USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 603 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 6 SER OG : rot -30:sc= 1.19 USER MOD Set 1.2: A 46 LYS NZ :NH3+ 163:sc= 1.2 (180deg=-0.00603) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0278 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 89:sc= 0.0554 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -140:sc= -0.0451 (180deg=-0.279) USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.00484 USER MOD Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0837 X(o=-0.084,f=-0.091) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -156:sc= -0.0451 (180deg=-0.64) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -1:sc= 0.395 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 71 ASN : amide:sc= -2.25! C(o=-2.3!,f=-6.9!) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -7.690 -17.783 5.413 1.00 61.01 N ATOM 2 CA GLY A 2 -8.689 -17.171 4.589 1.00 25.10 C ATOM 3 C GLY A 2 -9.789 -16.687 5.471 1.00 25.11 C ATOM 4 O GLY A 2 -10.966 -16.746 5.126 1.00 73.24 O ATOM 0 HA2 GLY A 2 -8.261 -16.342 4.026 1.00 25.10 H new ATOM 0 HA3 GLY A 2 -9.072 -17.887 3.862 1.00 25.10 H new ATOM 8 N SER A 3 -9.394 -16.233 6.631 1.00 11.51 N ATOM 9 CA SER A 3 -10.303 -15.806 7.648 1.00 53.41 C ATOM 10 C SER A 3 -9.844 -14.485 8.235 1.00 2.32 C ATOM 11 O SER A 3 -10.260 -14.094 9.319 1.00 64.11 O ATOM 12 CB SER A 3 -10.355 -16.894 8.724 1.00 23.00 C ATOM 13 OG SER A 3 -9.035 -17.265 9.137 1.00 60.14 O ATOM 0 H SER A 3 -8.412 -16.150 6.895 1.00 11.51 H new ATOM 0 HA SER A 3 -11.299 -15.654 7.232 1.00 53.41 H new ATOM 0 HB2 SER A 3 -10.922 -16.535 9.583 1.00 23.00 H new ATOM 0 HB3 SER A 3 -10.879 -17.768 8.338 1.00 23.00 H new ATOM 0 HG SER A 3 -9.091 -17.960 9.826 1.00 60.14 H new ATOM 19 N GLU A 4 -9.027 -13.763 7.484 1.00 11.44 N ATOM 20 CA GLU A 4 -8.464 -12.512 7.969 1.00 73.31 C ATOM 21 C GLU A 4 -9.379 -11.346 7.663 1.00 33.45 C ATOM 22 O GLU A 4 -9.011 -10.192 7.897 1.00 45.24 O ATOM 23 CB GLU A 4 -7.067 -12.223 7.387 1.00 21.34 C ATOM 24 CG GLU A 4 -5.972 -13.235 7.719 1.00 3.10 C ATOM 25 CD GLU A 4 -6.127 -14.571 7.019 1.00 72.42 C ATOM 26 OE1 GLU A 4 -5.791 -14.655 5.818 1.00 24.30 O ATOM 27 OE2 GLU A 4 -6.555 -15.560 7.664 1.00 14.31 O ATOM 0 H GLU A 4 -8.740 -14.020 6.540 1.00 11.44 H new ATOM 0 HA GLU A 4 -8.364 -12.628 9.048 1.00 73.31 H new ATOM 0 HB2 GLU A 4 -7.155 -12.158 6.303 1.00 21.34 H new ATOM 0 HB3 GLU A 4 -6.745 -11.243 7.740 1.00 21.34 H new ATOM 0 HG2 GLU A 4 -5.005 -12.808 7.452 1.00 3.10 H new ATOM 0 HG3 GLU A 4 -5.961 -13.401 8.796 1.00 3.10 H new ATOM 34 N VAL A 5 -10.565 -11.656 7.144 1.00 65.23 N ATOM 35 CA VAL A 5 -11.567 -10.663 6.790 1.00 1.40 C ATOM 36 C VAL A 5 -10.970 -9.645 5.819 1.00 4.40 C ATOM 37 O VAL A 5 -10.582 -8.532 6.201 1.00 32.04 O ATOM 38 CB VAL A 5 -12.191 -9.957 8.042 1.00 1.45 C ATOM 39 CG1 VAL A 5 -13.294 -8.984 7.638 1.00 54.34 C ATOM 40 CG2 VAL A 5 -12.730 -10.990 9.028 1.00 21.45 C ATOM 0 H VAL A 5 -10.857 -12.615 6.957 1.00 65.23 H new ATOM 0 HA VAL A 5 -12.388 -11.186 6.300 1.00 1.40 H new ATOM 0 HB VAL A 5 -11.400 -9.386 8.529 1.00 1.45 H new ATOM 0 HG11 VAL A 5 -13.706 -8.511 8.529 1.00 54.34 H new ATOM 0 HG12 VAL A 5 -12.882 -8.220 6.979 1.00 54.34 H new ATOM 0 HG13 VAL A 5 -14.083 -9.525 7.116 1.00 54.34 H new ATOM 0 HG21 VAL A 5 -13.159 -10.480 9.891 1.00 21.45 H new ATOM 0 HG22 VAL A 5 -13.499 -11.591 8.542 1.00 21.45 H new ATOM 0 HG23 VAL A 5 -11.917 -11.638 9.357 1.00 21.45 H new ATOM 50 N SER A 6 -10.829 -10.051 4.588 1.00 12.22 N ATOM 51 CA SER A 6 -10.182 -9.227 3.608 1.00 0.24 C ATOM 52 C SER A 6 -11.215 -8.447 2.786 1.00 71.33 C ATOM 53 O SER A 6 -10.861 -7.578 1.970 1.00 65.13 O ATOM 54 CB SER A 6 -9.275 -10.104 2.715 1.00 4.25 C ATOM 55 OG SER A 6 -8.461 -9.317 1.850 1.00 60.42 O ATOM 0 H SER A 6 -11.155 -10.952 4.239 1.00 12.22 H new ATOM 0 HA SER A 6 -9.555 -8.490 4.110 1.00 0.24 H new ATOM 0 HB2 SER A 6 -8.639 -10.727 3.344 1.00 4.25 H new ATOM 0 HB3 SER A 6 -9.893 -10.777 2.120 1.00 4.25 H new ATOM 0 HG SER A 6 -8.926 -8.482 1.634 1.00 60.42 H new ATOM 61 N ASP A 7 -12.491 -8.725 3.015 1.00 55.15 N ATOM 62 CA ASP A 7 -13.549 -8.039 2.280 1.00 74.34 C ATOM 63 C ASP A 7 -13.972 -6.766 2.952 1.00 71.35 C ATOM 64 O ASP A 7 -15.031 -6.686 3.579 1.00 20.21 O ATOM 65 CB ASP A 7 -14.761 -8.925 1.976 1.00 11.32 C ATOM 66 CG ASP A 7 -14.419 -10.076 1.084 1.00 72.01 C ATOM 67 OD1 ASP A 7 -14.451 -9.920 -0.158 1.00 53.40 O ATOM 68 OD2 ASP A 7 -14.096 -11.159 1.601 1.00 53.11 O ATOM 0 H ASP A 7 -12.818 -9.412 3.695 1.00 55.15 H new ATOM 0 HA ASP A 7 -13.104 -7.784 1.318 1.00 74.34 H new ATOM 0 HB2 ASP A 7 -15.174 -9.304 2.911 1.00 11.32 H new ATOM 0 HB3 ASP A 7 -15.538 -8.323 1.505 1.00 11.32 H new ATOM 73 N LYS A 8 -13.085 -5.812 2.895 1.00 3.43 N ATOM 74 CA LYS A 8 -13.289 -4.461 3.384 1.00 61.50 C ATOM 75 C LYS A 8 -12.414 -3.584 2.552 1.00 62.21 C ATOM 76 O LYS A 8 -12.892 -2.757 1.769 1.00 65.23 O ATOM 77 CB LYS A 8 -12.870 -4.287 4.864 1.00 73.20 C ATOM 78 CG LYS A 8 -13.623 -5.127 5.881 1.00 33.34 C ATOM 79 CD LYS A 8 -13.135 -4.855 7.296 1.00 23.21 C ATOM 80 CE LYS A 8 -13.385 -3.407 7.717 1.00 31.43 C ATOM 81 NZ LYS A 8 -12.915 -3.137 9.089 1.00 5.12 N ATOM 0 H LYS A 8 -12.159 -5.952 2.491 1.00 3.43 H new ATOM 0 HA LYS A 8 -14.349 -4.216 3.319 1.00 61.50 H new ATOM 0 HB2 LYS A 8 -11.808 -4.519 4.948 1.00 73.20 H new ATOM 0 HB3 LYS A 8 -12.989 -3.237 5.132 1.00 73.20 H new ATOM 0 HG2 LYS A 8 -14.689 -4.912 5.815 1.00 33.34 H new ATOM 0 HG3 LYS A 8 -13.496 -6.184 5.648 1.00 33.34 H new ATOM 0 HD2 LYS A 8 -13.640 -5.527 7.990 1.00 23.21 H new ATOM 0 HD3 LYS A 8 -12.069 -5.073 7.360 1.00 23.21 H new ATOM 0 HE2 LYS A 8 -12.879 -2.736 7.023 1.00 31.43 H new ATOM 0 HE3 LYS A 8 -14.451 -3.190 7.651 1.00 31.43 H new ATOM 0 HZ1 LYS A 8 -13.105 -2.144 9.332 1.00 5.12 H new ATOM 0 HZ2 LYS A 8 -13.416 -3.758 9.756 1.00 5.12 H new ATOM 0 HZ3 LYS A 8 -11.893 -3.318 9.148 1.00 5.12 H new ATOM 95 N ARG A 9 -11.102 -3.813 2.713 1.00 14.50 N ATOM 96 CA ARG A 9 -10.040 -3.140 1.973 1.00 43.12 C ATOM 97 C ARG A 9 -9.939 -1.659 2.314 1.00 1.34 C ATOM 98 O ARG A 9 -8.985 -1.247 2.969 1.00 61.52 O ATOM 99 CB ARG A 9 -10.183 -3.347 0.461 1.00 70.33 C ATOM 100 CG ARG A 9 -9.106 -2.665 -0.362 1.00 63.12 C ATOM 101 CD ARG A 9 -9.321 -2.907 -1.833 1.00 13.43 C ATOM 102 NE ARG A 9 -9.253 -4.329 -2.169 1.00 74.31 N ATOM 103 CZ ARG A 9 -9.677 -4.858 -3.319 1.00 34.21 C ATOM 104 NH1 ARG A 9 -10.182 -4.074 -4.268 1.00 64.12 N ATOM 105 NH2 ARG A 9 -9.589 -6.169 -3.519 1.00 41.44 N ATOM 0 H ARG A 9 -10.747 -4.494 3.384 1.00 14.50 H new ATOM 0 HA ARG A 9 -9.106 -3.605 2.289 1.00 43.12 H new ATOM 0 HB2 ARG A 9 -10.166 -4.416 0.248 1.00 70.33 H new ATOM 0 HB3 ARG A 9 -11.157 -2.975 0.145 1.00 70.33 H new ATOM 0 HG2 ARG A 9 -9.112 -1.594 -0.161 1.00 63.12 H new ATOM 0 HG3 ARG A 9 -8.126 -3.039 -0.067 1.00 63.12 H new ATOM 0 HD2 ARG A 9 -10.293 -2.511 -2.128 1.00 13.43 H new ATOM 0 HD3 ARG A 9 -8.569 -2.363 -2.404 1.00 13.43 H new ATOM 0 HE ARG A 9 -8.853 -4.961 -1.475 1.00 74.31 H new ATOM 0 HH11 ARG A 9 -10.246 -3.067 -4.117 1.00 64.12 H new ATOM 0 HH12 ARG A 9 -10.505 -4.480 -5.146 1.00 64.12 H new ATOM 0 HH21 ARG A 9 -9.198 -6.770 -2.794 1.00 41.44 H new ATOM 0 HH22 ARG A 9 -9.913 -6.574 -4.397 1.00 41.44 H new ATOM 119 N THR A 10 -10.943 -0.888 1.892 1.00 74.44 N ATOM 120 CA THR A 10 -10.995 0.552 2.048 1.00 70.31 C ATOM 121 C THR A 10 -10.744 0.947 3.518 1.00 72.35 C ATOM 122 O THR A 10 -11.225 0.277 4.449 1.00 12.21 O ATOM 123 CB THR A 10 -12.382 1.055 1.594 1.00 35.31 