USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 SER OG : rot -120:sc= 0.221 USER MOD Single : A 8 LYS NZ :NH3+ 157:sc= -0.0926 (180deg=-0.47) USER MOD Single : A 9 CYS SG : rot 47:sc= 0.973 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.278 F(o=-2.1,f=-0.28) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.723! C(o=-0.72!,f=-4!) USER MOD Single : A 21 THR OG1 : rot -57:sc= 0.222 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -173:sc= -1.24 (180deg=-1.36) USER MOD Single : A 31 MET CE :methyl -166:sc= -1.47 (180deg=-1.62) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0427 USER MOD Single : A 37 CYS SG : rot -69:sc= 1.48 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0919 K(o=-0.092,f=-1.6) USER MOD Single : A 54 ASN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -161:sc= 1.24 (180deg=-0.315) USER MOD Single : A 65 SER OG : rot 180:sc= 0.02 USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N PHE A 2 -2.333 5.274 9.781 1.00 22.34 N ATOM 19 CA PHE A 2 -2.808 4.002 9.254 1.00 12.12 C ATOM 20 C PHE A 2 -1.856 3.524 8.165 1.00 41.51 C ATOM 21 O PHE A 2 -1.769 4.129 7.100 1.00 12.22 O ATOM 22 CB PHE A 2 -4.231 4.150 8.701 1.00 12.02 C ATOM 23 CG PHE A 2 -4.856 2.856 8.255 1.00 31.34 C ATOM 24 CD1 PHE A 2 -5.487 2.028 9.166 1.00 53.22 C ATOM 25 CD2 PHE A 2 -4.815 2.473 6.924 1.00 31.43 C ATOM 26 CE1 PHE A 2 -6.066 0.842 8.760 1.00 23.01 C ATOM 27 CE2 PHE A 2 -5.392 1.288 6.512 1.00 3.13 C ATOM 28 CZ PHE A 2 -6.018 0.472 7.431 1.00 31.22 C ATOM 0 HA PHE A 2 -2.834 3.264 10.056 1.00 12.12 H new ATOM 0 HB2 PHE A 2 -4.862 4.600 9.467 1.00 12.02 H new ATOM 0 HB3 PHE A 2 -4.211 4.841 7.858 1.00 12.02 H new ATOM 0 HD1 PHE A 2 -5.527 2.313 10.207 1.00 53.22 H new ATOM 0 HD2 PHE A 2 -4.326 3.109 6.200 1.00 31.43 H new ATOM 0 HE1 PHE A 2 -6.556 0.205 9.481 1.00 23.01 H new ATOM 0 HE2 PHE A 2 -5.353 1.001 5.472 1.00 3.13 H new ATOM 0 HZ PHE A 2 -6.470 -0.455 7.111 1.00 31.22 H new ATOM 38 N SER A 3 -1.138 2.450 8.444 1.00 20.33 N ATOM 39 CA SER A 3 -0.104 1.969 7.541 1.00 62.12 C ATOM 40 C SER A 3 -0.681 1.062 6.454 1.00 23.45 C ATOM 41 O SER A 3 -1.777 0.518 6.598 1.00 1.14 O ATOM 42 CB SER A 3 0.964 1.230 8.344 1.00 34.25 C ATOM 43 OG SER A 3 0.369 0.293 9.223 1.00 44.24 O ATOM 0 H SER A 3 -1.252 1.892 9.291 1.00 20.33 H new ATOM 0 HA SER A 3 0.343 2.828 7.040 1.00 62.12 H new ATOM 0 HB2 SER A 3 1.647 0.718 7.666 1.00 34.25 H new ATOM 0 HB3 SER A 3 1.558 1.945 8.914 1.00 34.25 H new ATOM 0 HG SER A 3 0.611 0.512 10.147 1.00 44.24 H new ATOM 49 N LEU A 4 0.072 0.901 5.373 1.00 64.52 N ATOM 50 CA LEU A 4 -0.343 0.052 4.258 1.00 21.04 C ATOM 51 C LEU A 4 -0.369 -1.418 4.680 1.00 3.33 C ATOM 52 O LEU A 4 -1.183 -2.200 4.197 1.00 15.23 O ATOM 53 CB LEU A 4 0.599 0.250 3.065 1.00 44.32 C ATOM 54 CG LEU A 4 0.218 -0.508 1.791 1.00 13.43 C ATOM 55 CD1 LEU A 4 -1.159 -0.085 1.304 1.00 52.32 C ATOM 56 CD2 LEU A 4 1.256 -0.272 0.706 1.00 32.52 C ATOM 0 H LEU A 4 0.979 1.349 5.243 1.00 64.52 H new ATOM 0 HA LEU A 4 -1.351 0.339 3.960 1.00 21.04 H new ATOM 0 HB2 LEU A 4 0.645 1.314 2.834 1.00 44.32 H new ATOM 0 HB3 LEU A 4 1.602 -0.055 3.362 1.00 44.32 H new ATOM 0 HG LEU A 4 0.188 -1.573 2.022 1.00 13.43 H new ATOM 0 HD11 LEU A 4 -1.410 -0.636 0.398 1.00 52.32 H new ATOM 0 HD12 LEU A 4 -1.899 -0.299 2.075 1.00 52.32 H new ATOM 0 HD13 LEU A 4 -1.157 0.984 1.090 1.00 52.32 H new ATOM 0 HD21 LEU A 4 0.972 -0.817 -0.194 1.00 32.52 H new ATOM 0 HD22 LEU A 4 1.313 0.793 0.482 1.00 32.52 H new ATOM 0 HD23 LEU A 4 2.229 -0.623 1.051 1.00 32.52 H new ATOM 68 N ARG A 5 0.514 -1.775 5.605 1.00 74.51 N ATOM 69 CA ARG A 5 0.590 -3.143 6.119 1.00 35.13 C ATOM 70 C ARG A 5 -0.579 -3.438 7.051 1.00 55.43 C ATOM 71 O ARG A 5 -0.755 -4.566 7.508 1.00 52.23 O ATOM 72 CB ARG A 5 1.919 -3.350 6.857 1.00 53.13 C ATOM 73 CG ARG A 5 2.106 -2.419 8.044 1.00 51.20 C ATOM 74 CD ARG A 5 1.653 -3.053 9.349 1.00 13.24 C ATOM 75 NE ARG A 5 1.113 -2.056 10.271 1.00 3.14 N ATOM 76 CZ ARG A 5 1.421 -1.970 11.561 1.00 33.44 C ATOM 77 NH1 ARG A 5 2.417 -2.689 12.062 1.00 64.13 N ATOM 78 NH2 ARG A 5 0.770 -1.112 12.341 1.00 21.02 N ATOM 0 H ARG A 5 1.192 -1.135 6.018 1.00 74.51 H new ATOM 0 HA ARG A 5 0.536 -3.832 5.276 1.00 35.13 H new ATOM 0 HB2 ARG A 5 1.976 -4.382 7.203 1.00 53.13 H new ATOM 0 HB3 ARG A 5 2.741 -3.202 6.157 1.00 53.13 H new ATOM 0 HG2 ARG A 5 3.157 -2.141 8.123 1.00 51.20 H new ATOM 0 HG3 ARG A 5 1.545 -1.500 7.875 1.00 51.20 H new ATOM 0 HD2 ARG A 5 0.894 -3.808 9.143 1.00 13.24 H new ATOM 0 HD3 ARG A 5 2.494 -3.565 9.817 1.00 13.24 H new ATOM 0 HE ARG A 5 0.451 -1.376 9.897 1.00 3.14 H new ATOM 0 HH11 ARG A 5 2.951 -3.312 11.456 1.00 64.13 H new ATOM 0 HH12 ARG A 5 2.649 -2.619 13.053 1.00 64.13 H new ATOM 0 HH21 ARG A 5 0.036 -0.522 11.949 1.00 21.02 H new ATOM 0 HH22 ARG A 5 1.004 -1.044 13.331 1.00 21.02 H new ATOM 92 N ASP A 6 -1.360 -2.410 7.341 1.00 51.42 N ATOM 93 CA ASP A 6 -2.482 -2.525 8.261 1.00 51.32 C ATOM 94 C ASP A 6 -3.768 -2.761 7.476 1.00 61.51 C ATOM 95 O ASP A 6 -4.859 -2.888 8.040 1.00 63.02 O ATOM 96 CB ASP A 6 -2.579 -1.243 9.091 1.00 62.13 C ATOM 97 CG ASP A 6 -3.445 -1.368 10.329 1.00 70.34 C ATOM 98 OD1 ASP A 6 -3.740 -2.501 10.762 1.00 51.30 O ATOM 99 OD2 ASP A 6 -3.797 -0.318 10.902 1.00 31.01 O ATOM 0 H ASP A 6 -1.236 -1.477 6.948 1.00 51.42 H new ATOM 0 HA ASP A 6 -2.331 -3.371 8.932 1.00 51.32 H new ATOM 0 HB2 ASP A 6 -1.576 -0.942 9.392 1.00 62.13 H new ATOM 0 HB3 ASP A 6 -2.976 -0.446 8.463 1.00 62.13 H new ATOM 105 N ALA A 7 -3.629 -2.821 6.161 1.00 23.53 N ATOM 106 CA ALA A 7 -4.758 -3.074 5.283 1.00 55.35 C ATOM 107 C ALA A 7 -4.955 -4.570 5.084 1.00 34.44 C ATOM 108 O ALA A 7 -4.000 -5.307 4.840 1.00 34.33 O ATOM 109 CB ALA A 7 -4.561 -2.378 3.947 1.00 30.53 C ATOM 0 H ALA A 7 -2.740 -2.697 5.677 1.00 23.53 H new ATOM 0 HA ALA A 7 -5.655 -2.669 5.751 1.00 55.35 H new ATOM 0 HB1 ALA A 7 -5.417 -2.579 3.302 1.00 30.53 H new ATOM 0 HB2 ALA A 7 -4.471 -1.303 4.106 1.00 30.53 H new ATOM 0 HB3 ALA A 7 -3.654 -2.752 3.472 1.00 30.53 H new ATOM 115 N LYS A 8 -6.200 -5.015 5.201 1.00 64.11 N ATOM 116 CA LYS A 8 -6.522 -6.427 5.057 1.00 40.15 C ATOM 117 C LYS A 8 -6.575 -6.841 3.592 1.00 64.43 C ATOM 118 O LYS A 8 -6.700 -6.003 2.696 1.00 33.42 O ATOM 119 CB LYS A 8 -7.858 -6.752 5.730 1.00 73.25 C ATOM 120 CG LYS A 8 -7.812 -6.724 7.249 1.00 31.20 C ATOM 121 CD LYS A 8 -6.774 -7.694 7.793 1.00 2.43 C ATOM 122 CE LYS A 8 -6.996 -7.975 9.271 1.00 73.41 C ATOM 123 NZ LYS A 8 -8.279 -8.686 9.507 1.00 64.31 N ATOM 0 H LYS A 8 -7.003 -4.417 5.395 1.00 64.11 H new ATOM 0 HA LYS A 8 -5.727 -6.990 5.547 1.00 40.15 H new ATOM 0 HB2 LYS A 8 -8.608 -6.039 5.387 1.00 73.25 H new ATOM 0 HB3 LYS A 8 -8.185 -7.740 5.405 1.00 73.25 H new ATOM 0 HG2 LYS A 8 -7.581 -5.714 7.589 1.00 31.20 H new ATOM 0 HG3 LYS A 8 -8.794 -6.978 7.649 1.00 31.20 H new ATOM 0 HD2 LYS A 8 -6.818 -8.628 7.233 1.00 2.43 H new ATOM 0 HD3 LYS A 8 -5.776 -7.281 7.646 1.00 2.43 H new ATOM 0 HE2 LYS A 8 -6.171 -8.575 9.656 1.00 73.41 H new ATOM 0 HE3 LYS A 8 -6.993 -7.036 9.825 1.00 73.41 H new ATOM 0 HZ1 LYS A 8 -8.232 -9.196 10.412 1.00 64.31 H new ATOM 0 HZ2 LYS A 8 -9.057 -7.997 9.539 1.00 64.31 H new ATOM 0 HZ3 LYS A 8 -8.448 -9.363 8.736 1.00 64.31 H new ATOM 137 N CYS A 9 -6.486 -8.144 3.369 1.00 44.11 N ATOM 138 CA CYS A 9 -6.537 -8.712 2.033 1.00 74.42 C ATOM 139 C CYS A 9 -7.912 -8.494 1.404 1.00 11.34 C ATOM 140 O CYS A 9 -8.941 -8.730 2.040 1.00 32.44 O ATOM 141 CB CYS A 9 -6.219 -10.209 2.105 1.00 65.51 C ATOM 142 SG CYS A 9 -6.439 -11.106 0.550 1.00 11.11 S ATOM 0 H CYS A 9 -6.376 -8.836 4.110 1.00 44.11 H new ATOM 0 HA CYS A 9 -5.797 -8.213 1.408 1.00 74.42 H new ATOM 0 HB2 CYS A 9 -5.188 -10.332 2.436 1.00 65.51 H new ATOM 0 HB3 CYS A 9 -6.854 -10.665 2.864 1.00 65.51 H new ATOM 0 HG CYS A 9 -5.875 -10.444 -0.416 1.00 11.11 H new ATOM 148 N GLY A 10 -7.918 -8.022 0.165 1.00 72.33 N ATOM 149 CA GLY A 10 -9.161 -7.851 -0.562 1.00 52.45 C ATOM 150 C GLY A 10 -9.712 -6.445 -0.454 1.00 21.45 C ATOM 151 O GLY A 10 -10.800 -6.157 -0.958 1.00 22.32 O ATOM 0 H GLY A 10 -7.081 -7.753 -0.352 1.00 72.33 H new ATOM 0 HA2 GLY A 10 -8.999 -8.094 -1.612 1.00 52.45 H new ATOM 0 HA3 GLY A 10 -9.900 -8.557 -0.182 1.00 52.45 H new ATOM 155 N GLN A 11 -8.973 -5.565 0.203 1.00 11.40 N ATOM 156 CA GLN A 11 -9.411 -4.189 0.375 1.00 74.11 C ATOM 157 C GLN A 11 -8.581 -3.241 -0.481 1.00 62.15 C ATOM 158 O GLN A 11 -7.392 -3.473 -0.712 1.00 13.34 O ATOM 159 CB GLN A 11 -9.312 -3.774 1.842 1.00 44.33 C ATOM 160 CG GLN A 11 -10.172 -4.609 2.777 1.00 61.13 C ATOM 161 CD GLN A 11 -10.100 -4.134 4.214 1.00 31.25 C ATOM 162 OE1 GLN A 11 -8.968 -3.561 4.596 1.00 33.13 O flip ATOM 163 NE2 GLN A 11 -11.055 -4.278 4.975 1.00 32.33 N flip ATOM 0 H GLN A 11 -8.069 -5.778 0.625 1.00 11.40 H new ATOM 0 HA GLN A 11 -10.451 -4.129 0.055 1.00 74.11 H new ATOM 0 HB2 GLN A 11 -8.272 -3.845 2.160 1.00 44.33 H new ATOM 0 HB3 GLN A 11 -9.603 -2.728 1.934 1.00 44.33 H new ATOM 0 HG2 GLN A 11 -11.208 -4.576 2.439 1.00 61.13 H new ATOM 0 HG3 GLN A 11 -9.853 -5.650 2.726 1.00 61.13 H new ATOM 0 HE21 GLN A 11 -11.910 -4.724 4.642 1.00 32.33 H new ATOM 0 HE22 GLN A 11 -10.993 -3.951 5.939 1.00 32.33 H new ATOM 172 N THR A 12 -9.216 -2.183 -0.956 1.00 42.13 N ATOM 173 CA THR A 12 -8.528 -1.151 -1.703 1.00 44.12 C ATOM 174 C THR A 12 -8.333 0.087 -0.831 1.00 14.25 C ATOM 175 O THR A 12 -9.300 0.723 -0.408 1.00 74.42 O ATOM 176 CB THR A 12 -9.304 -0.772 -2.981 1.00 2.12 C ATOM 177 OG1 THR A 12 -9.531 -1.942 -3.784 1.00 73.35 O ATOM 178 CG2 THR A 12 -8.540 0.262 -3.793 1.00 74.24 C ATOM 0 H THR A 12 -10.215 -2.018 -0.835 1.00 42.13 H new ATOM 0 HA THR A 12 -7.555 -1.544 -1.999 1.00 44.12 H new ATOM 0 HB THR A 12 -10.261 -0.343 -2.683 1.00 2.12 H new ATOM 0 HG1 THR A 12 -10.025 -1.693 -4.593 1.00 73.35 H new ATOM 0 HG21 THR A 12 -9.108 0.513 -4.689 1.00 74.24 H new ATOM 0 HG22 THR A 12 -8.394 1.160 -3.193 1.00 74.24 H new ATOM 0 HG23 THR A 12 -7.570 -0.145 -4.080 1.00 74.24 H new ATOM 186 N VAL A 13 -7.080 0.406 -0.546 1.00 44.34 N ATOM 187 CA VAL A 13 -6.747 1.571 0.258 1.00 72.05 C ATOM 188 C VAL A 13 -5.978 2.583 -0.580 1.00 23.23 C ATOM 189 O VAL A 13 -5.329 2.216 -1.554 1.00 52.23 O ATOM 190 CB VAL A 13 -5.913 1.186 1.496 1.00 0.15 C ATOM 191 CG1 VAL A 13 -6.743 0.361 2.469 1.00 63.23 C ATOM 192 CG2 VAL A 13 -4.662 0.422 1.085 1.00 55.52 C ATOM 0 H VAL A 13 -6.272 -0.130 -0.862 1.00 44.34 H new ATOM 0 HA VAL A 13 -7.682 2.013 0.602 1.00 72.05 H new ATOM 0 HB VAL A 13 -5.607 2.104 1.997 1.00 0.15 H new ATOM 0 HG11 VAL A 13 -6.135 0.100 3.335 1.00 63.23 H new ATOM 0 HG12 VAL A 13 -7.607 0.941 2.793 1.00 63.23 H new ATOM 0 HG13 VAL A 13 -7.082 -0.550 1.976 1.00 63.23 H new ATOM 0 HG21 VAL A 13 -4.088 0.160 1.973 1.00 55.52 H new ATOM 0 HG22 VAL A 13 -4.948 -0.487 0.556 1.00 55.52 H new ATOM 0 HG23 VAL A 13 -4.053 1.046 0.430 1.00 55.52 H new ATOM 202 N LYS A 14 -6.063 3.848 -0.215 1.00 12.34 N ATOM 203 CA LYS A 14 -5.413 4.900 -0.979 1.00 23.41 C ATOM 204 C LYS A 14 -4.218 5.470 -0.223 1.00 74.30 C ATOM 205 O LYS A 14 -4.339 5.849 0.941 1.00 24.43 O ATOM 206 CB LYS A 14 -6.426 5.998 -1.294 1.00 5.23 C ATOM 207 CG LYS A 14 -5.840 7.198 -2.020 1.00 62.42 C ATOM 208 CD LYS A 14 -6.933 8.152 -2.468 1.00 2.13 C ATOM 209 CE LYS A 14 -7.816 8.577 -1.307 1.00 0.41 C ATOM 210 NZ LYS A 14 -8.968 9.393 -1.763 1.00 54.33 N ATOM 0 H LYS A 14 -6.575 4.174 0.605 1.00 12.34 H new ATOM 0 HA LYS A 14 -5.039 4.477 -1.912 1.00 23.41 H new ATOM 0 HB2 LYS A 14 -7.226 5.575 -1.902 1.00 5.23 H new ATOM 0 HB3 LYS A 14 -6.879 6.337 -0.362 1.00 5.23 H new ATOM 0 HG2 LYS A 14 -5.144 7.720 -1.364 1.00 62.42 H new ATOM 0 HG3 LYS A 14 -5.270 6.861 -2.886 1.00 62.42 H new ATOM 0 HD2 LYS A 14 -6.483 9.033 -2.925 1.00 2.13 H new ATOM 0 HD3 LYS A 14 -7.543 7.673 -3.234 1.00 2.13 H new ATOM 0 HE2 LYS A 14 -8.181 7.693 -0.785 1.00 0.41 H new ATOM 0 HE3 LYS A 14 -7.226 9.149 -0.591 1.00 0.41 H new ATOM 0 HZ1 LYS A 14 -9.547 9.664 -0.943 1.00 54.33 H new ATOM 0 HZ2 LYS A 14 -8.620 10.249 -2.239 1.00 54.33 H new ATOM 0 HZ3 LYS A 14 -9.545 8.838 -2.427 1.00 54.33 H new ATOM 224 N VAL A 15 -3.072 5.520 -0.893 1.00 1.42 N ATOM 225 CA VAL A 15 -1.842 6.018 -0.290 1.00 61.15 C ATOM 226 C VAL A 15 -1.915 7.523 -0.087 1.00 23.32 C ATOM 227 O VAL A 15 -2.209 8.269 -1.025 1.00 64.15 O ATOM 228 CB VAL A 15 -0.607 5.687 -1.156 1.00 55.44 C ATOM 229 CG1 VAL A 15 0.667 6.219 -0.518 1.00 34.55 C ATOM 230 CG2 VAL A 15 -0.506 4.193 -1.384 1.00 20.11 C ATOM 0 H VAL A 15 -2.970 5.219 -1.862 1.00 1.42 H new ATOM 0 HA VAL A 15 -1.736 5.521 0.674 1.00 61.15 H new ATOM 0 HB VAL A 15 -0.729 6.178 -2.121 1.00 55.44 H new ATOM 0 HG11 VAL A 15 1.521 5.972 -1.149 1.00 34.55 H new ATOM 0 HG12 VAL A 15 0.596 7.301 -0.411 1.00 34.55 H new ATOM 0 HG13 VAL A 15 0.799 5.766 0.464 1.00 34.55 H new ATOM 0 HG21 VAL A 15 0.370 3.977 -1.996 1.00 20.11 H new ATOM 0 HG22 VAL A 15 -0.413 3.684 -0.425 1.00 20.11 H new ATOM 0 HG23 VAL A 15 -1.402 3.842 -1.896 1.00 20.11 H new ATOM 240 N VAL A 16 -1.641 7.967 1.130 1.00 54.22 N ATOM 241 CA VAL A 16 -1.744 9.380 1.455 1.00 35.42 C ATOM 242 C VAL A 16 -0.392 10.009 1.751 1.00 15.32 C ATOM 243 O VAL A 16 -0.123 11.128 1.314 1.00 42.22 O ATOM 244 CB VAL A 16 -2.709 9.636 2.634 1.00 21.40 C ATOM 245 CG1 VAL A 16 -4.149 9.480 2.181 1.00 11.34 C ATOM 246 CG2 VAL A 16 -2.421 8.699 3.796 1.00 54.45 C ATOM 0 H VAL A 16 -1.347 7.372 1.905 1.00 54.22 H new ATOM 0 HA VAL A 16 -2.151 9.857 0.563 1.00 35.42 H new ATOM 0 HB VAL A 16 -2.553 10.659 2.978 1.00 21.40 H new ATOM 0 HG11 VAL A 16 -4.817 9.663 3.023 1.00 11.34 H new ATOM 0 HG12 VAL A 16 -4.360 10.196 1.387 1.00 11.34 H new ATOM 0 HG13 VAL A 16 -4.305 8.468 1.807 1.00 11.34 H new ATOM 0 HG21 VAL A 16 -3.117 8.904 4.610 1.00 54.45 H new ATOM 0 HG22 VAL A 16 -2.540 7.666 3.469 1.00 54.45 H new ATOM 0 HG23 VAL A 16 -1.400 8.854 4.144 1.00 54.45 H new ATOM 256 N LYS A 17 0.459 9.308 2.482 1.00 40.50 N ATOM 257 CA LYS A 17 1.769 9.841 2.808 1.00 52.11 C ATOM 258 C LYS A 17 2.816 8.743 2.835 1.00 22.23 C ATOM 259 O LYS A 17 2.509 7.578 3.094 1.00 70.34 O ATOM 260 CB LYS A 17 1.731 10.558 4.150 1.00 34.34 C ATOM 261 CG LYS A 17 1.999 12.051 4.059 1.00 21.35 C ATOM 262 CD LYS A 17 2.020 12.706 5.432 1.00 32.15 C ATOM 263 CE LYS A 17 0.711 12.501 6.176 1.00 20.41 C ATOM 264 NZ LYS A 17 0.691 13.216 7.481 1.00 20.11 N ATOM 0 H LYS A 17 0.268 8.379 2.857 1.00 40.50 H new ATOM 0 HA LYS A 17 2.043 10.555 2.031 1.00 52.11 H new ATOM 0 HB2 LYS A 17 0.754 10.402 4.607 1.00 34.34 H new ATOM 0 HB3 LYS A 17 2.469 10.106 4.813 1.00 34.34 H new ATOM 0 HG2 LYS A 17 2.954 12.219 3.561 1.00 21.35 H new ATOM 0 HG3 LYS A 17 1.232 12.521 3.444 1.00 21.35 H new ATOM 0 HD2 LYS A 17 2.840 12.293 6.019 1.00 32.15 H new ATOM 0 HD3 LYS A 17 2.212 13.773 5.323 1.00 32.15 H new ATOM 0 HE2 LYS A 17 -0.115 12.852 5.558 1.00 20.41 H new ATOM 0 HE3 LYS A 17 0.553 11.436 6.344 1.00 20.41 H new ATOM 0 HZ1 LYS A 17 -0.220 13.049 7.954 1.00 20.11 H new ATOM 0 HZ2 LYS A 17 1.463 12.864 8.082 1.00 20.11 H new ATOM 0 HZ3 LYS A 17 0.815 14.236 7.320 1.00 20.11 H new ATOM 278 N LEU A 18 4.053 9.128 2.574 1.00 33.52 N ATOM 279 CA LEU A 18 5.156 8.188 2.510 1.00 61.03 C ATOM 280 C LEU A 18 6.258 8.601 3.478 1.00 44.13 C ATOM 281 O LEU A 18 6.741 9.730 3.432 1.00 31.40 O ATOM 282 CB LEU A 18 5.708 8.142 1.083 1.00 41.54 C ATOM 283 CG LEU A 18 4.699 7.739 0.002 1.00 50.35 C ATOM 284 CD1 LEU A 18 5.300 7.948 -1.378 1.00 25.34 C ATOM 285 CD2 LEU A 18 4.284 6.287 0.176 1.00 60.53 C ATOM 0 H LEU A 18 4.320 10.097 2.401 1.00 33.52 H new ATOM 0 HA LEU A 18 4.796 7.198 2.791 1.00 61.03 H new ATOM 0 HB2 LEU A 18 6.109 9.125 0.834 1.00 41.54 H new ATOM 0 HB3 LEU A 18 6.543 7.442 1.057 1.00 41.54 H new ATOM 0 HG LEU A 18 3.814 8.368 0.102 1.00 50.35 H new ATOM 0 HD11 LEU A 18 4.575 7.659 -2.138 1.00 25.34 H new ATOM 0 HD12 LEU A 18 5.560 8.999 -1.506 1.00 25.34 H new ATOM 0 HD13 LEU A 18 6.197 7.337 -1.481 1.00 25.34 H new ATOM 0 HD21 LEU A 18 3.567 6.018 -0.600 1.00 60.53 H new ATOM 0 HD22 LEU A 18 5.162 5.646 0.097 1.00 60.53 H new ATOM 0 HD23 LEU A 18 3.825 6.155 1.156 1.00 60.53 H new ATOM 297 N HIS A 19 6.633 7.699 4.366 1.00 13.20 N ATOM 298 CA HIS A 19 7.741 7.943 5.277 1.00 21.32 C ATOM 299 C HIS A 19 9.031 7.394 4.678 1.00 54.22 C ATOM 300 O HIS A 19 8.997 6.460 3.879 1.00 22.13 O ATOM 301 CB HIS A 19 7.479 7.294 6.642 1.00 2.01 C ATOM 302 CG HIS A 19 6.286 7.852 7.359 1.00 24.54 C ATOM 303 ND1 HIS A 19 6.390 8.755 8.388 1.00 13.10 N ATOM 304 CD2 HIS A 19 