new ATOM 0 HA ASP A 59 4.208 3.456 -2.755 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.825 1.718 -0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.132 1.729 -2.374 1.00 0.00 H new ATOM 809 N ARG A 60 1.680 3.886 -3.529 1.00 0.00 N ATOM 810 CA ARG A 60 0.486 4.563 -4.007 1.00 0.00 C ATOM 811 C ARG A 60 -0.502 3.550 -4.588 1.00 0.00 C ATOM 812 O ARG A 60 -0.200 2.877 -5.573 1.00 0.00 O ATOM 813 CB ARG A 60 0.833 5.599 -5.078 1.00 0.00 C ATOM 814 CG ARG A 60 -0.426 6.306 -5.584 1.00 0.00 C ATOM 815 CD ARG A 60 -0.094 7.262 -6.732 1.00 0.00 C ATOM 816 NE ARG A 60 -1.024 8.413 -6.717 1.00 0.00 N ATOM 817 CZ ARG A 60 -2.313 8.342 -7.076 1.00 0.00 C ATOM 818 NH1 ARG A 60 -2.833 7.175 -7.481 1.00 0.00 N ATOM 819 NH2 ARG A 60 -3.083 9.439 -7.031 1.00 0.00 N ATOM 0 H ARG A 60 2.069 3.200 -4.176 1.00 0.00 H new ATOM 0 HA ARG A 60 0.031 5.073 -3.158 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.527 6.333 -4.668 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.340 5.111 -5.910 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.152 5.566 -5.921 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.890 6.860 -4.767 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.934 7.613 -6.638 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.166 6.738 -7.685 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.661 9.317 -6.414 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.247 6.341 -7.516 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.814 7.121 -7.754 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.687 10.327 -6.724 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.064 9.385 -7.304 1.00 0.00 H new ATOM 833 N ILE A 61 -1.663 3.472 -3.954 1.00 0.00 N ATOM 834 CA ILE A 61 -2.697 2.552 -4.395 1.00 0.00 C ATOM 835 C ILE A 61 -3.357 3.104 -5.661 1.00 0.00 C ATOM 836 O ILE A 61 -3.646 4.296 -5.745 1.00 0.00 O ATOM 837 CB ILE A 61 -3.683 2.270 -3.260 1.00 0.00 C ATOM 838 CG1 ILE A 61 -2.946 2.020 -1.943 1.00 0.00 C ATOM 839 CG2 ILE A 61 -4.619 1.115 -3.622 1.00 0.00 C ATOM 840 CD1 ILE A 61 -1.931 0.884 -2.090 1.00 0.00 C ATOM 0 H ILE A 61 -1.910 4.032 -3.138 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.263 1.587 -4.656 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.303 3.155 -3.118 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.435 2.930 -1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.664 1.772 -1.162 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.310 0.935 -2.798 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.183 1.371 -4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.032 0.215 -3.807 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.421 0.727 -1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.448 -0.031 -2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.200 1.146 -2.855 1.00 0.00 H new ATOM 852 N LEU A 62 -3.577 2.209 -6.613 1.00 0.00 N ATOM 853 CA LEU A 62 -4.198 2.591 -7.870 1.00 0.00 C ATOM 854 C LEU A 62 -5.580 1.942 -7.969 1.00 0.00 C ATOM 855 O LEU A 62 -6.509 2.532 -8.518 1.00 0.00 O ATOM 856 CB LEU A 62 -3.277 2.259 -9.045 1.00 0.00 C ATOM 857 CG LEU A 62 -1.864 2.841 -8.976 1.00 0.00 C ATOM 858 CD1 LEU A 62 -1.077 2.526 -10.249 1.00 0.00 C ATOM 859 CD2 LEU A 62 -1.904 4.343 -8.684 1.00 0.00 C ATOM 0 H LEU A 62 -3.336 1.221 -6.539 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.349 3.670 -7.908 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.198 1.175 -9.124 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.749 2.612 -9.962 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.339 2.365 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.076 2.951 -10.173 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.003 1.446 -10.373 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.590 2.956 -11.109 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.887 4.732 -8.640 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.454 4.853 -9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.400 4.515 -7.729 1.00 0.00 H new ATOM 871 N GLU A 63 -5.672 0.735 -7.430 1.00 0.00 N ATOM 872 CA GLU A 63 -6.925 0.000 -7.451 1.00 0.00 C ATOM 873 C GLU A 63 -7.076 -0.827 -6.172 1.00 0.00 C ATOM 874 O GLU A 63 -6.094 -1.098 -5.484 1.00 0.00 O ATOM 875 CB GLU A 63 -7.018 -0.889 -8.692 1.00 0.00 C ATOM 876 CG GLU A 63 -7.562 -0.105 -9.888 1.00 0.00 C ATOM 877 CD GLU A 63 -7.100 -0.727 -11.208 1.00 0.00 C ATOM 878 OE1 GLU A 63 -7.168 -1.972 -11.303 1.00 0.00 O ATOM 879 OE2 GLU A 63 -6.690 0.056 -12.092 1.00 0.00 O ATOM 0 H GLU A 63 -4.899 0.248 -6.976 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.744 0.718 -7.496 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.033 -1.289 -8.932 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.666 -1.741 -8.486 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.651 -0.088 -9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.225 0.930 -9.832 1.00 0.00 H new ATOM 886 N VAL A 64 -8.315 -1.205 -5.893 1.00 0.00 N ATOM 887 CA VAL A 64 -8.608 -1.995 -4.710 1.00 0.00 C ATOM 888 C VAL A 64 -9.699 -3.016 -5.040 1.00 0.00 C ATOM 889 O VAL A 64 -10.861 -2.653 -5.216 1.00 0.00 O ATOM 890 CB VAL A 64 -8.983 -1.075 -3.546 1.00 0.00 C ATOM 891 CG1 VAL A 64 -9.916 -1.786 -2.564 1.00 0.00 C ATOM 892 CG2 VAL A 64 -7.733 -0.553 -2.835 1.00 0.00 C ATOM 0 H VAL A 64 -9.128 -0.978 -6.466 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.726 -2.553 -4.396 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.518 -0.218 -3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.167 -1.110 -1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.828 -2.085 -3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.419 -2.670 -2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.028 0.098 -2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.159 -1.393 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.121 0.009 -3.541 1.00 0.00 H new ATOM 902 N ASN A 65 -9.286 -4.272 -5.114 1.00 0.00 N ATOM 903 CA ASN A 65 -10.213 -5.348 -5.421 1.00 0.00 C ATOM 904 C ASN A 65 -10.544 -5.321 -6.914 1.00 0.00 C ATOM 905 O ASN A 65 -10.346 -6.311 -7.616 1.00 0.00 O ATOM 906 CB ASN A 65 -11.521 -5.186 -4.644 1.00 0.00 C ATOM 907 CG ASN A 65 -11.858 -6.459 -3.865 1.00 0.00 C ATOM 908 OD1 ASN A 65 -12.501 -7.370 -4.361 1.00 0.00 O ATOM 909 ND2 ASN A 65 -11.389 -6.472 -2.620 1.00 0.00 N ATOM 0 H ASN A 65 -8.321 -4.569 -4.967 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.741 -6.290 -5.141 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.437 -4.345 -3.955 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.332 -4.953 -5.334 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.561 -7.278 -2.019 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.858 -5.676 -2.267 1.00 0.00 H new ATOM 916 N GLY A 66 -11.043 -4.175 -7.356 1.00 0.00 N ATOM 917 CA GLY A 66 -11.404 -4.006 -8.753 1.00 0.00 C ATOM 918 C GLY A 66 -12.139 -2.682 -8.973 1.00 0.00 C ATOM 919 O GLY A 66 -13.095 -2.620 -9.744 1.00 0.00 O ATOM 0 H GLY A 66 -11.205 -3.355 -6.771 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.506 -4.035 -9.370 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.036 -4.835 -9.072 1.00 0.00 H new ATOM 923 N SER A 67 -11.664 -1.657 -8.282 1.00 0.00 N ATOM 924 CA SER A 67 -12.264 -0.338 -8.391 1.00 0.00 C ATOM 925 C SER A 67 -11.174 0.720 -8.569 1.00 0.00 C ATOM 926 O SER A 67 -10.407 0.988 -7.645 1.00 0.00 O ATOM 927 CB SER A 67 -13.120 -0.018 -7.164 1.00 0.00 C ATOM 928 OG SER A 67 -14.122 0.954 -7.450 1.00 0.00 O ATOM 0 H SER A 67 -10.870 -1.713 -7.644 1.00 0.00 H new ATOM 0 HA SER A 67 -12.915 -0.330 -9.265 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.593 -0.932 -6.804 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.480 0.347 -6.361 1.00 0.00 H new ATOM 0 HG SER A 67 -14.648 1.129 -6.642 1.00 0.00 H new ATOM 934 N SER A 68 -11.139 1.294 -9.763 1.00 0.00 N ATOM 935 CA SER A 68 -10.155 2.317 -10.073 1.00 0.00 C ATOM 936 C SER A 68 -10.260 3.466 -9.068 1.00 0.00 C ATOM 937 O SER A 68 -11.313 4.088 -8.939 1.00 0.00 O ATOM 938 CB SER A 68 -10.336 2.841 -11.499 1.00 0.00 C ATOM 939 OG SER A 68 -11.583 3.510 -11.668 1.00 0.00 O ATOM 0 H SER A 68 -11.776 1.070 -10.527 1.00 0.00 H new ATOM 0 HA SER A 68 -9.163 1.870 -10.002 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.522 3.525 -11.740 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.272 2.010 -12.201 1.00 0.00 H new ATOM 0 HG SER A 68 -11.903 3.830 -10.799 1.00 0.00 H new ATOM 945 N LEU A 69 -9.154 3.713 -8.382 1.00 0.00 N ATOM 946 CA LEU A 69 -9.108 4.776 -7.393 1.00 0.00 C ATOM 947 C LEU A 69 -8.471 6.020 -8.016 1.00 0.00 C ATOM 948 O LEU A 69 -7.582 6.629 -7.424 1.00 0.00 O ATOM 949 CB LEU A 69 -8.403 4.295 -6.123 1.00 0.00 C ATOM 950 CG LEU A 69 -9.093 4.642 -4.801 1.00 0.00 C ATOM 951 CD1 LEU A 69 -9.302 6.152 -4.672 1.00 0.00 C ATOM 952 CD2 LEU A 69 -10.403 3.867 -4.647 1.00 0.00 C ATOM 0 H LEU A 69 -8.282 3.195 -8.492 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.116 5.054 -7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.294 3.212 -6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.398 4.716 -6.107 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.440 4.336 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.794 6.372 -3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.337 6.657 -4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.925 6.505 -5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.873 4.132 -3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.074 4.120 -5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.197 2.797 -4.663 1.00 0.00 H new ATOM 964 N LEU A 70 -8.951 6.359 -9.204 1.00 0.00 N ATOM 965 CA LEU A 70 -8.440 7.519 -9.914 1.00 0.00 C ATOM 966 C LEU A 70 -9.411 8.687 -9.739 1.00 0.00 C ATOM 967 O LEU A 70 -10.105 9.068 -10.681 1.00 0.00 O ATOM 968 CB LEU A 70 -8.154 7.169 -11.376 1.00 0.00 C ATOM 969 CG LEU A 70 -6.890 6.348 -11.635 1.00 0.00 C ATOM 970 CD1 LEU A 70 -6.809 5.913 -13.100 1.00 0.00 C ATOM 971 CD2 LEU A 70 -5.640 7.111 -11.194 1.00 0.00 C ATOM 0 H LEU A 70 -9.688 5.851 -9.692 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.485 7.833 -9.493 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.008 6.618 -11.771 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.083 8.097 -11.944 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.943 5.441 -11.032 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.901 5.331 -13.257 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.678 5.303 -13.347 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.790 6.795 -13.741 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.756 6.504 -11.389 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.569 8.046 -11.750 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.703 7.327 -10.128 1.00 0.00 H new ATOM 983 N GLY A 71 -9.430 9.224 -8.528 1.00 0.00 N ATOM 984 CA GLY A 71 -10.306 10.341 -8.218 1.00 0.00 C ATOM 985 C GLY A 71 -11.301 9.969 -7.117 1.00 0.00 C ATOM 986 O GLY A 71 -11.893 10.845 -6.489 1.00 0.00 O ATOM 0 H GLY A 71 -8.853 8.906 -7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.711 11.197 -7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.847 