C ATOM 124 OG1 THR A 10 -12.694 0.463 0.309 1.00 51.10 O ATOM 125 CG2 THR A 10 -12.379 2.572 1.435 1.00 11.43 C ATOM 0 H THR A 10 -11.763 -1.268 1.419 1.00 74.44 H new ATOM 0 HA THR A 10 -10.218 1.009 1.436 1.00 70.31 H new ATOM 0 HB THR A 10 -13.120 0.775 2.345 1.00 35.31 H new ATOM 0 HG1 THR A 10 -13.574 0.774 0.011 1.00 51.10 H new ATOM 0 HG21 THR A 10 -13.366 2.906 1.114 1.00 11.43 H new ATOM 0 HG22 THR A 10 -12.130 3.037 2.389 1.00 11.43 H new ATOM 0 HG23 THR A 10 -11.639 2.858 0.688 1.00 11.43 H new ATOM 133 N CYS A 11 -10.002 2.007 3.722 1.00 53.44 N ATOM 134 CA CYS A 11 -9.598 2.395 5.048 1.00 72.43 C ATOM 135 C CYS A 11 -10.243 3.698 5.456 1.00 14.15 C ATOM 136 O CYS A 11 -10.543 4.540 4.616 1.00 41.01 O ATOM 137 CB CYS A 11 -8.089 2.559 5.081 1.00 24.23 C ATOM 138 SG CYS A 11 -7.179 1.092 4.519 1.00 64.15 S ATOM 0 H CYS A 11 -9.664 2.620 2.980 1.00 53.44 H new ATOM 0 HA CYS A 11 -9.915 1.619 5.745 1.00 72.43 H new ATOM 0 HB2 CYS A 11 -7.812 3.408 4.457 1.00 24.23 H new ATOM 0 HB3 CYS A 11 -7.781 2.798 6.099 1.00 24.23 H new ATOM 143 N VAL A 12 -10.481 3.840 6.736 1.00 22.34 N ATOM 144 CA VAL A 12 -11.001 5.068 7.300 1.00 32.42 C ATOM 145 C VAL A 12 -9.888 5.733 8.106 1.00 31.03 C ATOM 146 O VAL A 12 -9.679 6.955 8.047 1.00 52.01 O ATOM 147 CB VAL A 12 -12.214 4.798 8.236 1.00 43.20 C ATOM 148 CG1 VAL A 12 -12.764 6.097 8.809 1.00 42.01 C ATOM 149 CG2 VAL A 12 -13.305 4.037 7.500 1.00 42.24 C ATOM 0 H VAL A 12 -10.319 3.104 7.423 1.00 22.34 H new ATOM 0 HA VAL A 12 -11.340 5.711 6.488 1.00 32.42 H new ATOM 0 HB VAL A 12 -11.864 4.183 9.065 1.00 43.20 H new ATOM 0 HG11 VAL A 12 -13.611 5.878 9.459 1.00 42.01 H new ATOM 0 HG12 VAL A 12 -11.986 6.600 9.383 1.00 42.01 H new ATOM 0 HG13 VAL A 12 -13.090 6.745 7.995 1.00 42.01 H new ATOM 0 HG21 VAL A 12 -14.143 3.859 8.174 1.00 42.24 H new ATOM 0 HG22 VAL A 12 -13.644 4.623 6.646 1.00 42.24 H new ATOM 0 HG23 VAL A 12 -12.911 3.082 7.152 1.00 42.24 H new ATOM 159 N SER A 13 -9.162 4.917 8.836 1.00 63.53 N ATOM 160 CA SER A 13 -8.086 5.380 9.663 1.00 4.45 C ATOM 161 C SER A 13 -6.754 5.234 8.933 1.00 42.14 C ATOM 162 O SER A 13 -6.484 4.192 8.318 1.00 23.40 O ATOM 163 CB SER A 13 -8.066 4.581 10.953 1.00 41.52 C ATOM 164 OG SER A 13 -9.320 4.672 11.626 1.00 13.41 O ATOM 0 H SER A 13 -9.307 3.908 8.868 1.00 63.53 H new ATOM 0 HA SER A 13 -8.237 6.435 9.892 1.00 4.45 H new ATOM 0 HB2 SER A 13 -7.840 3.537 10.736 1.00 41.52 H new ATOM 0 HB3 SER A 13 -7.272 4.950 11.602 1.00 41.52 H new ATOM 0 HG SER A 13 -9.286 4.149 12.454 1.00 13.41 H new ATOM 170 N LEU A 14 -5.939 6.258 8.987 1.00 3.21 N ATOM 171 CA LEU A 14 -4.649 6.227 8.340 1.00 41.42 C ATOM 172 C LEU A 14 -3.519 6.055 9.328 1.00 14.30 C ATOM 173 O LEU A 14 -3.625 6.422 10.508 1.00 72.12 O ATOM 174 CB LEU A 14 -4.420 7.468 7.467 1.00 74.41 C ATOM 175 CG LEU A 14 -5.321 7.597 6.238 1.00 11.13 C ATOM 176 CD1 LEU A 14 -5.038 8.889 5.494 1.00 62.41 C ATOM 177 CD2 LEU A 14 -5.120 6.412 5.317 1.00 73.10 C ATOM 0 H LEU A 14 -6.147 7.129 9.475 1.00 3.21 H new ATOM 0 HA LEU A 14 -4.653 5.353 7.689 1.00 41.42 H new ATOM 0 HB2 LEU A 14 -4.555 8.354 8.087 1.00 74.41 H new ATOM 0 HB3 LEU A 14 -3.382 7.467 7.134 1.00 74.41 H new ATOM 0 HG LEU A 14 -6.358 7.615 6.575 1.00 11.13 H new ATOM 0 HD11 LEU A 14 -5.691 8.958 4.624 1.00 62.41 H new ATOM 0 HD12 LEU A 14 -5.222 9.737 6.154 1.00 62.41 H new ATOM 0 HD13 LEU A 14 -3.998 8.901 5.169 1.00 62.41 H new ATOM 0 HD21 LEU A 14 -5.767 6.515 4.446 1.00 73.10 H new ATOM 0 HD22 LEU A 14 -4.080 6.374 4.994 1.00 73.10 H new ATOM 0 HD23 LEU A 14 -5.369 5.493 5.847 1.00 73.10 H new ATOM 189 N THR A 15 -2.468 5.476 8.847 1.00 43.15 N ATOM 190 CA THR A 15 -1.277 5.262 9.569 1.00 3.41 C ATOM 191 C THR A 15 -0.357 6.481 9.383 1.00 41.45 C ATOM 192 O THR A 15 0.169 