4.958 7.642 7.184 1.00 23.04 C ATOM 305 CE1 HIS A 19 5.186 9.082 8.806 1.00 3.02 C ATOM 306 NE2 HIS A 19 4.296 8.422 8.096 1.00 62.25 N ATOM 0 H HIS A 19 6.187 6.788 4.478 1.00 13.20 H new ATOM 0 HA HIS A 19 7.838 9.019 5.423 1.00 21.32 H new ATOM 0 HB2 HIS A 19 7.339 6.222 6.503 1.00 2.01 H new ATOM 0 HB3 HIS A 19 8.361 7.422 7.270 1.00 2.01 H new ATOM 0 HD2 HIS A 19 4.505 6.982 6.459 1.00 23.04 H new ATOM 0 HE1 HIS A 19 4.964 9.778 9.601 1.00 3.02 H new ATOM 0 HE2 HIS A 19 3.284 8.481 8.206 1.00 62.25 H new ATOM 315 N GLY A 20 10.157 7.981 5.048 1.00 14.21 N ATOM 316 CA GLY A 20 11.434 7.509 4.551 1.00 40.41 C ATOM 317 C GLY A 20 12.433 8.630 4.374 1.00 62.04 C ATOM 318 O GLY A 20 12.055 9.798 4.299 1.00 70.21 O ATOM 0 H GLY A 20 10.211 8.777 5.684 1.00 14.21 H new ATOM 0 HA2 GLY A 20 11.839 6.770 5.242 1.00 40.41 H new ATOM 0 HA3 GLY A 20 11.285 7.004 3.596 1.00 40.41 H new ATOM 322 N THR A 21 13.706 8.276 4.301 1.00 41.03 N ATOM 323 CA THR A 21 14.773 9.259 4.169 1.00 3.25 C ATOM 324 C THR A 21 15.082 9.552 2.691 1.00 1.14 C ATOM 325 O THR A 21 16.217 9.430 2.226 1.00 25.01 O ATOM 326 CB THR A 21 16.042 8.784 4.925 1.00 11.02 C ATOM 327 OG1 THR A 21 17.073 9.781 4.876 1.00 53.40 O ATOM 328 CG2 THR A 21 16.569 7.462 4.373 1.00 13.53 C ATOM 0 H THR A 21 14.028 7.309 4.331 1.00 41.03 H new ATOM 0 HA THR A 21 14.435 10.192 4.621 1.00 3.25 H new ATOM 0 HB THR A 21 15.753 8.625 5.964 1.00 11.02 H new ATOM 0 HG1 THR A 21 17.283 9.989 3.942 1.00 53.40 H new ATOM 0 HG21 THR A 21 17.458 7.164 4.929 1.00 13.53 H new ATOM 0 HG22 THR A 21 15.803 6.694 4.475 1.00 13.53 H new ATOM 0 HG23 THR A 21 16.824 7.583 3.320 1.00 13.53 H new ATOM 336 N GLY A 22 14.051 9.942 1.952 1.00 40.14 N ATOM 337 CA GLY A 22 14.221 10.293 0.553 1.00 24.44 C ATOM 338 C GLY A 22 14.382 9.082 -0.347 1.00 11.45 C ATOM 339 O GLY A 22 13.525 8.809 -1.187 1.00 25.34 O ATOM 0 H GLY A 22 13.095 10.022 2.298 1.00 40.14 H new ATOM 0 HA2 GLY A 22 13.359 10.873 0.222 1.00 24.44 H new ATOM 0 HA3 GLY A 22 15.096 10.935 0.449 1.00 24.44 H new ATOM 343 N ALA A 23 15.473 8.349 -0.155 1.00 52.22 N ATOM 344 CA ALA A 23 15.799 7.210 -1.004 1.00 21.13 C ATOM 345 C ALA A 23 14.714 6.143 -0.932 1.00 22.44 C ATOM 346 O ALA A 23 14.321 5.572 -1.949 1.00 14.14 O ATOM 347 CB ALA A 23 17.149 6.623 -0.615 1.00 63.12 C ATOM 0 H ALA A 23 16.151 8.525 0.587 1.00 52.22 H new ATOM 0 HA ALA A 23 15.856 7.564 -2.033 1.00 21.13 H new ATOM 0 HB1 ALA A 23 17.376 5.774 -1.259 1.00 63.12 H new ATOM 0 HB2 ALA A 23 17.923 7.382 -0.730 1.00 63.12 H new ATOM 0 HB3 ALA A 23 17.116 6.292 0.423 1.00 63.12 H new ATOM 353 N LEU A 24 14.229 5.889 0.277 1.00 22.34 N ATOM 354 CA LEU A 24 13.161 4.924 0.486 1.00 23.32 C ATOM 355 C LEU A 24 11.892 5.366 -0.238 1.00 42.24 C ATOM 356 O LEU A 24 11.232 4.560 -0.890 1.00 62.45 O ATOM 357 CB LEU A 24 12.887 4.747 1.982 1.00 51.24 C ATOM 358 CG LEU A 24 11.842 3.686 2.336 1.00 71.42 C ATOM 359 CD1 LEU A 24 12.277 2.314 1.839 1.00 11.11 C ATOM 360 CD2 LEU A 24 11.612 3.654 3.836 1.00 23.22 C ATOM 0 H LEU A 24 14.561 6.340 1.129 1.00 22.34 H new ATOM 0 HA LEU A 24 13.477 3.965 0.075 1.00 23.32 H new ATOM 0 HB2 LEU A 24 13.823 4.490 2.478 1.00 51.24 H new ATOM 0 HB3 LEU A 24 12.562 5.704 2.390 1.00 51.24 H new ATOM 0 HG LEU A 24 10.906 3.948 1.843 1.00 71.42 H new ATOM 0 HD11 LEU A 24 11.520 1.575 2.101 1.00 11.11 H new ATOM 0 HD12 LEU A 24 12.398 2.341 0.756 1.00 11.11 H new ATOM 0 HD13 LEU A 24 13.225 2.043 2.303 1.00 11.11 H new ATOM 0 HD21 LEU A 24 10.867 2.895 4.074 1.00 23.22 H new ATOM 0 HD22 LEU A 24 12.547 3.415 4.342 1.00 23.22 H new ATOM 0 HD23 LEU A 24 11.257 4.629 4.171 1.00 23.22 H new ATOM 372 N LYS A 25 11.569 6.657 -0.137 1.00 54.33 N ATOM 373 CA LYS A 25 10.390 7.204 -0.801 1.00 11.13 C ATOM 374 C LYS A 25 10.487 7.006 -2.307 1.00 51.40 C ATOM 375 O LYS A 25 9.536 6.561 -2.948 1.00 33.53 O ATOM 376 CB LYS A 25 10.220 8.698 -0.502 1.00 75.31 C ATOM 377 CG LYS A 25 10.011 9.033 0.965 1.00 72.20 C ATOM 378 CD LYS A 25 9.644 10.499 1.137 1.00 51.35 C ATOM 379 CE LYS A 25 9.495 10.881 2.599 1.00 21.21 C ATOM 380 NZ LYS A 25 9.068 12.297 2.754 1.00 73.13 N ATOM 0 H LYS A 25 12.107 7.339 0.397 1.00 54.33 H new ATOM 0 HA LYS A 25 9.523 6.669 -0.414 1.00 11.13 H new ATOM 0 HB2 LYS A 25 11.102 9.229 -0.859 1.00 75.31 H new ATOM 0 HB3 LYS A 25 9.370 9.074 -1.071 1.00 75.31 H new ATOM 0 HG2 LYS A 25 9.221 8.405 1.377 1.00 72.20 H new ATOM 0 HG3 LYS A 25 10.919 8.812 1.526 1.00 72.20 H new ATOM 0 HD2 LYS A 25 10.411 11.121 0.676 1.00 51.35 H new ATOM 0 HD3 LYS A 25 8.711 10.703 0.612 1.00 51.35 H new ATOM 0 HE2 LYS A 25 8.765 10.226 3.074 1.00 21.21 H new ATOM 0 HE3 LYS A 25 10.443 10.728 3.114 1.00 21.21 H new ATOM 0 HZ1 LYS A 25 8.976 12.523 3.765 1.00 73.13 H new ATOM 0 HZ2 LYS A 25 9.778 12.923 2.322 1.00 73.13 H new ATOM 0 HZ3 LYS A 25 8.151 12.437 2.283 1.00 73.13 H new ATOM 394 N ARG A 26 11.649 7.335 -2.864 1.00 61.13 N ATOM 395 CA ARG A 26 11.873 7.212 -4.298 1.00 32.51 C ATOM 396 C ARG A 26 11.676 5.774 -4.756 1.00 23.10 C ATOM 397 O ARG A 26 11.024 5.529 -5.767 1.00 52.33 O ATOM 398 CB ARG A 26 13.274 7.689 -4.679 1.00 24.43 C ATOM 399 CG ARG A 26 13.556 7.579 -6.168 1.00 20.33 C ATOM 400 CD ARG A 26 14.963 8.023 -6.510 1.00 34.21 C ATOM 401 NE ARG A 26 15.221 7.937 -7.946 1.00 23.02 N ATOM 402 CZ ARG A 26 16.348 8.340 -8.526 1.00 44.43 C ATOM 403 NH1 ARG A 26 17.325 8.866 -7.797 1.00 34.05 N ATOM 404 NH2 ARG A 26 16.499 8.209 -9.839 1.00 11.03 N ATOM 0 H ARG A 26 12.450 7.689 -2.342 1.00 61.13 H new ATOM 0 HA ARG A 26 11.141 7.845 -4.800 1.00 32.51 H new ATOM 0 HB2 ARG A 26 13.395 8.727 -4.368 1.00 24.43 H new ATOM 0 HB3 ARG A 26 14.012 7.104 -4.131 1.00 24.43 H new ATOM 0 HG2 ARG A 26 13.412 6.547 -6.490 1.00 20.33 H new ATOM 0 HG3 ARG A 26 12.839 8.187 -6.719 1.00 20.33 H new ATOM 0 HD2 ARG A 26 15.113 9.049 -6.174 1.00 34.21 H new ATOM 0 HD3 ARG A 26 15.681 7.403 -5.973 1.00 34.21 H new ATOM 0 HE ARG A 26 14.491 7.543 -8.540 1.00 23.02 H new ATOM 0 HH11 ARG A 26 17.213 8.962 -6.788 1.00 34.05 H new ATOM 0 HH12 ARG A 26 18.188 9.174 -8.246 1.00 34.05 H new ATOM 0 HH21 ARG A 26 15.752 7.800 -10.400 1.00 11.03 H new ATOM 0 HH22 ARG A 26 17.362 8.517 -10.286 1.00 11.03 H new ATOM 418 N ARG A 27 12.239 4.830 -4.006 1.00 22.32 N ATOM 419 CA ARG A 27 12.079 3.415 -4.319 1.00 60.32 C ATOM 420 C ARG A 27 10.606 3.047 -4.413 1.00 35.02 C ATOM 421 O ARG A 27 10.161 2.480 -5.410 1.00 60.22 O ATOM 422 CB ARG A 27 12.766 2.543 -3.265 1.00 10.13 C ATOM 423 CG ARG A 27 14.270 2.452 -3.437 1.00 44.23 C ATOM 424 CD ARG A 27 14.890 1.499 -2.426 1.00 25.23 C ATOM 425 NE ARG A 27 16.222 1.059 -2.838 1.00 35.44 N ATOM 426 CZ ARG A 27 16.798 -0.066 -2.412 1.00 5.53 C ATOM 427 NH1 ARG A 27 16.214 -0.806 -1.474 1.00 31.33 N ATOM 428 NH2 ARG A 27 17.971 -0.435 -2.903 1.00 51.45 N ATOM 0 H ARG A 27 12.808 5.019 -3.181 1.00 22.32 H new ATOM 0 HA ARG A 27 12.550 3.233 -5.285 1.00 60.32 H new ATOM 0 HB2 ARG A 27 12.546 2.943 -2.275 1.00 10.13 H new ATOM 0 HB3 ARG A 27 12.343 1.539 -3.305 1.00 10.13 H new ATOM 0 HG2 ARG A 27 14.502 2.114 -4.447 1.00 44.23 H new ATOM 0 HG3 ARG A 27 14.711 3.442 -3.323 1.00 44.23 H new ATOM 0 HD2 ARG A 27 14.954 1.991 -1.455 1.00 25.23 H new ATOM 0 HD3 ARG A 27 14.243 0.631 -2.301 1.00 25.23 H new ATOM 0 HE ARG A 27 16.741 1.647 -3.490 1.00 35.44 H new ATOM 0 HH11 ARG A 27 15.321 -0.514 -1.077 1.00 31.33 H new ATOM 0 HH12 ARG A 27 16.659 -1.665 -1.152 1.00 31.33 H new ATOM 0 HH21 ARG A 27 18.433 0.141 -3.606 1.00 51.45 H new ATOM 0 HH22 ARG A 27 18.412 -1.295 -2.578 1.00 51.45 H new ATOM 442 N ILE A 28 9.852 3.408 -3.385 1.00 35.15 N ATOM 443 CA ILE A 28 8.424 3.121 -3.327 1.00 23.34 C ATOM 444 C ILE A 28 7.693 3.709 -4.537 1.00 12.33 C ATOM 445 O ILE A 28 6.881 3.036 -5.178 1.00 13.31 O ATOM 446 CB ILE A 28 7.816 3.682 -2.022 1.00 31.23 C ATOM 447 CG1 ILE A 28 8.492 3.041 -0.807 1.00 50.11 C ATOM 448 CG2 ILE A 28 6.315 3.450 -1.983 1.00 22.12 C ATOM 449 CD1 ILE A 28 8.047 3.621 0.519 1.00 73.45 C ATOM 0 H ILE A 28 10.210 3.906 -2.570 1.00 35.15 H new ATOM 0 HA ILE A 28 8.299 2.038 -3.344 1.00 23.34 H new ATOM 0 HB ILE A 28 7.992 4.757 -1.993 1.00 31.23 H new ATOM 0 HG12 ILE A 28 8.286 1.971 -0.812 1.00 50.11 H new ATOM 0 HG13 ILE A 28 9.572 3.159 -0.900 1.00 