10.643 -9.115 1.00 0.00 H new ATOM 990 N LEU A 72 -11.453 8.668 -6.916 1.00 0.00 N ATOM 991 CA LEU A 72 -12.366 8.170 -5.902 1.00 0.00 C ATOM 992 C LEU A 72 -12.005 8.786 -4.549 1.00 0.00 C ATOM 993 O LEU A 72 -10.903 8.577 -4.042 1.00 0.00 O ATOM 994 CB LEU A 72 -12.378 6.640 -5.897 1.00 0.00 C ATOM 995 CG LEU A 72 -13.511 5.975 -6.680 1.00 0.00 C ATOM 996 CD1 LEU A 72 -13.452 4.452 -6.545 1.00 0.00 C ATOM 997 CD2 LEU A 72 -14.871 6.535 -6.259 1.00 0.00 C ATOM 0 H LEU A 72 -10.959 7.944 -7.438 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.388 8.474 -6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.429 6.288 -6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.430 6.300 -4.863 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.379 6.210 -7.736 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.269 4.005 -7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.500 4.089 -6.933 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.545 4.176 -5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -15.659 6.045 -6.831 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -15.027 6.352 -5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -14.898 7.608 -6.450 1.00 0.00 H new ATOM 1009 N GLY A 73 -12.952 9.534 -4.003 1.00 0.00 N ATOM 1010 CA GLY A 73 -12.747 10.182 -2.718 1.00 0.00 C ATOM 1011 C GLY A 73 -12.210 9.191 -1.684 1.00 0.00 C ATOM 1012 O GLY A 73 -12.671 8.053 -1.611 1.00 0.00 O ATOM 0 H GLY A 73 -13.864 9.706 -4.427 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.047 11.010 -2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.688 10.606 -2.366 1.00 0.00 H new ATOM 1016 N TYR A 74 -11.243 9.660 -0.909 1.00 0.00 N ATOM 1017 CA TYR A 74 -10.639 8.829 0.119 1.00 0.00 C ATOM 1018 C TYR A 74 -11.687 7.943 0.794 1.00 0.00 C ATOM 1019 O TYR A 74 -11.506 6.730 0.898 1.00 0.00 O ATOM 1020 CB TYR A 74 -10.060 9.795 1.155 1.00 0.00 C ATOM 1021 CG TYR A 74 -9.650 9.126 2.468 1.00 0.00 C ATOM 1022 CD1 TYR A 74 -10.596 8.886 3.445 1.00 0.00 C ATOM 1023 CD2 TYR A 74 -8.336 8.762 2.677 1.00 0.00 C ATOM 1024 CE1 TYR A 74 -10.211 8.256 4.681 1.00 0.00 C ATOM 1025 CE2 TYR A 74 -7.950 8.132 3.913 1.00 0.00 C ATOM 1026 CZ TYR A 74 -8.907 7.910 4.854 1.00 0.00 C ATOM 1027 OH TYR A 74 -8.543 7.315 6.022 1.00 0.00 O ATOM 0 H TYR A 74 -10.863 10.604 -0.972 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.881 8.175 -0.312 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.191 10.293 0.726 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -10.798 10.568 1.368 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.625 9.171 3.282 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.596 8.950 1.913 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.941 8.063 5.453 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.925 7.842 4.089 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.582 7.123 6.006 1.00 0.00 H new ATOM 1037 N LEU A 75 -12.760 8.582 1.236 1.00 0.00 N ATOM 1038 CA LEU A 75 -13.837 7.866 1.899 1.00 0.00 C ATOM 1039 C LEU A 75 -14.307 6.718 1.004 1.00 0.00 C ATOM 1040 O LEU A 75 -14.428 5.582 1.458 1.00 0.00 O ATOM 1041 CB LEU A 75 -14.954 8.832 2.299 1.00 0.00 C ATOM 1042 CG LEU A 75 -14.813 9.489 3.674 1.00 0.00 C ATOM 1043 CD1 LEU A 75 -15.761 10.682 3.811 1.00 0.00 C ATOM 1044 CD2 LEU A 75 -15.012 8.466 4.794 1.00 0.00 C ATOM 0 H LEU A 75 -12.907 9.588 1.148 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.484 7.421 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.013 9.619 1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.901 8.293 2.272 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.797 9.873 3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.641 11.131 4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.528 11.422 3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.790 10.345 3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.907 8.959 5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.008 8.030 4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.263 7.679 4.705 1.00 0.00 H new ATOM 1056 N ARG A 76 -14.560 7.055 -0.252 1.00 0.00 N ATOM 1057 CA ARG A 76 -15.014 6.067 -1.215 1.00 0.00 C ATOM 1058 C ARG A 76 -14.049 4.880 -1.253 1.00 0.00 C ATOM 1059 O ARG A 76 -14.469 3.730 -1.130 1.00 0.00 O ATOM 1060 CB ARG A 76 -15.123 6.672 -2.616 1.00 0.00 C ATOM 1061 CG ARG A 76 -16.582 6.947 -2.983 1.00 0.00 C ATOM 1062 CD ARG A 76 -17.081 5.951 -4.032 1.00 0.00 C ATOM 1063 NE ARG A 76 -17.577 6.676 -5.223 1.00 0.00 N ATOM 1064 CZ ARG A 76 -18.373 6.134 -6.155 1.00 0.00 C ATOM 1065 NH1 ARG A 76 -18.768 4.858 -6.040 1.00 0.00 N ATOM 1066 NH2 ARG A 76 -18.775 6.867 -7.202 1.00 0.00 N ATOM 0 H ARG A 76 -14.459 7.999 -0.625 1.00 0.00 H new ATOM 0 HA ARG A 76 -16.001 5.727 -0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.552 7.599 -2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.683 5.991 -3.345 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -17.204 6.882 -2.090 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.679 7.963 -3.366 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.274 5.276 -4.317 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.878 5.337 -3.612 1.00 0.00 H new ATOM 0 HE ARG A 76 -17.295 7.649 -5.342 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.463 4.299 -5.243 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -19.374 4.446 -6.750 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -18.475 7.838 -7.290 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -19.381 6.454 -7.911 1.00 0.00 H new ATOM 1080 N