6.715 8.289 1.00 24.33 O ATOM 193 CB THR A 15 -0.612 3.990 9.007 1.00 3.15 C ATOM 194 OG1 THR A 15 -1.456 2.858 9.230 1.00 32.52 O ATOM 195 CG2 THR A 15 0.734 3.747 9.587 1.00 70.52 C ATOM 0 H THR A 15 -2.425 5.125 7.890 1.00 43.15 H new ATOM 0 HA THR A 15 -1.473 5.135 10.634 1.00 3.41 H new ATOM 0 HB THR A 15 -0.476 4.143 7.936 1.00 3.15 H new ATOM 0 HG1 THR A 15 -2.068 2.752 8.472 1.00 32.52 H new ATOM 0 HG21 THR A 15 1.157 2.839 9.157 1.00 70.52 H new ATOM 0 HG22 THR A 15 1.385 4.592 9.363 1.00 70.52 H new ATOM 0 HG23 THR A 15 0.649 3.631 10.667 1.00 70.52 H new ATOM 203 N THR A 16 -0.182 7.261 10.429 1.00 44.22 N ATOM 204 CA THR A 16 0.625 8.438 10.341 1.00 24.22 C ATOM 205 C THR A 16 2.021 8.168 10.906 1.00 2.11 C ATOM 206 O THR A 16 2.392 8.627 11.990 1.00 31.54 O ATOM 207 CB THR A 16 -0.038 9.658 11.024 1.00 52.14 C ATOM 208 OG1 THR A 16 -1.383 9.790 10.527 1.00 53.14 O ATOM 209 CG2 THR A 16 0.718 10.943 10.691 1.00 63.41 C ATOM 0 H THR A 16 -0.593 7.092 11.347 1.00 44.22 H new ATOM 0 HA THR A 16 0.722 8.694 9.286 1.00 24.22 H new ATOM 0 HB THR A 16 -0.026 9.503 12.103 1.00 52.14 H new ATOM 0 HG1 THR A 16 -1.815 10.559 10.954 1.00 53.14 H new ATOM 0 HG21 THR A 16 0.234 11.787 11.182 1.00 63.41 H new ATOM 0 HG22 THR A 16 1.747 10.861 11.041 1.00 63.41 H new ATOM 0 HG23 THR A 16 0.713 11.099 9.612 1.00 63.41 H new ATOM 217 N GLN A 17 2.717 7.331 10.203 1.00 12.04 N ATOM 218 CA GLN A 17 4.081 6.961 10.461 1.00 22.43 C ATOM 219 C GLN A 17 4.606 6.437 9.147 1.00 2.34 C ATOM 220 O GLN A 17 3.943 6.624 8.125 1.00 53.45 O ATOM 221 CB GLN A 17 4.183 5.879 11.553 1.00 32.11 C ATOM 222 CG GLN A 17 3.508 4.568 11.205 1.00 62.03 C ATOM 223 CD GLN A 17 3.691 3.503 12.260 1.00 43.41 C ATOM 224 OE1 GLN A 17 3.815 3.798 13.446 1.00 62.32 O ATOM 225 NE2 GLN A 17 3.698 2.260 11.841 1.00 2.02 N ATOM 0 H GLN A 17 2.330 6.858 9.386 1.00 12.04 H new ATOM 0 HA GLN A 17 4.656 7.811 10.828 1.00 22.43 H new ATOM 0 HB2 GLN A 17 5.236 5.687 11.759 1.00 32.11 H new ATOM 0 HB3 GLN A 17 3.744 6.266 12.472 1.00 32.11 H new ATOM 0 HG2 GLN A 17 2.442 4.744 11.057 1.00 62.03 H new ATOM 0 HG3 GLN A 17 3.905 4.203 10.258 1.00 62.03 H new ATOM 0 HE21 GLN A 17 3.592 2.056 10.847 1.00 2.02 H new ATOM 0 HE22 GLN A 17 3.809 1.497 12.509 1.00 2.02 H new ATOM 234 N ARG A 18 5.749 5.802 9.139 1.00 11.40 N ATOM 235 CA ARG A 18 6.273 5.288 7.901 1.00 32.30 C ATOM 236 C ARG A 18 6.475 3.791 7.934 1.00 3.45 C ATOM 237 O ARG A 18 6.255 3.138 8.955 1.00 0.35 O ATOM 238 CB ARG A 18 7.580 5.949 7.531 1.00 71.51 C ATOM 239 CG ARG A 18 7.508 7.432 7.340 1.00 73.14 C ATOM 240 CD ARG A 18 8.787 7.892 6.742 1.00 41.44 C ATOM 241 NE ARG A 18 8.822 9.321 6.463 1.00 52.35 N ATOM 242 CZ ARG A 18 9.762 9.901 5.708 1.00 53.42 C ATOM 243 NH1 ARG A 18 10.740 9.165 5.182 1.00 33.21 N ATOM 244 NH2 ARG A 18 9.730 11.198 5.484 1.00 52.20 N ATOM 0 H ARG A 18 6.327 5.630 9.962 1.00 11.40 H new ATOM 0 HA ARG A 18 5.521 5.520 7.147 1.00 32.30 H new ATOM 0 HB2 ARG A 18 8.312 5.733 8.309 1.00 71.51 H new ATOM 0 HB3 ARG A 18 7.951 5.497 6.611 1.00 71.51 H new ATOM 0 HG2 ARG A 18 6.672 7.690 6.691 1.00 73.14 H new ATOM 0 HG3 ARG A 18 7.336 7.929 8.295 1.00 73.14 H new ATOM 0 HD2 ARG A 18 9.605 7.643 7.418 1.00 41.44 H new ATOM 0 HD3 ARG A 18 8.962 7.345 5.815 1.00 41.44 H new ATOM 0 HE ARG A 18 8.092 9.910 6.864 1.00 52.35 H new ATOM 0 HH11 ARG A 18 10.772 8.160 5.355 1.00 33.21 H new ATOM 0 HH12 ARG A 18 11.457 9.606 4.606 1.00 33.21 H new ATOM 0 HH21 ARG A 18 8.985 11.767 5.887 1.00 52.20 H new ATOM 0 HH22 ARG A 18 10.450 11.634 4.907 1.00 52.20 H new ATOM 258 N LEU A 19 6.881 3.272 6.797 1.00 73.51 N ATOM 259 CA LEU A 19 7.241 1.890 6.601 1.00 34.52 C ATOM 260 C LEU A 19 8.530 1.903 5.800 1.00 11.21 C ATOM 261 O LEU A 19 8.780 2.868 5.069 1.00 13.13 O ATOM 