50.11 H new ATOM 0 HG21 ILE A 28 5.909 3.853 -1.055 1.00 22.12 H new ATOM 0 HG22 ILE A 28 5.847 3.950 -2.831 1.00 22.12 H new ATOM 0 HG23 ILE A 28 6.111 2.381 -2.034 1.00 22.12 H new ATOM 0 HD11 ILE A 28 8.570 3.116 1.331 1.00 73.45 H new ATOM 0 HD12 ILE A 28 8.278 4.686 0.546 1.00 73.45 H new ATOM 0 HD13 ILE A 28 6.973 3.479 0.636 1.00 73.45 H new ATOM 461 N MET A 29 8.013 4.955 -4.860 1.00 30.24 N ATOM 462 CA MET A 29 7.375 5.653 -5.973 1.00 62.10 C ATOM 463 C MET A 29 7.813 5.079 -7.315 1.00 11.21 C ATOM 464 O MET A 29 7.071 5.134 -8.296 1.00 63.12 O ATOM 465 CB MET A 29 7.673 7.152 -5.922 1.00 3.21 C ATOM 466 CG MET A 29 7.134 7.836 -4.677 1.00 12.00 C ATOM 467 SD MET A 29 7.420 9.616 -4.678 1.00 73.23 S ATOM 468 CE MET A 29 9.201 9.672 -4.840 1.00 24.22 C ATOM 0 H MET A 29 8.714 5.507 -4.366 1.00 30.24 H new ATOM 0 HA MET A 29 6.300 5.506 -5.873 1.00 62.10 H new ATOM 0 HB2 MET A 29 8.752 7.302 -5.971 1.00 3.21 H new ATOM 0 HB3 MET A 29 7.245 7.630 -6.803 1.00 3.21 H new ATOM 0 HG2 MET A 29 6.064 7.645 -4.597 1.00 12.00 H new ATOM 0 HG3 MET A 29 7.603 7.398 -3.796 1.00 12.00 H new ATOM 0 HE1 MET A 29 9.544 10.701 -4.731 1.00 24.22 H new ATOM 0 HE2 MET A 29 9.656 9.054 -4.066 1.00 24.22 H new ATOM 0 HE3 MET A 29 9.489 9.296 -5.822 1.00 24.22 H new ATOM 478 N ASP A 30 9.029 4.547 -7.361 1.00 44.34 N ATOM 479 CA ASP A 30 9.562 3.950 -8.581 1.00 20.24 C ATOM 480 C ASP A 30 8.717 2.758 -9.019 1.00 4.11 C ATOM 481 O ASP A 30 8.492 2.550 -10.213 1.00 2.01 O ATOM 482 CB ASP A 30 11.015 3.515 -8.383 1.00 31.12 C ATOM 483 CG ASP A 30 11.594 2.879 -9.630 1.00 45.43 C ATOM 484 OD1 ASP A 30 11.657 1.634 -9.695 1.00 42.12 O ATOM 485 OD2 ASP A 30 11.975 3.620 -10.562 1.00 53.12 O ATOM 0 H ASP A 30 9.666 4.517 -6.565 1.00 44.34 H new ATOM 0 HA ASP A 30 9.527 4.708 -9.364 1.00 20.24 H new ATOM 0 HB2 ASP A 30 11.617 4.380 -8.105 1.00 31.12 H new ATOM 0 HB3 ASP A 30 11.072 2.807 -7.556 1.00 31.12 H new ATOM 491 N MET A 31 8.248 1.973 -8.050 1.00 11.44 N ATOM 492 CA MET A 31 7.347 0.857 -8.342 1.00 20.10 C ATOM 493 C MET A 31 5.972 1.362 -8.777 1.00 54.12 C ATOM 494 O MET A 31 5.190 0.624 -9.379 1.00 74.45 O ATOM 495 CB MET A 31 7.195 -0.080 -7.137 1.00 0.43 C ATOM 496 CG MET A 31 8.279 -1.146 -7.036 1.00 52.34 C ATOM 497 SD MET A 31 9.789 -0.553 -6.251 1.00 52.51 S ATOM 498 CE MET A 31 9.208 -0.278 -4.579 1.00 55.22 C ATOM 0 H MET A 31 8.475 2.087 -7.062 1.00 11.44 H new ATOM 0 HA MET A 31 7.795 0.294 -9.160 1.00 20.10 H new ATOM 0 HB2 MET A 31 7.201 0.516 -6.224 1.00 0.43 H new ATOM 0 HB3 MET A 31 6.223 -0.570 -7.192 1.00 0.43 H new ATOM 0 HG2 MET A 31 7.893 -1.995 -6.471 1.00 52.34 H new ATOM 0 HG3 MET A 31 8.516 -1.510 -8.036 1.00 52.34 H new ATOM 0 HE1 MET A 31 9.940 0.316 -4.033 1.00 55.22 H new ATOM 0 HE2 MET A 31 8.257 0.254 -4.607 1.00 55.22 H new ATOM 0 HE3 MET A 31 9.073 -1.237 -4.078 1.00 55.22 H new ATOM 508 N GLY A 32 5.686 2.621 -8.477 1.00 23.01 N ATOM 509 CA GLY A 32 4.418 3.206 -8.861 1.00 62.34 C ATOM 510 C GLY A 32 3.608 3.652 -7.667 1.00 73.11 C ATOM 511 O GLY A 32 2.558 4.278 -7.816 1.00 13.11 O ATOM 0 H GLY A 32 6.312 3.249 -7.973 1.00 23.01 H new ATOM 0 HA2 GLY A 32 4.597 4.059 -9.515 1.00 62.34 H new ATOM 0 HA3 GLY A 32 3.844 2.479 -9.436 1.00 62.34 H new ATOM 515 N ILE A 33 4.102 3.340 -6.477 1.00 44.12 N ATOM 516 CA ILE A 33 3.393 3.659 -5.247 1.00 15.50 C ATOM 517 C ILE A 33 3.655 5.102 -4.849 1.00 10.42 C ATOM 518 O ILE A 33 4.756 5.448 -4.429 1.00 14.20 O ATOM 519 CB ILE A 33 3.828 2.738 -4.088 1.00 11.15 C ATOM 520 CG1 ILE A 33 3.901 1.280 -4.553 1.00 11.13 C ATOM 521 CG2 ILE A 33 2.871 2.883 -2.911 1.00 74.21 C ATOM 522 CD1 ILE A 33 2.585 0.726 -5.049 1.00 51.33 C ATOM 0 H ILE A 33 4.994 2.865 -6.338 1.00 44.12 H new ATOM 0 HA ILE A 33 2.330 3.508 -5.436 1.00 15.50 H new ATOM 0 HB ILE A 33 4.824 3.038 -3.762 1.00 11.15 H new ATOM 0 HG12 ILE A 33 4.640 1.200 -5.350 1.00 11.13 H new ATOM 0 HG13 ILE A 33 4.255 0.663 -3.727 1.00 11.13 H new ATOM 0 HG21 ILE A 33 3.189 2.228 -2.100 1.00 74.21 H new ATOM 0 HG22 ILE A 33 2.874 3.917 -2.565 1.00 74.21 H new ATOM 0 HG23 ILE A 33 1.864 2.609 -3.225 1.00 74.21 H new ATOM 0 HD11 ILE A 33 2.720 -0.310 -5.360 1.00 51.33 H new ATOM 0 HD12 ILE A 33 1.846 0.771 -4.249 1.00 51.33 H new ATOM 0 HD13 ILE A 33 2.238 1.317 -5.897 1.00 51.33 H new ATOM 534 N THR A 34 2.651 5.947 -4.986 1.00 62.42 N ATOM 535 CA THR A 34 2.820 7.354 -4.678 1.00 10.42 C ATOM 536 C THR A 34 1.559 7.918 -4.021 1.00 31.14 C ATOM 537 O THR A 34 0.589 7.194 -3.806 1.00 50.13 O ATOM 538 CB THR A 34 3.195 8.144 -5.955 1.00 32.23 C ATOM 539 OG1 THR A 34 3.418 9.529 -5.651 1.00 70.54 O ATOM 540 CG2 THR A 34 2.116 8.000 -7.020 1.00 32.24 C ATOM 0 H THR A 34 1.718 5.687 -5.306 1.00 62.42 H new ATOM 0 HA THR A 34 3.638 7.461 -3.966 1.00 10.42 H new ATOM 0 HB THR A 34 4.121 7.725 -6.348 1.00 32.23 H new ATOM 0 HG1 THR A 34 3.655 10.010 -6.471 1.00 70.54 H new ATOM 0 HG21 THR A 34 2.403 8.564 -7.907 1.00 32.24 H new ATOM 0 HG22 THR A 34 2.000 6.948 -7.281 1.00 32.24 H new ATOM 0 HG23 THR A 34 1.171 8.385 -6.635 1.00 32.24 H new ATOM 548 N ARG A 35 1.570 9.201 -3.696 1.00 41.54 N ATOM 549 CA ARG A 35 0.469 9.807 -2.963 1.00 24.00 C ATOM 550 C ARG A 35 -0.728 10.033 -3.878 1.00 42.03 C ATOM 551 O ARG A 35 -0.607 10.660 -4.929 1.00 4.03 O ATOM 552 CB ARG A 35 0.891 11.139 -2.326 1.00 43.44 C ATOM 553 CG ARG A 35 2.077 11.035 -1.379 1.00 21.40 C ATOM 554 CD ARG A 35 3.403 11.110 -2.121 1.00 63.12 C ATOM 555 NE ARG A 35 3.603 12.417 -2.747 1.00 25.44 N ATOM 556 CZ ARG A 35 4.454 12.654 -3.745 1.00 21.23 C ATOM 557 NH1 ARG A 35 5.163 11.670 -4.274 1.00 52.15 N ATOM 558 NH2 ARG A 35 4.586 13.885 -4.213 1.00 64.32 N ATOM 0 H ARG A 35 2.328 9.843 -3.928 1.00 41.54 H new ATOM 0 HA ARG A 35 0.186 9.117 -2.169 1.00 24.00 H new ATOM 0 HB2 ARG A 35 1.136 11.846 -3.119 1.00 43.44 H new ATOM 0 HB3 ARG A 35 0.042 11.552 -1.782 1.00 43.44 H new ATOM 0 HG2 ARG A 35 2.026 11.838 -0.644 1.00 21.40 H new ATOM 0 HG3 ARG A 35 2.021 10.096 -0.829 1.00 21.40 H new ATOM 0 HD2 ARG A 35 4.219 10.911 -1.427 1.00 63.12 H new ATOM 0 HD3 ARG A 35 3.437 10.333 -2.884 1.00 63.12 H new ATOM 0 HE ARG A 35 3.053 13.201 -2.395 1.00 25.44 H new ATOM 0 HH11 ARG A 35 5.061 10.719 -3.918 1.00 52.15 H new ATOM 0 HH12 ARG A 35 5.812 11.862 -5.038 1.00 52.15 H new ATOM 0 HH21 ARG A 35 4.038 14.645 -3.810 1.00 64.32 H new ATOM 0 HH22 ARG A 35 5.235 14.073 -4.977 1.00 64.32 H new ATOM 572 N GLY A 36 -1.876 9.510 -3.473 1.00 23.41 N ATOM 573 CA GLY A 36 -3.089 9.704 -4.236 1.00 54.30 C ATOM 574 C GLY A 36 -3.453 8.506 -5.094 1.00 32.51 C ATOM 575 O GLY A 36 -4.385 8.581 -5.897 1.00 3.20 O ATOM 0 H GLY A 36 -1.988 8.953 -2.626 1.00 23.41 H new ATOM 0 HA2 GLY A 36 -3.911 9.916 -3.552 1.00 54.30 H new ATOM 0 HA3 GLY A 36 -2.972 10.579 -4.876 1.00 54.30 H new ATOM 579 N CYS A 37 -2.731 7.405 -4.931 1.00 24.21 N ATOM 580 CA CYS A 37 -3.012 6.200 -5.699 1.00 54.31 C ATOM 581 C CYS A 37 -3.780 5.192 -4.849 1.00 54.20 C ATOM 582 O CYS A 37 -3.522 5.053 -3.650 1.00 0.32 O ATOM 583 CB CYS A 37 -1.712 5.574 -6.224 1.00 41.33 C ATOM 584 SG CYS A 37 -0.619 4.906 -4.948 1.00 71.12 S ATOM 0 H CYS A 37 -1.952 7.322 -4.278 1.00 24.21 H new ATOM 0 HA CYS A 37 -3.629 6.477 -6.554 1.00 54.31 H new ATOM 0 HB2 CYS A 37 -1.966 4.774 -6.919 1.00 41.33 H new ATOM 0 HB3 CYS A 37 -1.166 6.328 -6.791 1.00 41.33 H new ATOM 0 HG CYS A 37 -0.116 5.883 -4.253 1.00 71.12 H new ATOM 590 N GLU A 38 -4.742 4.517 -5.462 1.00 21.23 N ATOM 591 CA GLU A 38 -5.483 3.464 -4.786 1.00 64.25 C ATOM 592 C GLU A 38 -4.794 2.125 -5.007 1.00 0.03 C ATOM 593 O GLU A 38 -4.479 1.758 -6.138 1.00 74.33 O ATOM 594 CB GLU A 38 -6.931 3.375 -5.288 1.00 71.15 C ATOM 595 CG GLU A 38 -7.806 4.572 -4.942 1.00 24.12 C ATOM 596 CD GLU A 38 -7.569 5.763 -5.846 1.00 74.32 C ATOM 597 OE1 GLU A 38 -7.871 6.898 -5.424 1.00 61.30 O ATOM 598 OE2 GLU A 38 -7.089 5.566 -6.986 1.00 54.33 O ATOM 0 H GLU A 38 -5.027 4.681 -6.428 1.00 21.23 H new ATOM 0 HA GLU A 38 -5.505 3.706 -3.723 1.00 64.25 H new ATOM 0 HB2 GLU A 38 -6.917 3.255 -6.371 1.00 71.15 H new ATOM 0 HB3 GLU A 38 -7.389 2.477 -4.873 1.00 71.15 H new ATOM 0 HG2 GLU A 38 -8.854 4.279 -5.005 1.00 24.12 H new ATOM 0 HG3 GLU A 38 -7.619 4.865 -3.909 1.00 24.12 H new ATOM 606 N ILE A 