ALA A 77 -12.775 5.199 -1.424 1.00 0.00 N ATOM 1081 CA ALA A 77 -11.747 4.174 -1.480 1.00 0.00 C ATOM 1082 C ALA A 77 -11.767 3.367 -0.180 1.00 0.00 C ATOM 1083 O ALA A 77 -11.781 2.137 -0.209 1.00 0.00 O ATOM 1084 CB ALA A 77 -10.388 4.827 -1.740 1.00 0.00 C ATOM 0 H ALA A 77 -12.431 6.154 -1.526 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.938 3.483 -2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.617 4.058 -1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.418 5.363 -2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.160 5.526 -0.935 1.00 0.00 H new ATOM 1090 N VAL A 78 -11.769 4.091 0.929 1.00 0.00 N ATOM 1091 CA VAL A 78 -11.787 3.458 2.237 1.00 0.00 C ATOM 1092 C VAL A 78 -12.860 2.367 2.255 1.00 0.00 C ATOM 1093 O VAL A 78 -12.638 1.283 2.791 1.00 0.00 O ATOM 1094 CB VAL A 78 -11.988 4.513 3.326 1.00 0.00 C ATOM 1095 CG1 VAL A 78 -12.001 3.871 4.715 1.00 0.00 C ATOM 1096 CG2 VAL A 78 -10.919 5.604 3.237 1.00 0.00 C ATOM 0 H VAL A 78 -11.758 5.111 0.949 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.831 2.977 2.443 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.959 4.981 3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.145 4.643 5.471 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.815 3.148 4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.052 3.364 4.890 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.085 6.341 4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.932 5.158 3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.977 6.091 2.264 1.00 0.00 H new ATOM 1106 N ASP A 79 -14.000 2.693 1.663 1.00 0.00 N ATOM 1107 CA ASP A 79 -15.107 1.754 1.605 1.00 0.00 C ATOM 1108 C ASP A 79 -14.649 0.473 0.906 1.00 0.00 C ATOM 1109 O ASP A 79 -14.759 -0.617 1.465 1.00 0.00 O ATOM 1110 CB ASP A 79 -16.279 2.334 0.809 1.00 0.00 C ATOM 1111 CG ASP A 79 -17.578 1.530 0.893 1.00 0.00 C ATOM 1112 OD1 ASP A 79 -18.367 1.822 1.818 1.00 0.00 O ATOM 1113 OD2 ASP A 79 -17.753 0.642 0.031 1.00 0.00 O ATOM 0 H ASP A 79 -14.181 3.594 1.220 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.429 1.550 2.626 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.473 3.347 1.162 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.985 2.412 -0.238 1.00 0.00 H new ATOM 1118 N LEU A 80 -14.143 0.647 -0.306 1.00 0.00 N ATOM 1119 CA LEU A 80 -13.667 -0.482 -1.087 1.00 0.00 C ATOM 1120 C LEU A 80 -12.953 -1.471 -0.163 1.00 0.00 C ATOM 1121 O LEU A 80 -13.413 -2.598 0.019 1.00 0.00 O ATOM 1122 CB LEU A 80 -12.805 0.000 -2.255 1.00 0.00 C ATOM 1123 CG LEU A 80 -13.553 0.338 -3.547 1.00 0.00 C ATOM 1124 CD1 LEU A 80 -13.726 -0.905 -4.421 1.00 0.00 C ATOM 1125 CD2 LEU A 80 -14.890 1.017 -3.244 1.00 0.00 C ATOM 0 H LEU A 80 -14.052 1.553 -0.766 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.505 -1.014 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.256 0.885 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.066 -0.770 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 80 -12.952 1.049 -4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -14.260 -0.637 -5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.746 -1.307 -4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -14.295 -1.658 -3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.402 1.247 -4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -15.510 0.349 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.713 1.940 -2.691 1.00 0.00 H new ATOM 1137 N ILE A 81 -11.842 -1.014 0.395 1.00 0.00 N ATOM 1138 CA ILE A 81 -11.060 -1.845 1.295 1.00 0.00 C ATOM 1139 C ILE A 81 -11.936 -2.275 2.474 1.00 0.00 C ATOM 1140 O ILE A 81 -12.043 -3.464 2.771 1.00 0.00 O ATOM 1141 CB ILE A 81 -9.778 -1.123 1.713 1.00 0.00 C ATOM 1142 CG1 ILE A 81 -8.816 -0.986 0.531 1.00 0.00 C ATOM 1143 CG2 ILE A 81 -9.122 -1.817 2.908 1.00 0.00 C ATOM 1144 CD1 ILE A 81 -8.846 0.433 -0.040 1.00 0.00 C ATOM 0 H ILE A 81 -11.464 -0.079 0.241 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.735 -2.754 0.789 1.00 0.00 H new ATOM 0 HB ILE A 81 -10.043 -0.115 2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.803 -1.231 0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.086 -1.700 -0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.213 -1.283 3.185 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.812 -1.819 3.752 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.873 -2.844 2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.153 0.502 -0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.854 0.666 -0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -8.552 1.143 0.733 1.00 0.00 H new ATOM 1156 N ARG A 82 -12.539 -1.284 3.115 1.00 0.00 N ATOM 1157 CA ARG A 82 -13.401 -1.545 4.254 1.00 0.00 C ATOM 1158 C ARG A 82 -14.326 -2.729 3.961 1.00 0.00 C ATOM 1159 O ARG A 82 -14.345 -3.706 4.707 1.00 0.00 O ATOM 1160 CB ARG A 82 -14.248 -0.318 4.597 1.00 0.00 C ATOM 1161 CG ARG A 82 -15.624 -0.731 5.122 1.00 0.00 C ATOM 1162 CD ARG A 82 -16.389 0.478 5.666 1.00 0.00 C ATOM 1163 NE ARG A 82 -17.814 0.129 5.863 1.00 0.00 N ATOM 1164 CZ ARG A 82 -18.759 1.007 6.225 1.00 0.00 C ATOM 1165 NH1 ARG A 82 -18.438 2.291 6.431 1.00 0.00 N ATOM 1166 NH2 ARG A 82 -20.027 0.600 6.381 1.00 0.00 N ATOM 0 H ARG A 82 -12.447 -0.299 2.867 1.00 0.00 H new ATOM 0 HA ARG A 82 -12.762 -1.781 5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -13.735 0.285 5.346 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.365 0.307 3.711 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -16.197 -1.198 4.321 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.508 -1.477 