262 CB LEU A 19 6.158 1.131 5.804 1.00 45.25 C ATOM 263 CG LEU A 19 4.779 1.007 6.442 1.00 4.11 C ATOM 264 CD1 LEU A 19 3.819 0.325 5.479 1.00 71.41 C ATOM 265 CD2 LEU A 19 4.854 0.223 7.744 1.00 60.22 C ATOM 0 H LEU A 19 6.972 3.829 5.947 1.00 73.51 H new ATOM 0 HA LEU A 19 7.349 1.387 7.562 1.00 34.52 H new ATOM 0 HB2 LEU A 19 6.040 1.625 4.840 1.00 45.25 H new ATOM 0 HB3 LEU A 19 6.529 0.126 5.604 1.00 45.25 H new ATOM 0 HG LEU A 19 4.412 2.009 6.665 1.00 4.11 H new ATOM 0 HD11 LEU A 19 2.836 0.241 5.943 1.00 71.41 H new ATOM 0 HD12 LEU A 19 3.739 0.915 4.566 1.00 71.41 H new ATOM 0 HD13 LEU A 19 4.192 -0.670 5.237 1.00 71.41 H new ATOM 0 HD21 LEU A 19 3.858 0.147 8.181 1.00 60.22 H new ATOM 0 HD22 LEU A 19 5.240 -0.777 7.545 1.00 60.22 H new ATOM 0 HD23 LEU A 19 5.518 0.736 8.440 1.00 60.22 H new ATOM 277 N PRO A 20 9.358 0.859 5.892 1.00 14.34 N ATOM 278 CA PRO A 20 10.651 0.826 5.200 1.00 71.24 C ATOM 279 C PRO A 20 10.529 0.527 3.696 1.00 65.12 C ATOM 280 O PRO A 20 11.523 0.466 2.998 1.00 1.32 O ATOM 281 CB PRO A 20 11.406 -0.296 5.919 1.00 11.42 C ATOM 282 CG PRO A 20 10.345 -1.208 6.450 1.00 1.11 C ATOM 283 CD PRO A 20 9.119 -0.363 6.695 1.00 61.54 C ATOM 0 HA PRO A 20 11.151 1.794 5.239 1.00 71.24 H new ATOM 0 HB2 PRO A 20 12.072 -0.823 5.236 1.00 11.42 H new ATOM 0 HB3 PRO A 20 12.024 0.099 6.725 1.00 11.42 H new ATOM 0 HG2 PRO A 20 10.129 -2.004 5.737 1.00 1.11 H new ATOM 0 HG3 PRO A 20 10.674 -1.687 7.372 1.00 1.11 H new ATOM 0 HD2 PRO A 20 8.211 -0.877 6.379 1.00 61.54 H new ATOM 0 HD3 PRO A 20 9.001 -0.128 7.753 1.00 61.54 H new ATOM 291 N CYS A 21 9.293 0.309 3.226 1.00 72.15 N ATOM 292 CA CYS A 21 8.967 0.009 1.799 1.00 64.05 C ATOM 293 C CYS A 21 9.479 -1.378 1.342 1.00 32.31 C ATOM 294 O CYS A 21 8.807 -2.073 0.598 1.00 72.42 O ATOM 295 CB CYS A 21 9.433 1.129 0.836 1.00 43.52 C ATOM 296 SG CYS A 21 8.987 0.847 -0.919 1.00 43.04 S ATOM 0 H CYS A 21 8.468 0.334 3.826 1.00 72.15 H new ATOM 0 HA CYS A 21 7.879 -0.026 1.750 1.00 64.05 H new ATOM 0 HB2 CYS A 21 9.001 2.075 1.161 1.00 43.52 H new ATOM 0 HB3 CYS A 21 10.516 1.230 0.912 1.00 43.52 H new ATOM 301 N SER A 22 10.643 -1.778 1.830 1.00 73.00 N ATOM 302 CA SER A 22 11.252 -3.072 1.518 1.00 24.02 C ATOM 303 C SER A 22 10.338 -4.249 1.951 1.00 24.51 C ATOM 304 O SER A 22 10.488 -5.379 1.484 1.00 65.21 O ATOM 305 CB SER A 22 12.624 -3.152 2.215 1.00 42.13 C ATOM 306 OG SER A 22 13.304 -4.361 1.928 1.00 31.40 O ATOM 0 H SER A 22 11.203 -1.208 2.464 1.00 73.00 H new ATOM 0 HA SER A 22 11.383 -3.156 0.439 1.00 24.02 H new ATOM 0 HB2 SER A 22 13.239 -2.309 1.900 1.00 42.13 H new ATOM 0 HB3 SER A 22 12.487 -3.062 3.293 1.00 42.13 H new ATOM 0 HG SER A 22 14.169 -4.367 2.389 1.00 31.40 H new ATOM 312 N ARG A 23 9.396 -3.973 2.830 1.00 33.03 N ATOM 313 CA ARG A 23 8.466 -4.985 3.278 1.00 54.32 C ATOM 314 C ARG A 23 7.114 -4.846 2.608 1.00 40.14 C ATOM 315 O ARG A 23 6.179 -5.576 2.930 1.00 74.41 O ATOM 316 CB ARG A 23 8.327 -5.005 4.794 1.00 41.13 C ATOM 317 CG ARG A 23 9.575 -5.476 5.508 1.00 70.15 C ATOM 318 CD ARG A 23 9.352 -5.557 6.996 1.00 44.23 C ATOM 319 NE ARG A 23 10.499 -6.127 7.688 1.00 1.11 N ATOM 320 CZ ARG A 23 10.461 -6.618 8.928 1.00 30.51 C ATOM 321 NH1 ARG A 23 9.343 -6.547 9.637 1.00 13.45 N ATOM 322 NH2 ARG A 23 11.548 -7.162 9.462 1.00 43.41 N ATOM 0 H ARG A 23 9.256 -3.053 3.248 1.00 33.03 H new ATOM 0 HA ARG A 23 8.885 -5.945 2.978 1.00 54.32 H new ATOM 0 HB2 ARG A 23 8.076 -4.003 5.141 1.00 41.13 H new ATOM 0 HB3 ARG A 23 7.495 -5.655 5.066 1.00 41.13 H new ATOM 0 HG2 ARG A 23 9.868 -6.455 5.127 1.00 70.15 H new ATOM 0 HG3 ARG A 23 10.398 -4.793 5.297 1.00 70.15 H new ATOM 0 HD2 ARG A 23 9.151 -4.560 7.387 1.00 44.23 H new ATOM 0 HD3 ARG A 23 8.469 -6.163 7.198 1.00 44.23 H new ATOM 0 HE ARG A 23 