39 -4.566 1.400 -3.929 1.00 63.20 N ATOM 607 CA ILE A 39 -3.904 0.114 -4.000 1.00 54.03 C ATOM 608 C ILE A 39 -4.814 -0.991 -3.490 1.00 61.00 C ATOM 609 O ILE A 39 -5.247 -0.978 -2.334 1.00 32.11 O ATOM 610 CB ILE A 39 -2.596 0.095 -3.183 1.00 4.21 C ATOM 611 CG1 ILE A 39 -1.620 1.147 -3.706 1.00 44.24 C ATOM 612 CG2 ILE A 39 -1.961 -1.288 -3.231 1.00 12.33 C ATOM 613 CD1 ILE A 39 -0.305 1.171 -2.959 1.00 22.14 C ATOM 0 H ILE A 39 -4.833 1.684 -2.986 1.00 63.20 H new ATOM 0 HA ILE A 39 -3.665 -0.057 -5.050 1.00 54.03 H new ATOM 0 HB ILE A 39 -2.835 0.333 -2.146 1.00 4.21 H new ATOM 0 HG12 ILE A 39 -1.426 0.959 -4.762 1.00 44.24 H new ATOM 0 HG13 ILE A 39 -2.086 2.130 -3.638 1.00 44.24 H new ATOM 0 HG21 ILE A 39 -1.039 -1.285 -2.650 1.00 12.33 H new ATOM 0 HG22 ILE A 39 -2.652 -2.020 -2.812 1.00 12.33 H new ATOM 0 HG23 ILE A 39 -1.737 -1.550 -4.265 1.00 12.33 H new ATOM 0 HD11 ILE A 39 0.340 1.941 -3.382 1.00 22.14 H new ATOM 0 HD12 ILE A 39 -0.488 1.389 -1.907 1.00 22.14 H new ATOM 0 HD13 ILE A 39 0.182 0.200 -3.049 1.00 22.14 H new ATOM 625 N TYR A 40 -5.123 -1.926 -4.368 1.00 0.21 N ATOM 626 CA TYR A 40 -5.837 -3.128 -3.990 1.00 34.42 C ATOM 627 C TYR A 40 -4.865 -4.125 -3.372 1.00 41.43 C ATOM 628 O TYR A 40 -3.942 -4.605 -4.039 1.00 31.11 O ATOM 629 CB TYR A 40 -6.529 -3.736 -5.216 1.00 45.04 C ATOM 630 CG TYR A 40 -7.034 -5.148 -5.008 1.00 24.02 C ATOM 631 CD1 TYR A 40 -8.168 -5.401 -4.245 1.00 33.11 C ATOM 632 CD2 TYR A 40 -6.372 -6.230 -5.578 1.00 44.44 C ATOM 633 CE1 TYR A 40 -8.627 -6.692 -4.058 1.00 1.20 C ATOM 634 CE2 TYR A 40 -6.824 -7.521 -5.396 1.00 25.12 C ATOM 635 CZ TYR A 40 -7.950 -7.748 -4.635 1.00 1.32 C ATOM 636 OH TYR A 40 -8.405 -9.037 -4.457 1.00 51.12 O ATOM 0 H TYR A 40 -4.887 -1.873 -5.359 1.00 0.21 H new ATOM 0 HA TYR A 40 -6.601 -2.880 -3.254 1.00 34.42 H new ATOM 0 HB2 TYR A 40 -7.368 -3.100 -5.498 1.00 45.04 H new ATOM 0 HB3 TYR A 40 -5.830 -3.732 -6.053 1.00 45.04 H new ATOM 0 HD1 TYR A 40 -8.699 -4.577 -3.791 1.00 33.11 H new ATOM 0 HD2 TYR A 40 -5.488 -6.057 -6.174 1.00 44.44 H new ATOM 0 HE1 TYR A 40 -9.510 -6.873 -3.464 1.00 1.20 H new ATOM 0 HE2 TYR A 40 -6.298 -8.349 -5.848 1.00 25.12 H new ATOM 0 HH TYR A 40 -7.815 -9.660 -4.930 1.00 51.12 H new ATOM 646 N ILE A 41 -5.055 -4.413 -2.093 1.00 44.20 N ATOM 647 CA ILE A 41 -4.207 -5.365 -1.395 1.00 54.33 C ATOM 648 C ILE A 41 -4.593 -6.779 -1.804 1.00 62.01 C ATOM 649 O ILE A 41 -5.619 -7.307 -1.367 1.00 43.11 O ATOM 650 CB ILE A 41 -4.322 -5.222 0.141 1.00 12.01 C ATOM 651 CG1 ILE A 41 -4.186 -3.752 0.555 1.00 75.14 C ATOM 652 CG2 ILE A 41 -3.260 -6.069 0.837 1.00 1.11 C ATOM 653 CD1 ILE A 41 -2.868 -3.123 0.158 1.00 53.34 C ATOM 0 H ILE A 41 -5.790 -4.000 -1.518 1.00 44.20 H new ATOM 0 HA ILE A 41 -3.173 -5.159 -1.672 1.00 54.33 H new ATOM 0 HB ILE A 41 -5.306 -5.579 0.447 1.00 12.01 H new ATOM 0 HG12 ILE A 41 -4.999 -3.182 0.107 1.00 75.14 H new ATOM 0 HG13 ILE A 41 -4.302 -3.677 1.636 1.00 75.14 H new ATOM 0 HG21 ILE A 41 -3.355 -5.957 1.917 1.00 1.11 H new ATOM 0 HG22 ILE A 41 -3.396 -7.116 0.568 1.00 1.11 H new ATOM 0 HG23 ILE A 41 -2.269 -5.740 0.524 1.00 1.11 H new ATOM 0 HD11 ILE A 41 -2.848 -2.084 0.485 1.00 53.34 H new ATOM 0 HD12 ILE A 41 -2.049 -3.667 0.628 1.00 53.34 H new ATOM 0 HD13 ILE A 41 -2.757 -3.164 -0.926 1.00 53.34 H new ATOM 665 N ARG A 42 -3.779 -7.376 -2.666 1.00 72.23 N ATOM 666 CA ARG A 42 -4.073 -8.687 -3.212 1.00 32.34 C ATOM 667 C ARG A 42 -4.028 -9.749 -2.123 1.00 65.00 C ATOM 668 O ARG A 42 -5.007 -10.461 -1.905 1.00 25.02 O ATOM 669 CB ARG A 42 -3.086 -9.044 -4.329 1.00 42.35 C ATOM 670 CG ARG A 42 -3.339 -10.411 -4.944 1.00 62.51 C ATOM 671 CD ARG A 42 -4.689 -10.460 -5.640 1.00 53.11 C ATOM 672 NE ARG A 42 -5.139 -11.829 -5.885 1.00 63.40 N ATOM 673 CZ ARG A 42 -5.973 -12.167 -6.867 1.00 12.22 C ATOM 674 NH1 ARG A 42 -6.378 -11.257 -7.741 1.00 13.13 N ATOM 675 NH2 ARG A 42 -6.393 -13.418 -6.989 1.00 72.42 N ATOM 0 H ARG A 42 -2.907 -6.967 -3.001 1.00 72.23 H new ATOM 0 HA ARG A 42 -5.079 -8.656 -3.629 1.00 32.34 H new ATOM 0 HB2 ARG A 42 -3.143 -8.286 -5.110 1.00 42.35 H new ATOM 0 HB3 ARG A 42 -2.072 -9.015 -3.931 1.00 42.35 H new ATOM 0 HG2 ARG A 42 -2.550 -10.642 -5.659 1.00 62.51 H new ATOM 0 HG3 ARG A 42 -3.299 -11.175 -4.167 1.00 62.51 H new ATOM 0 HD2 ARG A 42 -5.428 -9.941 -5.030 1.00 53.11 H new ATOM 0 HD3 ARG A 42 -4.626 -9.926 -6.588 1.00 53.11 H new ATOM 0 HE ARG A 42 -4.795 -12.566 -5.270 1.00 63.40 H new ATOM 0 HH11 ARG A 42 -6.051 -10.294 -7.663 1.00 13.13 H new ATOM 0 HH12 ARG A 42 -7.017 -11.520 -8.492 1.00 13.13 H new ATOM 0 HH21 ARG A 42 -6.078 -14.129 -6.329 1.00 72.42 H new ATOM 0 HH22 ARG A 42 -7.032 -13.670 -7.743 1.00 72.42 H new ATOM 689 N LYS A 43 -2.901 -9.840 -1.432 1.00 41.23 N ATOM 690 CA LYS A 43 -2.712 -10.878 -0.431 1.00 73.14 C ATOM 691 C LYS A 43 -1.737 -10.435 0.650 1.00 5.40 C ATOM 692 O LYS A 43 -0.678 -9.877 0.356 1.00 11.20 O ATOM 693 CB LYS A 43 -2.203 -12.157 -1.099 1.00 43.12 C ATOM 694 CG LYS A 43 -2.030 -13.323 -0.140 1.00 25.03 C ATOM 695 CD LYS A 43 -1.384 -14.512 -0.824 1.00 64.44 C ATOM 696 CE LYS A 43 -1.228 -15.681 0.128 1.00 72.32 C ATOM 697 NZ LYS A 43 -0.502 -16.812 -0.503 1.00 44.53 N ATOM 0 H LYS A 43 -2.107 -9.210 -1.546 1.00 41.23 H new ATOM 0 HA LYS A 43 -3.675 -11.071 0.042 1.00 73.14 H new ATOM 0 HB2 LYS A 43 -2.899 -12.446 -1.886 1.00 43.12 H new ATOM 0 HB3 LYS A 43 -1.247 -11.949 -1.580 1.00 43.12 H new ATOM 0 HG2 LYS A 43 -1.418 -13.012 0.707 1.00 25.03 H new ATOM 0 HG3 LYS A 43 -3.001 -13.615 0.259 1.00 25.03 H new ATOM 0 HD2 LYS A 43 -1.989 -14.815 -1.678 1.00 64.44 H new ATOM 0 HD3 LYS A 43 -0.407 -14.224 -1.212 1.00 64.44 H new ATOM 0 HE2 LYS A 43 -0.690 -15.355 1.019 1.00 72.32 H new ATOM 0 HE3 LYS A 43 -2.212 -16.018 0.455 1.00 72.32 H new ATOM 0 HZ1 LYS A 43 -0.415 -17.592 0.179 1.00 44.53 H new ATOM 0 HZ2 LYS A 43 -1.028 -17.139 -1.338 1.00 44.53 H new ATOM 0 HZ3 LYS A 43 0.446 -16.498 -0.792 1.00 44.53 H new ATOM 711 N VAL A 44 -2.114 -10.680 1.899 1.00 41.03 N ATOM 712 CA VAL A 44 -1.234 -10.443 3.031 1.00 0.43 C ATOM 713 C VAL A 44 -0.727 -11.782 3.553 1.00 43.23 C ATOM 714 O VAL A 44 -1.510 -12.717 3.736 1.00 3.44 O ATOM 715 CB VAL A 44 -1.954 -9.683 4.172 1.00 14.33 C ATOM 716 CG1 VAL A 44 -0.996 -9.391 5.320 1.00 73.13 C ATOM 717 CG2 VAL A 44 -2.572 -8.394 3.650 1.00 24.44 C ATOM 0 H VAL A 44 -3.032 -11.046 2.152 1.00 41.03 H new ATOM 0 HA VAL A 44 -0.404 -9.823 2.693 1.00 0.43 H new ATOM 0 HB VAL A 44 -2.753 -10.320 4.551 1.00 14.33 H new ATOM 0 HG11 VAL A 44 -1.526 -8.857 6.109 1.00 73.13 H new ATOM 0 HG12 VAL A 44 -0.606 -10.329 5.716 1.00 73.13 H new ATOM 0 HG13 VAL A 44 -0.170 -8.778 4.958 1.00 73.13 H new ATOM 0 HG21 VAL A 44 -3.073 -7.874 4.466 1.00 24.44 H new ATOM 0 HG22 VAL A 44 -1.790 -7.756 3.239 1.00 24.44 H new ATOM 0 HG23 VAL A 44 -3.296 -8.628 2.870 1.00 24.44 H new ATOM 727 N ALA A 45 0.575 -11.882 3.766 1.00 62.03 N ATOM 728 CA ALA A 45 1.172 -13.129 4.220 1.00 51.31 C ATOM 729 C ALA A 45 0.939 -13.337 5.714 1.00 63.30 C ATOM 730 O ALA A 45 0.929 -12.379 6.485 1.00 74.24 O ATOM 731 CB ALA A 45 2.659 -13.144 3.904 1.00 64.14 C ATOM 0 H ALA A 45 1.237 -11.118 3.633 1.00 62.03 H new ATOM 0 HA ALA A 45 0.692 -13.951 3.689 1.00 51.31 H new ATOM 0 HB1 ALA A 45 3.095 -14.082 4.248 1.00 64.14 H new ATOM 0 HB2 ALA A 45 2.803 -13.051 2.828 1.00 64.14 H new ATOM 0 HB3 ALA A 45 3.147 -12.310 4.409 1.00 64.14 H new ATOM 737 N PRO A 46 0.752 -14.598 6.145 1.00 42.34 N ATOM 738 CA PRO A 46 0.504 -14.930 7.557 1.00 50.21 C ATOM 739 C PRO A 46 1.659 -14.520 8.472 1.00 31.53 C ATOM 740 O PRO A 46 1.498 -14.405 9.688 1.00 23.21 O ATOM 741 CB PRO A 46 0.351 -16.456 7.548 1.00 61.12 C ATOM 742 CG PRO A 46 0.024 -16.806 6.136 1.00 53.23 C ATOM 743 CD PRO A 46 0.743 -15.797 5.290 1.00 74.41 C ATOM 0 HA PRO A 46 -0.366 -14.400 7.945 1.00 50.21 H new ATOM 0 HB2 PRO A 46 1.269 -16.946 7.873 1.00 61.12 H new ATOM 0 HB3 PRO A 46 -0.439 -16.777 8.227 1.00 61.12 H new ATOM 0 HG2 PRO A 46 0.349 -17.819 5.898 1.00 53.23 H new ATOM 0 HG3 PRO A 46 -1.051 -16.767 5.962 1.00 53.23 H new ATOM 0 HD2 PRO A 46 1.753 -16.124 5.042 1.00 74.41 H new ATOM 0 HD3 PRO A 46 0.225 -15.617 4.348 1.00 74.41 H new ATOM 751 N LEU A 47 2.820 -14.297 7.878 1.00 1.10 N