5.909 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.951 0.801 6.611 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -16.304 1.315 4.973 1.00 0.00 H new ATOM 0 HE ARG A 82 -18.094 -0.840 5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.474 2.601 6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.158 2.959 6.707 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -20.272 -0.378 6.224 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -20.747 1.268 6.657 1.00 0.00 H new ATOM 1180 N HIS A 83 -15.070 -2.601 2.872 1.00 0.00 N ATOM 1181 CA HIS A 83 -15.994 -3.648 2.471 1.00 0.00 C ATOM 1182 C HIS A 83 -15.320 -4.563 1.446 1.00 0.00 C ATOM 1183 O HIS A 83 -15.968 -5.046 0.519 1.00 0.00 O ATOM 1184 CB HIS A 83 -17.305 -3.048 1.958 1.00 0.00 C ATOM 1185 CG HIS A 83 -18.296 -2.715 3.048 1.00 0.00 C ATOM 1186 ND1 HIS A 83 -18.592 -3.363 4.211 1.00 0.00 N flip ATOM 1187 CD2 HIS A 83 -19.114 -1.600 3.002 1.00 0.00 C flip ATOM 1188 CE1 HIS A 83 -19.538 -2.680 4.843 1.00 0.00 C flip ATOM 1189 NE2 HIS A 83 -19.864 -1.587 4.094 1.00 0.00 N flip ATOM 0 H HIS A 83 -15.052 -1.789 2.255 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.255 -4.259 3.336 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -17.082 -2.142 1.395 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -17.767 -3.750 1.263 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -18.159 -4.226 4.539 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -19.137 -0.865 2.211 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -19.977 -2.945 5.793 1.00 0.00 H new ATOM 1197 N GLY A 84 -14.028 -4.773 1.648 1.00 0.00 N ATOM 1198 CA GLY A 84 -13.259 -5.621 0.753 1.00 0.00 C ATOM 1199 C GLY A 84 -13.829 -7.040 0.719 1.00 0.00 C ATOM 1200 O GLY A 84 -15.042 -7.228 0.795 1.00 0.00 O ATOM 0 H GLY A 84 -13.494 -4.371 2.418 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.267 -5.198 -0.251 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.219 -5.651 1.078 1.00 0.00 H new ATOM 1204 N GLY A 85 -12.926 -8.003 0.603 1.00 0.00 N ATOM 1205 CA GLY A 85 -13.324 -9.400 0.557 1.00 0.00 C ATOM 1206 C GLY A 85 -12.173 -10.312 0.985 1.00 0.00 C ATOM 1207 O GLY A 85 -11.038 -9.861 1.126 1.00 0.00 O ATOM 0 H GLY A 85 -11.921 -7.843 0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.181 -9.559 1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.641 -9.658 -0.453 1.00 0.00 H new ATOM 1211 N LYS A 86 -12.506 -11.580 1.179 1.00 0.00 N ATOM 1212 CA LYS A 86 -11.513 -12.560 1.587 1.00 0.00 C ATOM 1213 C LYS A 86 -10.218 -12.323 0.809 1.00 0.00 C ATOM 1214 O LYS A 86 -9.125 -12.473 1.355 1.00 0.00 O ATOM 1215 CB LYS A 86 -12.068 -13.978 1.439 1.00 0.00 C ATOM 1216 CG LYS A 86 -13.147 -14.258 2.488 1.00 0.00 C ATOM 1217 CD LYS A 86 -13.798 -15.623 2.255 1.00 0.00 C ATOM 1218 CE LYS A 86 -15.322 -15.524 2.335 1.00 0.00 C ATOM 1219 NZ LYS A 86 -15.921 -16.868 2.493 1.00 0.00 N ATOM 0 H LYS A 86 -13.449 -11.951 1.061 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.275 -12.443 2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.485 -14.107 0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.259 -14.701 1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.707 -14.227 3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.907 -13.478 2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.506 -16.007 1.278 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.437 -16.334 2.998 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.608 -14.891 3.175 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.709 -15.050 1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.956 -16.783 2.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.663 -17.461 1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.565 -17.306 3.366 1.00 0.00 H new ATOM 1233 N LYS A 87 -10.382 -11.955 -0.453 1.00 0.00 N ATOM 1234 CA LYS A 87 -9.238 -11.695 -1.311 1.00 0.00 C ATOM 1235 C LYS A 87 -9.145 -10.193 -1.588 1.00 0.00 C ATOM 1236 O LYS A 87 -9.972 -9.638 -2.310 1.00 0.00 O ATOM 1237 CB LYS A 87 -9.314 -12.550 -2.578 1.00 0.00 C ATOM 1238 CG LYS A 87 -8.456 -13.809 -2.441 1.00 0.00 C ATOM 1239 CD LYS A 87 -8.850 -14.857 -3.484 1.00 0.00 C ATOM 1240 CE LYS A 87 -8.050 -14.675 -4.775 1.00 0.00 C ATOM 1241 NZ LYS A 87 -7.088 -15.786 -4.950 1.00 0.00 N ATOM 0 H LYS A 87 -11.289 -11.831 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.313 -11.986 -0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.350 -12.830 -2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.977 -11.967 -3.435 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.404 -13.551 -2.559 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.572 -14.225 -1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.678 -15.856 -3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.916 -14.779 -3.699 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.728 -14.636 -5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.516 -13.725 -4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.553 -15.647 -5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.430 -15.805 -4.