11.390 -6.153 7.192 1.00 1.11 H new ATOM 0 HH11 ARG A 23 8.510 -6.117 9.235 1.00 13.45 H new ATOM 0 HH12 ARG A 23 9.315 -6.923 10.585 1.00 13.45 H new ATOM 0 HH21 ARG A 23 12.414 -7.205 8.924 1.00 43.41 H new ATOM 0 HH22 ARG A 23 11.517 -7.537 10.410 1.00 43.41 H new ATOM 336 N ILE A 24 7.009 -3.919 1.675 1.00 22.31 N ATOM 337 CA ILE A 24 5.769 -3.722 0.982 1.00 51.02 C ATOM 338 C ILE A 24 5.599 -4.699 -0.144 1.00 23.50 C ATOM 339 O ILE A 24 6.493 -4.908 -0.965 1.00 33.14 O ATOM 340 CB ILE A 24 5.511 -2.258 0.550 1.00 4.41 C ATOM 341 CG1 ILE A 24 5.318 -1.422 1.808 1.00 5.14 C ATOM 342 CG2 ILE A 24 4.292 -2.147 -0.374 1.00 52.42 C ATOM 343 CD1 ILE A 24 4.915 -0.026 1.523 1.00 24.01 C ATOM 0 H ILE A 24 7.766 -3.299 1.387 1.00 22.31 H new ATOM 0 HA ILE A 24 4.987 -3.932 1.712 1.00 51.02 H new ATOM 0 HB ILE A 24 6.365 -1.891 -0.019 1.00 4.41 H new ATOM 0 HG12 ILE A 24 4.561 -1.891 2.436 1.00 5.14 H new ATOM 0 HG13 ILE A 24 6.247 -1.416 2.379 1.00 5.14 H new ATOM 0 HG21 ILE A 24 4.143 -1.105 -0.656 1.00 52.42 H new ATOM 0 HG22 ILE A 24 4.459 -2.745 -1.270 1.00 52.42 H new ATOM 0 HG23 ILE A 24 3.407 -2.512 0.146 1.00 52.42 H new ATOM 0 HD11 ILE A 24 4.794 0.516 2.461 1.00 24.01 H new ATOM 0 HD12 ILE A 24 5.683 0.459 0.920 1.00 24.01 H new ATOM 0 HD13 ILE A 24 3.971 -0.024 0.978 1.00 24.01 H new ATOM 355 N LYS A 25 4.463 -5.303 -0.143 1.00 21.54 N ATOM 356 CA LYS A 25 4.101 -6.321 -1.056 1.00 22.04 C ATOM 357 C LYS A 25 3.427 -5.674 -2.270 1.00 73.51 C ATOM 358 O LYS A 25 3.833 -5.873 -3.417 1.00 14.01 O ATOM 359 CB LYS A 25 3.099 -7.191 -0.309 1.00 41.51 C ATOM 360 CG LYS A 25 2.795 -8.593 -0.883 1.00 4.12 C ATOM 361 CD LYS A 25 2.249 -8.577 -2.306 1.00 2.01 C ATOM 362 CE LYS A 25 1.937 -9.979 -2.802 1.00 2.41 C ATOM 363 NZ LYS A 25 3.108 -10.878 -2.717 1.00 65.13 N ATOM 0 H LYS A 25 3.727 -5.087 0.529 1.00 21.54 H new ATOM 0 HA LYS A 25 4.956 -6.900 -1.405 1.00 22.04 H new ATOM 0 HB2 LYS A 25 3.461 -7.318 0.711 1.00 41.51 H new ATOM 0 HB3 LYS A 25 2.159 -6.643 -0.248 1.00 41.51 H new ATOM 0 HG2 LYS A 25 3.708 -9.188 -0.862 1.00 4.12 H new ATOM 0 HG3 LYS A 25 2.075 -9.091 -0.234 1.00 4.12 H new ATOM 0 HD2 LYS A 25 1.346 -7.968 -2.343 1.00 2.01 H new ATOM 0 HD3 LYS A 25 2.976 -8.109 -2.970 1.00 2.01 H new ATOM 0 HE2 LYS A 25 1.118 -10.396 -2.215 1.00 2.41 H new ATOM 0 HE3 LYS A 25 1.595 -9.929 -3.836 1.00 2.41 H new ATOM 0 HZ1 LYS A 25 3.144 -11.483 -3.562 1.00 65.13 H new ATOM 0 HZ2 LYS A 25 3.978 -10.311 -2.660 1.00 65.13 H new ATOM 0 HZ3 LYS A 25 3.027 -11.474 -1.868 1.00 65.13 H new ATOM 377 N THR A 26 2.402 -4.902 -2.002 1.00 75.44 N ATOM 378 CA THR A 26 1.620 -4.291 -3.031 1.00 54.21 C ATOM 379 C THR A 26 0.884 -3.101 -2.433 1.00 60.02 C ATOM 380 O THR A 26 0.813 -2.969 -1.197 1.00 75.32 O ATOM 381 CB THR A 26 0.595 -5.322 -3.629 1.00 70.33 C ATOM 382 OG1 THR A 26 -0.130 -4.752 -4.725 1.00 12.30 O ATOM 383 CG2 THR A 26 -0.399 -5.792 -2.569 1.00 55.13 C ATOM 0 H THR A 26 2.091 -4.683 -1.056 1.00 75.44 H new ATOM 0 HA THR A 26 2.270 -3.958 -3.840 1.00 54.21 H new ATOM 0 HB THR A 26 1.173 -6.176 -3.983 1.00 70.33 H new ATOM 0 HG1 THR A 26 -0.760 -5.414 -5.080 1.00 12.30 H new ATOM 0 HG21 THR A 26 -1.095 -6.504 -3.013 1.00 55.13 H new ATOM 0 HG22 THR A 26 0.140 -6.272 -1.752 1.00 55.13 H new ATOM 0 HG23 THR A 26 -0.953 -4.936 -2.184 1.00 55.13 H new ATOM 391 N TYR A 27 0.359 -2.250 -3.276 1.00 61.13 N ATOM 392 CA TYR A 27 -0.378 -1.110 -2.823 1.00 63.13 C ATOM 393 C TYR A 27 -1.685 -1.032 -3.608 1.00 5.24 C ATOM 394 O TYR A 27 -1.790 -1.543 -4.727 1.00 14.34 O ATOM 395 CB TYR A 27 0.427 0.203 -3.001 1.00 13.11 C ATOM 396 CG TYR A 27 0.628 0.602 -4.424 1.00 10.35 C ATOM 397 CD1 TYR A 27 -0.340 1.339 -5.070 1.00 30.20 C ATOM 398 CD2 TYR A 27 1.759 0.245 -5.125 1.00 34.42 C ATOM 399 CE1 TYR A 27 -0.207 1.714 -6.356 1.00 32.22 C ATOM 400 CE2 TYR A 27 1.911 0.614 -6.441 1.00 0.22 C ATOM 401 CZ TYR A 27 0.925 1.354 -7.057 1.00 33.24 C ATOM 402 OH TYR A 27 1.065 1.717 -8.376 1.00 72.14 O ATOM 0 H TYR A 27 0.432 -2.331 -4.290 1.00 61.13 H new ATOM 0 HA TYR A 27 -0.579 -1.224 -1.758 1.00 63.13 H new ATOM 0 HB2 TYR A 27 -0.090 1.008 -2.478 1.00 13.11 H new ATOM 0 HB3 TYR A 27 1.401 0.088 -2.525 1.00 13.11 H new ATOM 0 HD1 TYR A 27 -1.231 1.624 -4.530 1.00 30.20 H new ATOM 0 HD2 TYR A 27 2.533 -0.329 -4.637 1.00 34.42 H new ATOM 0 HE1 TYR A 27 -0.982 2.293 -6.836 1.00 32.22 H new ATOM 0 HE2 TYR A 27 2.797 0.326 -6.988 1.00 0.22 H new ATOM 0 HH TYR A 27 0.591 2.560 -8.535 1.00 72.14 H new ATOM 412 N THR A 28 -2.653 -0.438 -3.027 1.00 75.24 N ATOM 413 CA THR A 28 -3.934 -0.221 -3.637 1.00 3.43 C ATOM 414 C THR A 28 -4.415 1.160 -3.224 1.00 34.11 C ATOM 415 O THR A 28 -4.413 1.476 -2.046 1.00 43.24 O ATOM 416 CB THR A 28 -4.953 -1.297 -3.197 1.00 12.14 C ATOM 417 OG1 THR A 28 -4.415 -2.606 -3.483 1.00 14.15 O ATOM 418 CG2 THR A 28 -6.272 -1.133 -3.946 1.00 63.12 C ATOM 0 H THR A 28 -2.588 -0.070 -2.078 1.00 75.24 H new ATOM 0 HA THR A 28 -3.842 -0.289 -4.721 1.00 3.43 H new ATOM 0 HB THR A 28 -5.137 -1.184 -2.129 1.00 12.14 H new ATOM 0 HG1 THR A 28 -5.057 -3.292 -3.204 1.00 14.15 H new ATOM 0 HG21 THR A 28 -6.973 -1.901 -3.620 1.00 63.12 H new ATOM 0 HG22 THR A 28 -6.689 -0.148 -3.737 1.00 63.12 H new ATOM 0 HG23 THR A 28 -6.097 -1.233 -5.017 1.00 63.12 H new ATOM 426 N ILE A 29 -4.784 1.977 -4.155 1.00 43.55 N ATOM 427 CA ILE A 29 -5.255 3.290 -3.806 1.00 72.25 C ATOM 428 C ILE A 29 -6.762 3.342 -3.925 1.00 35.21 C ATOM 429 O ILE A 29 -7.329 3.050 -4.989 1.00 61.55 O ATOM 430 CB ILE A 29 -4.624 4.397 -4.692 1.00 64.10 C ATOM 431 CG1 ILE A 29 -3.094 4.358 -4.595 1.00 71.41 C ATOM 432 CG2 ILE A 29 -5.149 5.781 -4.280 1.00 0.42 C ATOM 433 CD1 ILE A 29 -2.406 5.416 -5.424 1.00 54.30 C ATOM 0 H ILE A 29 -4.772 1.769 -5.153 1.00 43.55 H new ATOM 0 HA ILE A 29 -4.952 3.481 -2.776 1.00 72.25 H new ATOM 0 HB ILE A 29 -4.910 4.211 -5.727 1.00 64.10 H new ATOM 0 HG12 ILE A 29 -2.802 4.479 -3.552 1.00 71.41 H new ATOM 0 HG13 ILE A 29 -2.744 3.376 -4.912 1.00 71.41 H new ATOM 0 HG21 ILE A 29 -4.696 6.545 -4.912 1.00 0.42 H new ATOM 0 HG22 ILE A 29 -6.232 5.809 -4.397 1.00 0.42 H new ATOM 0 HG23 ILE A 29 -4.892 5.972 -3.238 1.00 0.42 H new ATOM 0 HD11 ILE A 29 -1.326 5.326 -5.305 1.00 54.30 H new ATOM 0 HD12 ILE A 29 -2.668 5.283 -6.474 1.00 54.30 H new ATOM 0 HD13 ILE A 29 -2.727 6.404 -5.092 1.00 54.30 H new ATOM 445 N THR A 30 -7.397 3.707 -2.858 1.00 65.25 N ATOM 446 CA THR A 30 -8.820 3.840 -2.839 1.00 3.11 C ATOM 447 C THR A 30 -9.177 5.301 -2.871 1.00 2.13 C ATOM 448 O THR A 30 -8.762 6.058 -2.006 1.00 44.43 O ATOM 449 CB THR A 30 -9.443 3.160 -1.591 1.00 12.32 C ATOM 450 OG1 THR A 30 -8.792 3.621 -0.388 1.00 13.31 O ATOM 451 CG2 THR A 30 -9.335 1.643 -1.685 1.00 15.11 C ATOM 0 H THR A 30 -6.942 3.922 -1.971 1.00 65.25 H new ATOM 0 HA THR A 30 -9.227 3.338 -3.717 1.00 3.11 H new ATOM 0 HB THR A 30 -10.498 3.432 -1.554 1.00 12.32 H new ATOM 0 HG1 THR A 30 -9.197 3.185 0.391 1.00 13.31 H new ATOM 0 HG21 THR A 30 -9.779 1.191 -0.798 1.00 15.11 H new ATOM 0 HG22 THR A 30 -9.863 1.295 -2.573 1.00 15.11 H new ATOM 0 HG23 THR A 30 -8.285 1.356 -1.752 1.00 15.11 H new ATOM 459 N GLU A 31 -9.904 5.701 -3.868 1.00 22.42 N ATOM 460 CA GLU A 31 -10.290 7.075 -4.012 1.00 20.31 C ATOM 461 C GLU A 31 -11.797 7.172 -3.928 1.00 60.31 C ATOM 462 O GLU A 31 -12.510 6.360 -4.527 1.00 14.23 O ATOM 463 CB GLU A 31 -9.775 7.637 -5.344 1.00 62.02 C ATOM 464 CG GLU A 31 -8.264 7.481 -5.528 1.00 1.45 C ATOM 465 CD GLU A 31 -7.748 8.065 -6.817 1.00 31.03 C ATOM 466 OE1 GLU A 31 -7.969 7.462 -7.881 1.00 40.30 O ATOM 467 OE2 