ATOM 752 CA LEU A 47 4.001 -13.892 8.626 1.00 0.21 C ATOM 753 C LEU A 47 4.312 -12.416 8.378 1.00 4.33 C ATOM 754 O LEU A 47 5.380 -11.923 8.750 1.00 41.13 O ATOM 755 CB LEU A 47 5.218 -14.755 8.249 1.00 34.53 C ATOM 756 CG LEU A 47 5.676 -14.666 6.787 1.00 21.23 C ATOM 757 CD1 LEU A 47 7.111 -15.147 6.657 1.00 63.21 C ATOM 758 CD2 LEU A 47 4.772 -15.489 5.880 1.00 64.34 C ATOM 0 H LEU A 47 2.971 -14.390 6.874 1.00 1.10 H new ATOM 0 HA LEU A 47 3.791 -14.037 9.686 1.00 0.21 H new ATOM 0 HB2 LEU A 47 6.053 -14.470 8.889 1.00 34.53 H new ATOM 0 HB3 LEU A 47 4.985 -15.796 8.474 1.00 34.53 H new ATOM 0 HG LEU A 47 5.616 -13.622 6.478 1.00 21.23 H new ATOM 0 HD11 LEU A 47 7.425 -15.079 5.615 1.00 63.21 H new ATOM 0 HD12 LEU A 47 7.760 -14.525 7.273 1.00 63.21 H new ATOM 0 HD13 LEU A 47 7.179 -16.183 6.990 1.00 63.21 H new ATOM 0 HD21 LEU A 47 5.119 -15.408 4.850 1.00 64.34 H new ATOM 0 HD22 LEU A 47 4.798 -16.533 6.191 1.00 64.34 H new ATOM 0 HD23 LEU A 47 3.750 -15.116 5.949 1.00 64.34 H new ATOM 770 N GLY A 48 3.372 -11.719 7.750 1.00 11.14 N ATOM 771 CA GLY A 48 3.554 -10.314 7.450 1.00 54.35 C ATOM 772 C GLY A 48 3.736 -10.078 5.968 1.00 43.34 C ATOM 773 O GLY A 48 2.803 -9.664 5.281 1.00 72.31 O ATOM 0 H GLY A 48 2.481 -12.107 7.442 1.00 11.14 H new ATOM 0 HA2 GLY A 48 2.691 -9.751 7.805 1.00 54.35 H new ATOM 0 HA3 GLY A 48 4.424 -9.937 7.988 1.00 54.35 H new ATOM 777 N ASP A 49 4.927 -10.370 5.467 1.00 32.23 N ATOM 778 CA ASP A 49 5.234 -10.164 4.059 1.00 14.13 C ATOM 779 C ASP A 49 5.756 -11.467 3.442 1.00 71.51 C ATOM 780 O ASP A 49 6.025 -12.425 4.171 1.00 12.20 O ATOM 781 CB ASP A 49 6.259 -9.030 3.898 1.00 3.21 C ATOM 782 CG ASP A 49 7.683 -9.464 4.172 1.00 54.41 C ATOM 783 OD1 ASP A 49 8.432 -9.684 3.200 1.00 4.02 O ATOM 784 OD2 ASP A 49 8.066 -9.566 5.355 1.00 61.41 O ATOM 0 H ASP A 49 5.698 -10.751 6.015 1.00 32.23 H new ATOM 0 HA ASP A 49 4.324 -9.874 3.533 1.00 14.13 H new ATOM 0 HB2 ASP A 49 6.196 -8.635 2.884 1.00 3.21 H new ATOM 0 HB3 ASP A 49 5.998 -8.216 4.574 1.00 3.21 H new ATOM 790 N PRO A 50 5.914 -11.535 2.102 1.00 23.44 N ATOM 791 CA PRO A 50 5.681 -10.406 1.194 1.00 33.42 C ATOM 792 C PRO A 50 4.208 -10.047 1.052 1.00 42.25 C ATOM 793 O PRO A 50 3.342 -10.922 0.982 1.00 4.23 O ATOM 794 CB PRO A 50 6.232 -10.901 -0.142 1.00 24.04 C ATOM 795 CG PRO A 50 6.101 -12.382 -0.073 1.00 63.02 C ATOM 796 CD PRO A 50 6.339 -12.743 1.369 1.00 60.41 C ATOM 0 HA PRO A 50 6.156 -9.497 1.564 1.00 33.42 H new ATOM 0 HB2 PRO A 50 5.668 -10.491 -0.980 1.00 24.04 H new ATOM 0 HB3 PRO A 50 7.271 -10.600 -0.279 1.00 24.04 H new ATOM 0 HG2 PRO A 50 5.112 -12.704 -0.399 1.00 63.02 H new ATOM 0 HG3 PRO A 50 6.826 -12.870 -0.724 1.00 63.02 H new ATOM 0 HD2 PRO A 50 5.759 -13.617 1.665 1.00 60.41 H new ATOM 0 HD3 PRO A 50 7.387 -12.978 1.556 1.00 60.41 H new ATOM 804 N ILE A 51 3.936 -8.752 1.020 1.00 61.31 N ATOM 805 CA ILE A 51 2.588 -8.259 0.803 1.00 63.00 C ATOM 806 C ILE A 51 2.392 -7.968 -0.675 1.00 34.22 C ATOM 807 O ILE A 51 3.133 -7.181 -1.265 1.00 63.41 O ATOM 808 CB ILE A 51 2.311 -6.980 1.626 1.00 74.21 C ATOM 809 CG1 ILE A 51 2.527 -7.256 3.115 1.00 55.05 C ATOM 810 CG2 ILE A 51 0.892 -6.479 1.378 1.00 70.22 C ATOM 811 CD1 ILE A 51 2.353 -6.037 3.995 1.00 52.43 C ATOM 0 H ILE A 51 4.636 -8.021 1.142 1.00 61.31 H new ATOM 0 HA ILE A 51 1.887 -9.026 1.132 1.00 63.00 H new ATOM 0 HB ILE A 51 3.008 -6.204 1.308 1.00 74.21 H new ATOM 0 HG12 ILE A 51 1.828 -8.027 3.437 1.00 55.05 H new ATOM 0 HG13 ILE A 51 3.531 -7.656 3.259 1.00 55.05 H new ATOM 0 HG21 ILE A 51 0.716 -5.578 1.966 1.00 70.22 H new ATOM 0 HG22 ILE A 51 0.766 -6.252 0.319 1.00 70.22 H new ATOM 0 HG23 ILE A 51 0.178 -7.249 1.671 1.00 70.22 H new ATOM 0 HD11 ILE A 51 2.522 -6.313 5.036 1.00 52.43 H new ATOM 0 HD12 ILE A 51 3.071 -5.271 3.701 1.00 52.43 H new ATOM 0 HD13 ILE A 51 1.341 -5.648 3.882 1.00 52.43 H new ATOM 823 N GLN A 52 1.417 -8.627 -1.273 1.00 21.12 N ATOM 824 CA GLN A 52 1.173 -8.477 -2.695 1.00 12.13 C ATOM 825 C GLN A 52 0.155 -7.377 -2.949 1.00 70.42 C ATOM 826 O GLN A 52 -0.989 -7.456 -2.498 1.00 64.30 O ATOM 827 CB GLN A 52 0.696 -9.798 -3.299 1.00 53.44 C ATOM 828 CG GLN A 52 1.698 -10.929 -3.134 1.00 75.32 C ATOM 829 CD GLN A 52 1.235 -12.218 -3.776 1.00 53.44 C ATOM 830 OE1 GLN A 52 0.571 -13.040 -3.145 1.00 44.24 O ATOM 831 NE2 GLN A 52 1.595 -12.415 -5.032 1.00 62.54 N ATOM 0 H GLN A 52 0.783 -9.269 -0.798 1.00 21.12 H new ATOM 0 HA GLN A 52 2.110 -8.196 -3.177 1.00 12.13 H new ATOM 0 HB2 GLN A 52 -0.246 -10.085 -2.831 1.00 53.44 H new ATOM 0 HB3 GLN A 52 0.494 -9.653 -4.360 1.00 53.44 H new ATOM 0 HG2 GLN A 52 2.651 -10.632 -3.572 1.00 75.32 H new ATOM 0 HG3 GLN A 52 1.875 -11.100 -2.072 1.00 75.32 H new ATOM 0 HE21 GLN A 52 2.146 -11.709 -5.521 1.00 62.54 H new ATOM 0 HE22 GLN A 52 1.322 -13.273 -5.512 1.00 62.54 H new ATOM 840 N ILE A 53 0.583 -6.345 -3.660 1.00 42.23 N ATOM 841 CA ILE A 53 -0.277 -5.210 -3.964 1.00 64.02 C ATOM 842 C ILE A 53 -0.415 -5.032 -5.474 1.00 1.22 C ATOM 843 O ILE A 53 0.562 -5.154 -6.211 1.00 32.41 O ATOM 844 CB ILE A 53 0.267 -3.910 -3.328 1.00 12.21 C ATOM 845 CG1 ILE A 53 1.719 -3.665 -3.754 1.00 31.13 C ATOM 846 CG2 ILE A 53 0.162 -3.982 -1.809 1.00 3.01 C ATOM 847 CD1 ILE A 53 2.323 -2.407 -3.167 1.00 72.13 C ATOM 0 H ILE A 53 1.527 -6.270 -4.040 1.00 42.23 H new ATOM 0 HA ILE A 53 -1.259 -5.415 -3.539 1.00 64.02 H new ATOM 0 HB ILE A 53 -0.337 -3.074 -3.681 1.00 12.21 H new ATOM 0 HG12 ILE A 53 2.325 -4.521 -3.456 1.00 31.13 H new ATOM 0 HG13 ILE A 53 1.764 -3.605 -4.841 1.00 31.13 H new ATOM 0 HG21 ILE A 53 0.548 -3.061 -1.373 1.00 3.01 H new ATOM 0 HG22 ILE A 53 -0.882 -4.109 -1.522 1.00 3.01 H new ATOM 0 HG23 ILE A 53 0.744 -4.828 -1.444 1.00 3.01 H new ATOM 0 HD11 ILE A 53 3.351 -2.301 -3.513 1.00 72.13 H new ATOM 0 HD12 ILE A 53 1.742 -1.542 -3.485 1.00 72.13 H new ATOM 0 HD13 ILE A 53 2.311 -2.471 -2.079 1.00 72.13 H new ATOM 859 N ASN A 54 -1.629 -4.765 -5.931 1.00 32.41 N ATOM 860 CA ASN A 54 -1.890 -4.633 -7.360 1.00 31.14 C ATOM 861 C ASN A 54 -1.833 -3.170 -7.794 1.00 20.12 C ATOM 862 O ASN A 54 -2.699 -2.366 -7.437 1.00 50.15 O ATOM 863 CB ASN A 54 -3.254 -5.241 -7.699 1.00 43.43 C ATOM 864 CG ASN A 54 -3.604 -5.140 -9.173 1.00 20.24 C ATOM 865 OD1 ASN A 54 -4.770 -4.978 -9.532 1.00 41.34 O ATOM 866 ND2 ASN A 54 -2.610 -5.251 -10.039 1.00 22.41 N ATOM 0 H ASN A 54 -2.448 -4.635 -5.337 1.00 32.41 H new ATOM 0 HA ASN A 54 -1.116 -5.173 -7.904 1.00 31.14 H new ATOM 0 HB2 ASN A 54 -3.261 -6.290 -7.401 1.00 43.43 H new ATOM 0 HB3 ASN A 54 -4.024 -4.738 -7.114 1.00 43.43 H new ATOM 0 HD21 ASN A 54 -2.798 -5.203 -11.040 1.00 22.41 H new ATOM 0 HD22 ASN A 54 -1.655 -5.385 -9.705 1.00 22.41 H new ATOM 873 N VAL A 55 -0.799 -2.835 -8.562 1.00 1.20 N ATOM 874 CA VAL A 55 -0.567 -1.468 -9.019 1.00 73.40 C ATOM 875 C VAL A 55 0.038 -1.477 -10.424 1.00 31.25 C ATOM 876 O VAL A 55 0.952 -2.256 -10.703 1.00 12.24 O ATOM 877 CB VAL A 55 0.390 -0.698 -8.070 1.00 31.04 C ATOM 878 CG1 VAL A 55 0.577 0.741 -8.530 1.00 23.23 C ATOM 879 CG2 VAL A 55 -0.110 -0.730 -6.633 1.00 0.44 C ATOM 0 H VAL A 55 -0.099 -3.503 -8.885 1.00 1.20 H new ATOM 0 HA VAL A 55 -1.533 -0.963 -9.026 1.00 73.40 H new ATOM 0 HB VAL A 55 1.356 -1.201 -8.106 1.00 31.04 H new ATOM 0 HG11 VAL A 55 1.252 1.257 -7.847 1.00 23.23 H new ATOM 0 HG12 VAL A 55 1.001 0.750 -9.534 1.00 23.23 H new ATOM 0 HG13 VAL A 55 -0.388 1.248 -8.539 1.00 23.23 H new ATOM 0 HG21 VAL A 55 0.583 -0.182 -5.994 1.00 0.44 H new ATOM 0 HG22 VAL A 55 -1.096 -0.267 -6.580 1.00 0.44 H new ATOM 0 HG23 VAL A 55 -0.176 -1.764 -6.294 1.00 0.44 H new ATOM 889 N ARG A 56 -0.494 -0.628 -11.307 1.00 13.40 N ATOM 890 CA ARG A 56 0.032 -0.457 -12.667 1.00 33.52 C ATOM 891 C ARG A 56 -0.183 -1.719 -13.498 1.00 43.44 C ATOM 892 O ARG A 56 0.489 -1.933 -14.507 1.00 15.22 O ATOM 893 CB ARG A 56 1.530 -0.099 -12.644 1.00 53.44 C ATOM 894 CG ARG A 56 1.862 1.142 -11.827 1.00 53.21 C ATOM 895 CD ARG A 56 1.123 2.368 -12.336 1.00 51.01 C ATOM 896 NE ARG A 56 1.349 3.531 -11.484 1.00 4.24 N ATOM 897 CZ ARG A 56 0.375 4.207 -10.877 1.00 3.40 C ATOM 898 NH1 ARG A 56 -0.894 3.860 -11.057 1.00 51.32 N ATOM 899 NH2 ARG A 56 0.671 5.233 -10.089 1.00 43.13 N ATOM 0 H ARG A 56 -1.301 -0.039 -11.101 1.00 