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.604 -16.688 -4.997 1.00 0.00 H new ATOM 1255 N MET A 88 -8.130 -9.577 -0.999 1.00 0.00 N ATOM 1256 CA MET A 88 -7.918 -8.150 -1.173 1.00 0.00 C ATOM 1257 C MET A 88 -6.814 -7.881 -2.197 1.00 0.00 C ATOM 1258 O MET A 88 -5.672 -8.296 -2.008 1.00 0.00 O ATOM 1259 CB MET A 88 -7.533 -7.524 0.169 1.00 0.00 C ATOM 1260 CG MET A 88 -8.701 -7.580 1.155 1.00 0.00 C ATOM 1261 SD MET A 88 -9.188 -5.926 1.619 1.00 0.00 S ATOM 1262 CE MET A 88 -9.297 -5.171 0.005 1.00 0.00 C ATOM 0 H MET A 88 -7.446 -10.040 -0.401 1.00 0.00 H new ATOM 0 HA MET A 88 -8.844 -7.706 -1.539 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.674 -8.050 0.587 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.230 -6.488 0.017 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.544 -8.103 0.704 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.413 -8.145 2.041 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.010 -4.122 0.074 1.00 0.00 H new ATOM 0 HE2 MET A 88 -8.627 -5.686 -0.684 1.00 0.00 H new ATOM 0 HE3 MET A 88 -10.321 -5.244 -0.362 1.00 0.00 H new ATOM 1272 N ARG A 89 -7.194 -7.187 -3.261 1.00 0.00 N ATOM 1273 CA ARG A 89 -6.250 -6.858 -4.315 1.00 0.00 C ATOM 1274 C ARG A 89 -6.001 -5.349 -4.352 1.00 0.00 C ATOM 1275 O ARG A 89 -6.924 -4.559 -4.159 1.00 0.00 O ATOM 1276 CB ARG A 89 -6.768 -7.316 -5.680 1.00 0.00 C ATOM 1277 CG ARG A 89 -5.807 -6.905 -6.797 1.00 0.00 C ATOM 1278 CD ARG A 89 -6.275 -7.446 -8.150 1.00 0.00 C ATOM 1279 NE ARG A 89 -5.744 -8.812 -8.360 1.00 0.00 N ATOM 1280 CZ ARG A 89 -5.937 -9.530 -9.475 1.00 0.00 C ATOM 1281 NH1 ARG A 89 -6.649 -9.016 -10.487 1.00 0.00 N ATOM 1282 NH2 ARG A 89 -5.418 -10.761 -9.577 1.00 0.00 N ATOM 0 H ARG A 89 -8.142 -6.844 -3.415 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.317 -7.379 -4.099 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -6.891 -8.399 -5.682 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.751 -6.883 -5.864 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.738 -5.818 -6.840 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.807 -7.280 -6.578 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.364 -7.460 -8.188 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.937 -6.788 -8.951 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.197 -9.233 -7.609 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.044 -8.079 -10.408 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.796 -9.562 -11.336 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.876 -11.152 -8.806 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.565 -11.308 -10.426 1.00 0.00 H new ATOM 1296 N PHE A 90 -4.749 -4.994 -4.602 1.00 0.00 N ATOM 1297 CA PHE A 90 -4.367 -3.593 -4.667 1.00 0.00 C ATOM 1298 C PHE A 90 -3.367 -3.350 -5.799 1.00 0.00 C ATOM 1299 O PHE A 90 -2.406 -4.101 -5.955 1.00 0.00 O ATOM 1300 CB PHE A 90 -3.703 -3.249 -3.333 1.00 0.00 C ATOM 1301 CG PHE A 90 -4.527 -3.646 -2.106 1.00 0.00 C ATOM 1302 CD1 PHE A 90 -5.684 -2.989 -1.823 1.00 0.00 C ATOM 1303 CD2 PHE A 90 -4.103 -4.656 -1.300 1.00 0.00 C ATOM 1304 CE1 PHE A 90 -6.449 -3.358 -0.685 1.00 0.00 C ATOM 1305 CE2 PHE A 90 -4.868 -5.024 -0.162 1.00 0.00 C ATOM 1306 CZ PHE A 90 -6.025 -4.368 0.122 1.00 0.00 C ATOM 0 H PHE A 90 -3.986 -5.652 -4.762 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.245 -2.976 -4.855 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.734 -3.745 -3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.514 -2.176 -3.299 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.021 -2.187 -2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.185 -5.178 -1.525 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.368 -2.837 -0.460 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.531 -5.825 0.479 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.607 -4.649 0.988 1.00 0.00 H new ATOM 1316 N LEU A 91 -3.628 -2.296 -6.559 1.00 0.00 N ATOM 1317 CA LEU A 91 -2.763 -1.944 -7.672 1.00 0.00 C ATOM 1318 C LEU A 91 -1.778 -0.862 -7.224 1.00 0.00 C ATOM 1319 O LEU A 91 -2.071 0.328 -7.323 1.00 0.00 O ATOM 1320 CB LEU A 91 -3.595 -1.551 -8.894 1.00 0.00 C ATOM 1321 CG LEU A 91 -2.820 -1.358 -10.199 1.00 0.00 C ATOM 1322 CD1 LEU A 91 -2.160 -2.664 -10.644 1.00 0.00 C ATOM 1323 CD2 LEU A 91 -3.719 -0.770 -11.289 1.00 0.00 C ATOM 0 H LEU A 91 -4.426 -1.675 -6.426 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.172 -2.805 -7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.353 -2.318 -9.055 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.122 -0.624 -8.667 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.021 -0.639 -10.018 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.616 -2.498 -11.574 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.467 -3.002 -9.874 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.926 -3.423 -10.802 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.144 -0.643 -12.206 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.554 -1.445 -11.475 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.101 0.198 -10.963 1.00 0.00 H new ATOM 1335 N VAL A 92 -0.630 -1.315 -6.742 1.00 0.00 N ATOM 1336 CA VAL A 92 0.400 -0.400 -6.279 1.00 0.00 C ATOM 1337 C VAL A 92 1.310 -0.028 -7.451 1.00 0.00 C ATOM 1338 O VAL A 92 1.491 -0.819 -8.376 1.00 0.00 O ATOM 1339 CB VAL A 92 1.160 -1.020 -5.104 1.00 0.00 C ATOM 1340 CG1 VAL A 92 1.951 0.045 -4.341 1.00 0.00 C ATOM 1341 CG2 VAL A 92 0.209 -1.770 -4.170 1.00 0.00 C ATOM 0 H VAL A 92 -0.390 -2.303 -6.662 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.046 0.523 -5.909 1.00 0.00 H new ATOM 0 HB VAL A 92 1.871 -1.741 -5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.482 -0.421 -3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.669 0.516 -5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.266 0.800 -3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.775 -2.201 -3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.536 -1.078 -3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.290 -2.566 -4.722 1.00 0.00 H new ATOM 1351 N ALA A 93 1.859 1.175 -7.374 1.00 0.00 N ATOM 1352 CA ALA A 93 2.747 1.661 -8.417 1.00 0.00 C ATOM 1353 C ALA A 93 4.126 1.940 -7.817 1.00 0.00 C ATOM 1354 O ALA A 93 4.232 2.404 -6.683 1.00 0.00 O ATOM 1355 CB ALA A 93 2.134 2.900 -9.072 1.00 0.00 C ATOM 0 H ALA A 93 1.706 1.828 -6.605 1.00 0.00 H new ATOM 0 HA ALA A 93 2.873 0.909 -9.196 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.800 3.265 -9.854 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.169 2.641 -9.508 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.996 3.678 -8.321 1.00 0.00 H new ATOM 1361 N LYS A 94 5.150 1.645 -8.606 1.00 0.00 N ATOM 1362 CA LYS A 94 6.518 1.859 -8.167 1.00 0.00 C ATOM 1363 C LYS A 94 6.766 3.359 -7.995 1.00 0.00 C ATOM 1364 O LYS A 94 7.083 4.053 -8.960 1.00 0.00 O ATOM 1365 CB LYS A 94 7.500 1.179 -9.124 1.00 0.00 C ATOM 1366 CG LYS A 94 8.431 0.228 -8.370 1.00 0.00 C ATOM 1367 CD LYS A 94 9.514 1.003 -7.617 1.00 0.00 C ATOM 1368 CE LYS A 94 10.502 1.650 -8.590 1.00 0.00 C ATOM 1369 NZ LYS A 94 11.891 1.273 -8.247 1.00 0.00 N ATOM 0 H LYS A 94 5.059 1.260 -9.546 1.00 0.00 H new ATOM 0 HA LYS A 94 6.683 1.395 -7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.948 0.626 -9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.089 1.935 -9.643 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.853 -0.371 -7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.896 -0.464 -9.072 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.052 1.772 -6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.047 0.330 -6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.275 1.337 -9.609 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.395 2.734 -8.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.548 1.721 -8.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.109 1.593 -7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.993 0.239 -8.300 1.00 0.00 H new ATOM 1383 N SER A 95 6.612 3.814 -6.761 1.00 0.00 N ATOM 1384 CA SER A 95 6.816 5.219 -6.450 1.00 0.00 C ATOM 1385 C SER A 95 8.293 5.479 -6.147 1.00 0.00 C ATOM 1386 O SER A 95 9.074 4.541 -5.998 1.00 0.00 O ATOM 1387 CB SER A 95 5.947 5.653 -5.268 1.00 0.00 C ATOM 1388 OG SER A 95 4.629 6.009 -5.677 1.00 0.00 O ATOM 0 H SER A 95 6.348 3.235 -5.964 1.00 0.00 H new ATOM 0 HA SER A 95 6.521 5.808 -7.318 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.894 4.843 -4.540 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.413 6.502 -4.768 1.00 0.00 H new ATOM 0 HG SER A 95 4.105 6.278 -4.894 1.00 0.00 H new ATOM 1394 N ASP A 96 8.630 6.758 -6.065 1.00 0.00 N ATOM 1395 CA ASP A 96 10.000 7.153 -5.782 1.00 0.00 C ATOM 1396 C ASP A 96 10.208 7.208 -4.267 1.00 0.00 C ATOM 1397 O ASP A 96 9.259 7.050 -3.501 1.00 0.00 O ATOM 1398 CB ASP A 96 10.300 8.541 -6.351 1.00 0.00 C ATOM 1399 CG ASP A 96 10.198 8.652 -7.873 1.00 0.00 C ATOM 1400 OD1 ASP A 96 10.615 7.682 -8.542 1.00 0.00 O ATOM 1401 OD2 ASP A 96 9.706 9.705 -8.334 1.00 0.00 O ATOM 0 H ASP A 96 7.979 7.533 -6.189 1.00 0.00 H new ATOM 0 HA ASP A 96 10.664 6.422 -6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 96 9.612 9.257 -5.903 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.306 8.832 -6.047 1.00 0.00 H new ATOM 1406 N VAL A 97 11.455 7.432 -3.881 1.00 0.00 N ATOM 1407 CA VAL A 97 11.800 7.509 -2.472 1.00 0.00 C ATOM 1408 C VAL A 97 11.168 8.763 -1.865 1.00 0.00 C ATOM 1409 O VAL A 97 10.521 8.694 -0.821 1.00 0.00 O ATOM 1410 CB VAL A 97 13.320 7.464 -2.302 1.00 0.00 C ATOM 1411 CG1 VAL A 97 13.716 7.707 -0.844 1.00 0.00 C ATOM 1412 CG2 VAL A 97 13.889 6.138 -2.811 1.00 0.00 C ATOM 0 H VAL A 97 12.239 7.563 -4.520 1.00 0.00 H new ATOM 0 HA VAL A 97 11.400 6.650 -1.933 1.00 0.00 H new ATOM 0 HB VAL A 97 13.749 8.266 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.801 7.670 -0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.358 8.687 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.271 6.938 -0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.971 6.132 -2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.450 5.314 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 97 13.652 6.022 -3.869 1.00 0.00 H new ATOM 1422 N GLU A 98 11.377 9.881 -2.545 1.00 0.00 N ATOM 1423 CA GLU A 98 10.835 11.149 -2.086 1.00 0.00 C ATOM 1424 C GLU A 98 9.393 10.968 -1.608 1.00 0.00 C ATOM 1425 O GLU A 98 9.063 11.311 -0.474 1.00 0.00 O ATOM 1426 CB GLU A 98 10.921 12.211 -3.183 1.00 0.00 C ATOM 1427 CG GLU A 98 12.377 12.509 -3.546 1.00 0.00 C ATOM 1428 CD GLU A 98 12.470 13.240 -4.887 1.00 0.00 C ATOM 1429 OE1 GLU A 98 12.020 14.406 -4.930 1.00 0.00 O ATOM 1430 OE2 GLU A 98 12.988 12.617 -5.838 1.00 0.00 O ATOM 0 H GLU A 98 11.914 9.935 -3.410 1.00 0.00 H new ATOM 0 HA GLU A 98 11.435 11.495 -1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.385 11.869 -4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.432 13.126 -2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.833 13.116 -2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.941 11.578 -3.596 1.00 0.00 H new ATOM 1437 N THR A 99 8.572 10.431 -2.499 1.00 0.00 N ATOM 1438 CA THR A 99 7.172 10.201 -2.183 1.00 0.00 C ATOM 1439 C THR A 99 7.023 9.730 -0.734 1.00 0.00 C ATOM 1440 O THR A 99 6.338 10.369 0.062 1.00 0.00 O ATOM 1441 CB THR A 99 6.614 9.209 -3.204 1.00 0.00 C ATOM 1442 OG1 THR A 99 6.365 10.004 -4.360 1.00 0.00 O ATOM 1443 CG2 THR A 99 5.233 8.679 -2.812 1.00 0.00 C ATOM 0 H THR A 99 8.849 10.149 -3.439 1.00 0.00 H new ATOM 0 HA THR A 99 6.594 11.122 -2.254 1.00 0.00 H new ATOM 0 HB THR A 99 7.306 8.374 -3.313 1.00 0.00 H new ATOM 0 HG1 THR A 99 6.002 