13.40 H new ATOM 0 HA ARG A 56 -0.516 0.366 -13.126 1.00 33.52 H new ATOM 0 HB2 ARG A 56 2.088 -0.945 -12.243 1.00 53.44 H new ATOM 0 HB3 ARG A 56 1.872 0.051 -13.668 1.00 53.44 H new ATOM 0 HG2 ARG A 56 1.603 0.969 -10.782 1.00 53.21 H new ATOM 0 HG3 ARG A 56 2.936 1.324 -11.863 1.00 53.21 H new ATOM 0 HD2 ARG A 56 1.449 2.593 -13.352 1.00 51.01 H new ATOM 0 HD3 ARG A 56 0.055 2.155 -12.384 1.00 51.01 H new ATOM 0 HE ARG A 56 2.310 3.845 -11.345 1.00 4.24 H new ATOM 0 HH11 ARG A 56 -1.126 3.073 -11.662 1.00 51.32 H new ATOM 0 HH12 ARG A 56 -1.636 4.381 -10.590 1.00 51.32 H new ATOM 0 HH21 ARG A 56 1.644 5.504 -9.948 1.00 43.13 H new ATOM 0 HH22 ARG A 56 -0.075 5.751 -9.624 1.00 43.13 H new ATOM 913 N GLY A 57 -1.127 -2.547 -13.075 1.00 20.22 N ATOM 914 CA GLY A 57 -1.365 -3.805 -13.754 1.00 43.03 C ATOM 915 C GLY A 57 -0.583 -4.934 -13.122 1.00 44.44 C ATOM 916 O GLY A 57 -0.990 -6.096 -13.174 1.00 32.35 O ATOM 0 H GLY A 57 -1.733 -2.371 -12.274 1.00 20.22 H new ATOM 0 HA2 GLY A 57 -2.429 -4.039 -13.726 1.00 43.03 H new ATOM 0 HA3 GLY A 57 -1.086 -3.711 -14.804 1.00 43.03 H new ATOM 920 N TYR A 58 0.532 -4.584 -12.503 1.00 34.24 N ATOM 921 CA TYR A 58 1.410 -5.558 -11.881 1.00 75.42 C ATOM 922 C TYR A 58 1.000 -5.803 -10.437 1.00 13.22 C ATOM 923 O TYR A 58 0.330 -4.975 -9.819 1.00 30.42 O ATOM 924 CB TYR A 58 2.862 -5.073 -11.923 1.00 54.24 C ATOM 925 CG TYR A 58 3.430 -4.926 -13.317 1.00 73.41 C ATOM 926 CD1 TYR A 58 3.932 -6.024 -14.001 1.00 72.41 C ATOM 927 CD2 TYR A 58 3.468 -3.687 -13.945 1.00 44.41 C ATOM 928 CE1 TYR A 58 4.457 -5.893 -15.271 1.00 4.55 C ATOM 929 CE2 TYR A 58 3.994 -3.547 -15.216 1.00 64.54 C ATOM 930 CZ TYR A 58 4.486 -4.652 -15.875 1.00 62.12 C ATOM 931 OH TYR A 58 5.012 -4.520 -17.139 1.00 4.00 O ATOM 0 H TYR A 58 0.852 -3.619 -12.418 1.00 34.24 H new ATOM 0 HA TYR A 58 1.327 -6.491 -12.438 1.00 75.42 H new ATOM 0 HB2 TYR A 58 2.926 -4.111 -11.414 1.00 54.24 H new ATOM 0 HB3 TYR A 58 3.483 -5.772 -11.363 1.00 54.24 H new ATOM 0 HD1 TYR A 58 3.912 -6.997 -13.532 1.00 72.41 H new ATOM 0 HD2 TYR A 58 3.080 -2.819 -13.432 1.00 44.41 H new ATOM 0 HE1 TYR A 58 4.843 -6.758 -15.790 1.00 4.55 H new ATOM 0 HE2 TYR A 58 4.019 -2.577 -15.689 1.00 64.54 H new ATOM 0 HH TYR A 58 4.956 -3.583 -17.420 1.00 4.00 H new ATOM 941 N GLU A 59 1.379 -6.950 -9.911 1.00 63.44 N ATOM 942 CA GLU A 59 1.206 -7.225 -8.497 1.00 2.42 C ATOM 943 C GLU A 59 2.569 -7.320 -7.842 1.00 20.40 C ATOM 944 O GLU A 59 3.330 -8.260 -8.079 1.00 53.44 O ATOM 945 CB GLU A 59 0.404 -8.499 -8.285 1.00 34.00 C ATOM 946 CG GLU A 59 -0.970 -8.440 -8.925 1.00 63.15 C ATOM 947 CD GLU A 59 -1.718 -9.745 -8.823 1.00 55.42 C ATOM 948 OE1 GLU A 59 -2.905 -9.727 -8.446 1.00 40.21 O ATOM 949 OE2 GLU A 59 -1.123 -10.794 -9.135 1.00 44.24 O ATOM 0 H GLU A 59 1.809 -7.708 -10.441 1.00 63.44 H new ATOM 0 HA GLU A 59 0.644 -6.412 -8.037 1.00 2.42 H new ATOM 0 HB2 GLU A 59 0.956 -9.344 -8.697 1.00 34.00 H new ATOM 0 HB3 GLU A 59 0.295 -8.681 -7.216 1.00 34.00 H new ATOM 0 HG2 GLU A 59 -1.554 -7.653 -8.448 1.00 63.15 H new ATOM 0 HG3 GLU A 59 -0.865 -8.167 -9.975 1.00 63.15 H new ATOM 957 N LEU A 60 2.862 -6.333 -7.024 1.00 24.52 N ATOM 958 CA LEU A 60 4.193 -6.145 -6.477 1.00 73.11 C ATOM 959 C LEU A 60 4.357 -6.884 -5.160 1.00 2.21 C ATOM 960 O LEU A 60 3.392 -7.065 -4.415 1.00 24.40 O ATOM 961 CB LEU A 60 4.448 -4.652 -6.270 1.00 71.35 C ATOM 962 CG LEU A 60 4.179 -3.774 -7.494 1.00 41.35 C ATOM 963 CD1 LEU A 60 4.372 -2.307 -7.150 1.00 43.30 C ATOM 964 CD2 LEU A 60 5.086 -4.175 -8.647 1.00 20.42 C ATOM 0 H LEU A 60 2.184 -5.635 -6.717 1.00 24.52 H new ATOM 0 HA LEU A 60 4.918 -6.552 -7.182 1.00 73.11 H new ATOM 0 HB2 LEU A 60 3.824 -4.303 -5.447 1.00 71.35 H new ATOM 0 HB3 LEU A 60 5.485 -4.515 -5.964 1.00 71.35 H new ATOM 0 HG LEU A 60 3.144 -3.922 -7.803 1.00 41.35 H new ATOM 0 HD11 LEU A 60 4.177 -1.698 -8.032 1.00 43.30 H new ATOM 0 HD12 LEU A 60 3.682 -2.026 -6.355 1.00 43.30 H new ATOM 0 HD13 LEU A 60 5.397 -2.143 -6.816 1.00 43.30 H new ATOM 0 HD21 LEU A 60 4.881 -3.540 -9.509 1.00 20.42 H new ATOM 0 HD22 LEU A 60 6.128 -4.057 -8.349 1.00 20.42 H new ATOM 0 HD23 LEU A 60 4.900 -5.216 -8.911 1.00 20.42 H new ATOM 976 N SER A 61 5.576 -7.315 -4.890 1.00 22.25 N ATOM 977 CA SER A 61 5.904 -7.943 -3.624 1.00 62.22 C ATOM 978 C SER A 61 6.597 -6.927 -2.720 1.00 71.24 C ATOM 979 O SER A 61 7.749 -6.561 -2.950 1.00 32.54 O ATOM 980 CB SER A 61 6.804 -9.157 -3.860 1.00 65.02 C ATOM 981 OG SER A 61 6.205 -10.056 -4.782 1.00 21.04 O ATOM 0 H SER A 61 6.361 -7.240 -5.537 1.00 22.25 H new ATOM 0 HA SER A 61 4.990 -8.284 -3.137 1.00 62.22 H new ATOM 0 HB2 SER A 61 7.772 -8.830 -4.240 1.00 65.02 H new ATOM 0 HB3 SER A 61 6.989 -9.668 -2.915 1.00 65.02 H new ATOM 0 HG SER A 61 6.797 -10.825 -4.921 1.00 21.04 H new ATOM 987 N LEU A 62 5.884 -6.455 -1.708 1.00 73.21 N ATOM 988 CA LEU A 62 6.399 -5.403 -0.845 1.00 52.32 C ATOM 989 C LEU A 62 6.794 -5.959 0.518 1.00 50.02 C ATOM 990 O LEU A 62 6.088 -6.793 1.092 1.00 51.22 O ATOM 991 CB LEU A 62 5.351 -4.296 -0.682 1.00 63.10 C ATOM 992 CG LEU A 62 5.823 -3.052 0.075 1.00 1.14 C ATOM 993 CD1 LEU A 62 6.946 -2.359 -0.682 1.00 30.12 C ATOM 994 CD2 LEU A 62 4.663 -2.098 0.299 1.00 34.01 C ATOM 0 H LEU A 62 4.949 -6.783 -1.465 1.00 73.21 H new ATOM 0 HA LEU A 62 7.291 -4.984 -1.312 1.00 52.32 H new ATOM 0 HB2 LEU A 62 5.012 -3.991 -1.672 1.00 63.10 H new ATOM 0 HB3 LEU A 62 4.487 -4.711 -0.163 1.00 63.10 H new ATOM 0 HG LEU A 62 6.207 -3.364 1.046 1.00 1.14 H new ATOM 0 HD11 LEU A 62 7.268 -1.477 -0.128 1.00 30.12 H new ATOM 0 HD12 LEU A 62 7.786 -3.044 -0.794 1.00 30.12 H new ATOM 0 HD13 LEU A 62 6.589 -2.058 -1.667 1.00 30.12 H new ATOM 0 HD21 LEU A 62 5.014 -1.218 0.838 1.00 34.01 H new ATOM 0 HD22 LEU A 62 4.252 -1.793 -0.663 1.00 34.01 H new ATOM 0 HD23 LEU A 62 3.889 -2.597 0.883 1.00 34.01 H new ATOM 1006 N ARG A 63 7.936 -5.501 1.021 1.00 13.42 N ATOM 1007 CA ARG A 63 8.417 -5.895 2.335 1.00 40.12 C ATOM 1008 C ARG A 63 7.580 -5.208 3.408 1.00 61.31 C ATOM 1009 O ARG A 63 7.191 -4.047 3.250 1.00 33.11 O ATOM 1010 CB ARG A 63 9.891 -5.502 2.481 1.00 41.13 C ATOM 1011 CG ARG A 63 10.636 -6.235 3.583 1.00 13.45 C ATOM 1012 CD ARG A 63 10.736 -7.723 3.292 1.00 44.41 C ATOM 1013 NE ARG A 63 11.777 -8.375 4.086 1.00 14.23 N ATOM 1014 CZ ARG A 63 11.878 -9.698 4.246 1.00 54.31 C ATOM 1015 NH1 ARG A 63 10.904 -10.500 3.825 1.00 3.44 N ATOM 1016 NH2 ARG A 63 12.927 -10.213 4.877 1.00 31.23 N ATOM 0 H ARG A 63 8.549 -4.850 0.530 1.00 13.42 H new ATOM 0 HA ARG A 63 8.327 -6.975 2.451 1.00 40.12 H new ATOM 0 HB2 ARG A 63 10.398 -5.686 1.534 1.00 41.13 H new ATOM 0 HB3 ARG A 63 9.950 -4.430 2.671 1.00 41.13 H new ATOM 0 HG2 ARG A 63 11.637 -5.816 3.689 1.00 13.45 H new ATOM 0 HG3 ARG A 63 10.125 -6.082 4.533 1.00 13.45 H new ATOM 0 HD2 ARG A 63 9.776 -8.196 3.497 1.00 44.41 H new ATOM 0 HD3 ARG A 63 10.944 -7.871 2.232 1.00 44.41 H new ATOM 0 HE ARG A 63 12.469 -7.783 4.546 1.00 14.23 H new ATOM 0 HH11 ARG A 63 10.076 -10.106 3.378 1.00 3.44 H new ATOM 0 HH12 ARG A 63 10.985 -11.509 3.949 1.00 3.44 H new ATOM 0 HH21 ARG A 63 13.656 -9.599 5.240 1.00 31.23 H new ATOM 0 HH22 ARG A 63 13.004 -11.223 4.999 1.00 31.23 H new ATOM 1030 N LYS A 64 7.308 -5.921 4.493 1.00 42.30 N ATOM 1031 CA LYS A 64 6.460 -5.406 5.565 1.00 3.21 C ATOM 1032 C LYS A 64 7.016 -4.107 6.144 1.00 72.52 C ATOM 1033 O LYS A 64 6.254 -3.214 6.500 1.00 44.31 O ATOM 1034 CB LYS A 64 6.299 -6.455 6.669 1.00 63.35 C ATOM 1035 CG LYS A 64 7.616 -6.966 7.228 1.00 74.42 C ATOM 1036 CD LYS A 64 7.395 -8.117 8.191 1.00 74.24 C ATOM 1037 CE LYS A 64 8.712 -8.705 8.671 1.00 51.13 C ATOM 1038 NZ LYS A 64 9.566 -9.157 7.538 1.00 11.01 N ATOM 0 H LYS A 64 7.664 -6.863 4.656 1.00 42.30 H new ATOM 0 HA LYS A 64 5.481 -5.188 5.138 1.00 3.21 H new ATOM 0 HB2 LYS A 64 5.712 -6.026 7.482 1.00 63.35 H new ATOM 0 HB3 LYS A 64 5.731 -7.298 6.276 1.00 63.35 H new ATOM 0 HG2 LYS A 64 8.259 -7.291 6.410 1.00 74.42 H new ATOM 0 HG3 LYS A 64 8.136 -6.156 7.739 1.00 74.42 H new ATOM 0 HD2 LYS A 64 6.817 -7.770 9.048 1.00 74.24 H new ATOM 0 HD3 LYS A 64 6.806 -8.893 7.702 1.00 74.24 H new ATOM 0 HE2 LYS A 64 9.250 -7.959 9.256 1.00 51.13 H new ATOM 0 HE3 LYS A 64 8.513 -9.547 9.334 1.00 51.13 H new