9.439 -5.074 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.883 7.979 -3.571 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.298 8.170 -1.851 1.00 0.00 H new ATOM 0 HG23 THR A 99 4.533 9.511 -2.735 1.00 0.00 H new ATOM 1451 N ALA A 100 7.676 8.616 -0.437 1.00 0.00 N ATOM 1452 CA ALA A 100 7.625 8.053 0.901 1.00 0.00 C ATOM 1453 C ALA A 100 8.060 9.114 1.913 1.00 0.00 C ATOM 1454 O ALA A 100 7.344 9.392 2.874 1.00 0.00 O ATOM 1455 CB ALA A 100 8.497 6.797 0.960 1.00 0.00 C ATOM 0 H ALA A 100 8.243 8.088 -1.100 1.00 0.00 H new ATOM 0 HA ALA A 100 6.607 7.755 1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.459 6.374 1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.128 6.064 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.527 7.057 0.715 1.00 0.00 H new ATOM 1461 N LYS A 101 9.234 9.677 1.664 1.00 0.00 N ATOM 1462 CA LYS A 101 9.773 10.701 2.543 1.00 0.00 C ATOM 1463 C LYS A 101 8.670 11.702 2.891 1.00 0.00 C ATOM 1464 O LYS A 101 8.492 12.055 4.055 1.00 0.00 O ATOM 1465 CB LYS A 101 11.012 11.345 1.917 1.00 0.00 C ATOM 1466 CG LYS A 101 12.253 10.479 2.141 1.00 0.00 C ATOM 1467 CD LYS A 101 13.160 10.491 0.909 1.00 0.00 C ATOM 1468 CE LYS A 101 13.931 11.809 0.809 1.00 0.00 C ATOM 1469 NZ LYS A 101 14.389 12.037 -0.580 1.00 0.00 N ATOM 0 H LYS A 101 9.826 9.444 0.867 1.00 0.00 H new ATOM 0 HA LYS A 101 10.110 10.259 3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.852 11.487 0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.171 12.333 2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.805 10.845 3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.951 9.456 2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.861 9.658 0.961 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.561 10.347 0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.295 12.634 1.129 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.788 11.788 1.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.428 12.086 -0.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.068 11.254 -1.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.994 12.932 -0.933 1.00 0.00 H new ATOM 1483 N LYS A 102 7.957 12.131 1.859 1.00 0.00 N ATOM 1484 CA LYS A 102 6.875 13.084 2.042 1.00 0.00 C ATOM 1485 C LYS A 102 5.834 12.491 2.993 1.00 0.00 C ATOM 1486 O LYS A 102 5.260 13.205 3.814 1.00 0.00 O ATOM 1487 CB LYS A 102 6.301 13.508 0.689 1.00 0.00 C ATOM 1488 CG LYS A 102 7.294 14.385 -0.077 1.00 0.00 C ATOM 1489 CD LYS A 102 7.000 14.364 -1.579 1.00 0.00 C ATOM 1490 CE LYS A 102 7.596 15.591 -2.272 1.00 0.00 C ATOM 1491 NZ LYS A 102 6.622 16.176 -3.220 1.00 0.00 N ATOM 0 H LYS A 102 8.107 11.836 0.894 1.00 0.00 H new ATOM 0 HA LYS A 102 7.246 13.998 2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.061 12.624 0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.369 14.054 0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.241 15.409 0.293 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.310 14.033 0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.412 13.457 -2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.923 14.338 -1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.879 16.335 -1.527 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.505 15.310 -2.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.043 17.008 -3.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.372 15.469 -3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.765 16.463 -2.705 1.00 0.00 H new ATOM 1505 N ILE A 103 5.621 11.191 2.850 1.00 0.00 N ATOM 1506 CA ILE A 103 4.658 10.494 3.686 1.00 0.00 C ATOM 1507 C ILE A 103 5.196 10.413 5.116 1.00 0.00 C ATOM 1508 O ILE A 103 4.424 10.406 6.074 1.00 0.00 O ATOM 1509 CB ILE A 103 4.311 9.132 3.082 1.00 0.00 C ATOM 1510 CG1 ILE A 103 3.814 9.281 1.642 1.00 0.00 C ATOM 1511 CG2 ILE A 103 3.307 8.383 3.960 1.00 0.00 C ATOM 1512 CD1 ILE A 103 2.296 9.465 1.603 1.00 0.00 C ATOM 0 H ILE A 103 6.099 10.602 2.168 1.00 0.00 H new ATOM 0 HA ILE A 103 3.719 11.047 3.728 1.00 0.00 H new ATOM 0 HB ILE A 103 5.220 8.532 3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.300 10.136 1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.092 8.400 1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.077 7.418 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.735 8.227 4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.392 8.969 4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.969 9.569 0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.813 8.597 2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.024 10.361 2.161 1.00 0.00 H new ATOM 1524 N HIS A 104 6.516 10.354 5.216 1.00 0.00 N ATOM 1525 CA HIS A 104 7.166 10.274 6.513 1.00 0.00 C ATOM 1526 C HIS A 104 6.829 11.520 7.334 1.00 0.00 C ATOM 1527 O HIS A 104 6.559 12.582 6.774 1.00 0.00 O ATOM 1528 CB HIS A 104 8.672 10.058 6.354 1.00 0.00 C ATOM 1529 CG HIS A 104 9.035 8.811 5.583 1.00 0.00 C ATOM 1530 ND1 HIS A 104 8.265 7.968 4.838 1.00 0.00 N flip ATOM 1531 CD2 HIS A 104 10.326 8.314 5.527 1.00 0.00 C flip ATOM 1532 CE1 HIS A 104 9.043 7.008 4.352 1.00 0.00 C flip ATOM 1533 NE2 HIS A 104 10.321 7.220 4.779 1.00 0.00 N flip ATOM 0 H HIS A 104 7.153 10.360 4.420 1.00 0.00 H new ATOM 0 HA HIS A 104 6.790 9.409 7.059 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.102 10.923 5.849 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.128 10.007 7.343 1.00 0.00 H new ATOM 0 HD2 HIS A 104 11.190 8.745 6.011 1.00 0.00 H new ATOM 0 HE1 HIS A 104 8.717 6.193 3.722 1.00 0.00 H new ATOM 0 HE2 HIS A 104 11.130 6.639 4.561 1.00 0.00 H new