ATOM 0 HZ1 LYS A 64 10.282 -9.825 7.888 1.00 11.01 H new ATOM 0 HZ2 LYS A 64 8.974 -9.627 6.823 1.00 11.01 H new ATOM 0 HZ3 LYS A 64 10.039 -8.335 7.110 1.00 11.01 H new ATOM 1052 N SER A 65 8.337 -3.995 6.194 1.00 63.34 N ATOM 1053 CA SER A 65 8.990 -2.818 6.750 1.00 60.43 C ATOM 1054 C SER A 65 8.600 -1.556 5.979 1.00 71.52 C ATOM 1055 O SER A 65 8.291 -0.520 6.572 1.00 65.14 O ATOM 1056 CB SER A 65 10.502 -3.018 6.716 1.00 13.00 C ATOM 1057 OG SER A 65 10.905 -3.516 5.450 1.00 40.44 O ATOM 0 H SER A 65 8.980 -4.710 5.854 1.00 63.34 H new ATOM 0 HA SER A 65 8.663 -2.688 7.782 1.00 60.43 H new ATOM 0 HB2 SER A 65 11.005 -2.073 6.919 1.00 13.00 H new ATOM 0 HB3 SER A 65 10.801 -3.714 7.500 1.00 13.00 H new ATOM 0 HG SER A 65 11.877 -3.638 5.441 1.00 40.44 H new ATOM 1063 N ALA A 66 8.596 -1.659 4.656 1.00 53.23 N ATOM 1064 CA ALA A 66 8.224 -0.541 3.801 1.00 14.14 C ATOM 1065 C ALA A 66 6.723 -0.289 3.869 1.00 13.12 C ATOM 1066 O ALA A 66 6.268 0.849 3.778 1.00 72.32 O ATOM 1067 CB ALA A 66 8.658 -0.806 2.367 1.00 73.44 C ATOM 0 H ALA A 66 8.847 -2.509 4.151 1.00 53.23 H new ATOM 0 HA ALA A 66 8.735 0.353 4.158 1.00 14.14 H new ATOM 0 HB1 ALA A 66 8.373 0.038 1.739 1.00 73.44 H new ATOM 0 HB2 ALA A 66 9.740 -0.936 2.332 1.00 73.44 H new ATOM 0 HB3 ALA A 66 8.172 -1.711 2.001 1.00 73.44 H new ATOM 1073 N ALA A 67 5.956 -1.357 4.056 1.00 73.32 N ATOM 1074 CA ALA A 67 4.506 -1.247 4.153 1.00 61.35 C ATOM 1075 C ALA A 67 4.091 -0.546 5.447 1.00 25.23 C ATOM 1076 O ALA A 67 2.978 -0.028 5.555 1.00 64.23 O ATOM 1077 CB ALA A 67 3.864 -2.622 4.053 1.00 35.41 C ATOM 0 H ALA A 67 6.314 -2.308 4.143 1.00 73.32 H new ATOM 0 HA ALA A 67 4.154 -0.639 3.320 1.00 61.35 H new ATOM 0 HB1 ALA A 67 2.781 -2.524 4.127 1.00 35.41 H new ATOM 0 HB2 ALA A 67 4.123 -3.076 3.096 1.00 35.41 H new ATOM 0 HB3 ALA A 67 4.228 -3.253 4.864 1.00 35.41 H new ATOM 1083 N GLU A 68 4.983 -0.537 6.434 1.00 65.33 N ATOM 1084 CA GLU A 68 4.742 0.195 7.675 1.00 13.30 C ATOM 1085 C GLU A 68 5.193 1.643 7.524 1.00 50.14 C ATOM 1086 O GLU A 68 4.803 2.517 8.300 1.00 74.45 O ATOM 1087 CB GLU A 68 5.480 -0.459 8.848 1.00 73.05 C ATOM 1088 CG GLU A 68 5.200 -1.944 8.985 1.00 41.54 C ATOM 1089 CD GLU A 68 5.713 -2.531 10.280 1.00 11.32 C ATOM 1090 OE1 GLU A 68 6.899 -2.320 10.609 1.00 53.53 O ATOM 1091 OE2 GLU A 68 4.934 -3.221 10.971 1.00 61.13 O ATOM 0 H GLU A 68 5.877 -1.027 6.399 1.00 65.33 H new ATOM 0 HA GLU A 68 3.672 0.170 7.883 1.00 13.30 H new ATOM 0 HB2 GLU A 68 6.552 -0.309 8.721 1.00 73.05 H new ATOM 0 HB3 GLU A 68 5.195 0.044 9.772 1.00 73.05 H new ATOM 0 HG2 GLU A 68 4.125 -2.112 8.918 1.00 41.54 H new ATOM 0 HG3 GLU A 68 5.657 -2.472 8.148 1.00 41.54 H new ATOM 1099 N MET A 69 6.006 1.892 6.508 1.00 30.24 N ATOM 1100 CA MET A 69 6.554 3.218 6.268 1.00 21.34 C ATOM 1101 C MET A 69 5.589 4.045 5.423 1.00 73.30 C ATOM 1102 O MET A 69 5.699 5.264 5.340 1.00 34.40 O ATOM 1103 CB MET A 69 7.908 3.104 5.568 1.00 53.25 C ATOM 1104 CG MET A 69 8.960 4.051 6.116 1.00 22.13 C ATOM 1105 SD MET A 69 9.363 3.715 7.841 1.00 65.40 S ATOM 1106 CE MET A 69 10.686 4.891 8.120 1.00 64.43 C ATOM 0 H MET A 69 6.302 1.187 5.832 1.00 30.24 H new ATOM 0 HA MET A 69 6.693 3.720 7.225 1.00 21.34 H new ATOM 0 HB2 MET A 69 8.270 2.080 5.661 1.00 53.25 H new ATOM 0 HB3 MET A 69 7.775 3.300 4.504 1.00 53.25 H new ATOM 0 HG2 MET A 69 9.865 3.972 5.513 1.00 22.13 H new ATOM 0 HG3 MET A 69 8.604 5.077 6.023 1.00 22.13 H new ATOM 0 HE1 MET A 69 11.040 4.803 9.147 1.00 64.43 H new ATOM 0 HE2 MET A 69 11.507 4.684 7.434 1.00 64.43 H new ATOM 0 HE3 MET A 69 10.316 5.902 7.949 1.00 64.43 H new ATOM 1116 N ILE A 70 4.645 3.367 4.799 1.00 70.34 N ATOM 1117 CA ILE A 70 3.637 4.022 3.979 1.00 34.11 C ATOM 1118 C ILE A 70 2.336 4.153 4.757 1.00 74.41 C ATOM 1119 O ILE A 70 1.883 3.178 5.362 1.00 25.21 O ATOM 1120 CB ILE A 70 3.354 3.203 2.701 1.00 10.52 C ATOM 1121 CG1 ILE A 70 4.640 2.986 1.900 1.00 4.10 C ATOM 1122 CG2 ILE A 70 2.299 3.886 1.841 1.00 54.42 C ATOM 1123 CD1 ILE A 70 4.478 2.026 0.741 1.00 50.25 C ATOM 0 H ILE A 70 4.553 2.352 4.844 1.00 70.34 H new ATOM 0 HA ILE A 70 4.017 5.007 3.707 1.00 34.11 H new ATOM 0 HB ILE A 70 2.969 2.229 3.004 1.00 10.52 H new ATOM 0 HG12 ILE A 70 4.987 3.947 1.519 1.00 4.10 H new ATOM 0 HG13 ILE A 70 5.415 2.609 2.568 1.00 4.10 H new ATOM 0 HG21 ILE A 70 2.117 3.290 0.947 1.00 54.42 H new ATOM 0 HG22 ILE A 70 1.373 3.981 2.408 1.00 54.42 H new ATOM 0 HG23 ILE A 70 2.651 4.876 1.552 1.00 54.42 H new ATOM 0 HD11 ILE A 70 5.429 1.921 0.220 1.00 50.25 H new ATOM 0 HD12 ILE A 70 4.161 1.053 1.116 1.00 50.25 H new ATOM 0 HD13 ILE A 70 3.727 2.411 0.052 1.00 50.25 H new ATOM 1135 N GLU A 71 1.728 5.336 4.758 1.00 52.11 N ATOM 1136 CA GLU A 71 0.404 5.456 5.331 1.00 52.31 C ATOM 1137 C GLU A 71 -0.642 5.602 4.240 1.00 2.32 C ATOM 1138 O GLU A 71 -0.417 6.246 3.208 1.00 31.54 O ATOM 1139 CB GLU A 71 0.259 6.583 6.358 1.00 41.30 C ATOM 1140 CG GLU A 71 0.479 7.986 5.849 1.00 75.21 C ATOM 1141 CD GLU A 71 1.151 8.844 6.890 1.00 32.52 C ATOM 1142 OE1 GLU A 71 2.324 9.198 6.720 1.00 70.04 O ATOM 1143 OE2 GLU A 71 0.493 9.164 7.903 1.00 23.32 O ATOM 0 H GLU A 71 2.121 6.198 4.379 1.00 52.11 H new ATOM 0 HA GLU A 71 0.242 4.529 5.880 1.00 52.31 H new ATOM 0 HB2 GLU A 71 -0.742 6.528 6.787 1.00 41.30 H new ATOM 0 HB3 GLU A 71 0.964 6.399 7.169 1.00 41.30 H new ATOM 0 HG2 GLU A 71 1.091 7.957 4.948 1.00 75.21 H new ATOM 0 HG3 GLU A 71 -0.477 8.429 5.571 1.00 75.21 H new ATOM 1151 N VAL A 72 -1.784 4.987 4.479 1.00 21.11 N ATOM 1152 CA VAL A 72 -2.880 4.980 3.532 1.00 21.43 C ATOM 1153 C VAL A 72 -4.189 5.253 4.258 1.00 32.32 C ATOM 1154 O VAL A 72 -4.213 5.377 5.482 1.00 24.25 O ATOM 1155 CB VAL A 72 -2.985 3.624 2.798 1.00 42.51 C ATOM 1156 CG1 VAL A 72 -1.745 3.364 1.956 1.00 45.44 C ATOM 1157 CG2 VAL A 72 -3.202 2.488 3.788 1.00 62.54 C ATOM 0 H VAL A 72 -1.978 4.476 5.340 1.00 21.11 H new ATOM 0 HA VAL A 72 -2.687 5.759 2.795 1.00 21.43 H new ATOM 0 HB VAL A 72 -3.847 3.670 2.132 1.00 42.51 H new ATOM 0 HG11 VAL A 72 -1.844 2.404 1.450 1.00 45.44 H new ATOM 0 HG12 VAL A 72 -1.636 4.156 1.215 1.00 45.44 H new ATOM 0 HG13 VAL A 72 -0.865 3.346 2.600 1.00 45.44 H new ATOM 0 HG21 VAL A 72 -3.273 1.544 3.248 1.00 62.54 H new ATOM 0 HG22 VAL A 72 -2.364 2.446 4.484 1.00 62.54 H new ATOM 0 HG23 VAL A 72 -4.125 2.659 4.342 1.00 62.54 H new ATOM 1167 N GLU A 73 -5.272 5.355 3.511 1.00 50.02 N ATOM 1168 CA GLU A 73 -6.582 5.521 4.116 1.00 33.31 C ATOM 1169 C GLU A 73 -7.545 4.459 3.611 1.00 23.22 C ATOM 1170 O GLU A 73 -7.482 4.045 2.449 1.00 21.11 O ATOM 1171 CB GLU A 73 -7.154 6.921 3.855 1.00 61.25 C ATOM 1172 CG GLU A 73 -7.384 7.243 2.389 1.00 44.53 C ATOM 1173 CD GLU A 73 -8.209 8.501 2.199 1.00 74.55 C ATOM 1174 OE1 GLU A 73 -7.638 9.612 2.261 1.00 63.13 O ATOM 1175 OE2 GLU A 73 -9.433 8.385 1.990 1.00 1.14 O ATOM 0 H GLU A 73 -5.273 5.326 2.491 1.00 50.02 H new ATOM 0 HA GLU A 73 -6.460 5.405 5.193 1.00 33.31 H new ATOM 0 HB2 GLU A 73 -8.100 7.019 4.388 1.00 61.25 H new ATOM 0 HB3 GLU A 73 -6.473 7.662 4.274 1.00 61.25 H new ATOM 0 HG2 GLU A 73 -6.422 7.363 1.890 1.00 44.53 H new ATOM 0 HG3 GLU A 73 -7.889 6.404 1.910 1.00 44.53 H new ATOM 1183 N LEU A 74 -8.417 4.013 4.501 1.00 63.24 N ATOM 1184 CA LEU A 74 -9.438 3.043 4.160 1.00 23.05 C ATOM 1185 C LEU A 74 -10.560 3.760 3.421 1.00 74.21 C ATOM 1186 O LEU A 74 -11.275 4.575 4.009 1.00 33.23 O ATOM 1187 CB LEU A 74 -9.979 2.383 5.439 1.00 50.34 C ATOM 1188 CG LEU A 74 -10.328 0.891 5.332 1.00 34.11 C ATOM 1189 CD1 LEU A 74 -11.283 0.630 4.181 1.00 64.30 C ATOM 1190 CD2 LEU A 74 -9.064 0.061 5.179 1.00 60.23 C ATOM 0 H LEU A 74 -8.435 4.313 5.476 1.00 63.24 H new ATOM 0 HA LEU A 74 -9.018 2.265 3.523 1.00 23.05 H new ATOM 0 HB2 LEU A 74 -9.238 2.507 6.229 1.00 50.34 H new ATOM 0 HB3 LEU A 74 -10.872 2.923 5.753 1.00 50.34 H new ATOM 0 HG LEU A 74 -10.830 0.595 6.253 1.00 34.11 H new ATOM 0 HD11 LEU A 74 -11.511 -0.435 4.132 1.00 64.30 H new ATOM 0 HD12 LEU A 74 -12.204 1.191 4.338 1.00 64.30 H new ATOM 0 HD13 LEU A 74 -10.821 0.946 3.246 1.00 64.30 H new ATOM 0 HD21 LEU A 74 -9.328 -0.994 5.104 1.00 60.23 H new ATOM 0 HD22 LEU A 74 -8.535 0.367 4.277 1.00 60.23 H new ATOM 0 HD23 LEU A 74 -8.421 0.214 6.046 1.00 60.23 H new