GLU A 31 -7.080 9.113 -6.788 1.00 14.25 O ATOM 0 H GLU A 31 -10.248 5.086 -4.606 1.00 22.42 H new ATOM 0 HA GLU A 31 -9.849 7.668 -3.211 1.00 20.31 H new ATOM 0 HB2 GLU A 31 -10.287 7.133 -6.164 1.00 62.02 H new ATOM 0 HB3 GLU A 31 -10.034 8.694 -5.408 1.00 62.02 H new ATOM 0 HG2 GLU A 31 -7.754 7.960 -4.692 1.00 1.45 H new ATOM 0 HG3 GLU A 31 -8.010 6.422 -5.492 1.00 1.45 H new ATOM 474 N GLY A 32 -12.280 8.116 -3.164 1.00 52.53 N ATOM 475 CA GLY A 32 -13.698 8.295 -3.024 1.00 21.52 C ATOM 476 C GLY A 32 -14.086 8.502 -1.590 1.00 42.22 C ATOM 477 O GLY A 32 -14.348 9.626 -1.166 1.00 55.55 O ATOM 0 H GLY A 32 -11.711 8.772 -2.630 1.00 52.53 H new ATOM 0 HA2 GLY A 32 -14.018 9.152 -3.616 1.00 21.52 H new ATOM 0 HA3 GLY A 32 -14.217 7.422 -3.420 1.00 21.52 H new ATOM 481 N SER A 33 -14.115 7.434 -0.841 1.00 15.34 N ATOM 482 CA SER A 33 -14.426 7.506 0.557 1.00 62.22 C ATOM 483 C SER A 33 -13.134 7.301 1.327 1.00 0.53 C ATOM 484 O SER A 33 -12.675 6.169 1.477 1.00 31.03 O ATOM 485 CB SER A 33 -15.472 6.438 0.920 1.00 33.30 C ATOM 486 OG SER A 33 -15.915 6.550 2.270 1.00 22.11 O ATOM 0 H SER A 33 -13.924 6.492 -1.183 1.00 15.34 H new ATOM 0 HA SER A 33 -14.854 8.475 0.812 1.00 62.22 H new ATOM 0 HB2 SER A 33 -16.328 6.529 0.251 1.00 33.30 H new ATOM 0 HB3 SER A 33 -15.046 5.447 0.761 1.00 33.30 H new ATOM 0 HG SER A 33 -16.579 5.853 2.455 1.00 22.11 H new ATOM 492 N LEU A 34 -12.553 8.412 1.783 1.00 53.31 N ATOM 493 CA LEU A 34 -11.257 8.468 2.425 1.00 31.31 C ATOM 494 C LEU A 34 -10.183 7.868 1.498 1.00 14.15 C ATOM 495 O LEU A 34 -9.953 6.651 1.461 1.00 40.42 O ATOM 496 CB LEU A 34 -11.301 7.825 3.831 1.00 53.22 C ATOM 497 CG LEU A 34 -10.131 8.093 4.804 1.00 11.32 C ATOM 498 CD1 LEU A 34 -8.819 7.459 4.368 1.00 43.14 C ATOM 499 CD2 LEU A 34 -9.951 9.585 5.038 1.00 4.40 C ATOM 0 H LEU A 34 -12.997 9.327 1.708 1.00 53.31 H new ATOM 0 HA LEU A 34 -10.978 9.508 2.593 1.00 31.31 H new ATOM 0 HB2 LEU A 34 -12.219 8.156 4.318 1.00 53.22 H new ATOM 0 HB3 LEU A 34 -11.381 6.746 3.699 1.00 53.22 H new ATOM 0 HG LEU A 34 -10.406 7.612 5.743 1.00 11.32 H new ATOM 0 HD11 LEU A 34 -8.043 7.689 5.098 1.00 43.14 H new ATOM 0 HD12 LEU A 34 -8.943 6.378 4.298 1.00 43.14 H new ATOM 0 HD13 LEU A 34 -8.529 7.855 3.395 1.00 43.14 H new ATOM 0 HD21 LEU A 34 -9.122 9.748 5.726 1.00 4.40 H new ATOM 0 HD22 LEU A 34 -9.738 10.079 4.090 1.00 4.40 H new ATOM 0 HD23 LEU A 34 -10.864 9.999 5.466 1.00 4.40 H new ATOM 511 N ARG A 35 -9.582 8.729 0.719 1.00 75.21 N ATOM 512 CA ARG A 35 -8.566 8.331 -0.210 1.00 33.10 C ATOM 513 C ARG A 35 -7.309 7.921 0.519 1.00 31.22 C ATOM 514 O ARG A 35 -6.671 8.733 1.190 1.00 32.23 O ATOM 515 CB ARG A 35 -8.289 9.427 -1.232 1.00 31.14 C ATOM 516 CG ARG A 35 -7.215 9.066 -2.240 1.00 21.30 C ATOM 517 CD ARG A 35 -7.089 10.120 -3.313 1.00 44.24 C ATOM 518 NE ARG A 35 -6.733 11.432 -2.778 1.00 40.31 N ATOM 519 CZ ARG A 35 -6.833 12.569 -3.465 1.00 12.23 C ATOM 520 NH1 ARG A 35 -7.371 12.573 -4.688 1.00 12.15 N ATOM 521 NH2 ARG A 35 -6.424 13.703 -2.918 1.00 20.15 N ATOM 0 H ARG A 35 -9.787 9.728 0.714 1.00 75.21 H new ATOM 0 HA ARG A 35 -8.931 7.464 -0.760 1.00 33.10 H new ATOM 0 HB2 ARG A 35 -9.212 9.656 -1.765 1.00 31.14 H new ATOM 0 HB3 ARG A 35 -7.991 10.334 -0.706 1.00 31.14 H new ATOM 0 HG2 ARG A 35 -6.259 8.949 -1.729 1.00 21.30 H new ATOM 0 HG3 ARG A 35 -7.452 8.105 -2.698 1.00 21.30 H new ATOM 0 HD2 ARG A 35 -6.333 9.809 -4.034 1.00 44.24 H new ATOM 0 HD3 ARG A 35 -8.033 10.197 -3.853 1.00 44.24 H new ATOM 0 HE ARG A 35 -6.387 11.480 -1.820 1.00 40.31 H new ATOM 0 HH11 ARG A 35 -7.708 11.703 -5.100 1.00 12.15 H new ATOM 0 HH12 ARG A 35 -7.445 13.446 -5.210 1.00 12.15 H new ATOM 0 HH21 ARG A 35 -6.035 13.703 -1.975 1.00 20.15 H new ATOM 0 HH22 ARG A 35 -6.498 14.577 -3.439 1.00 20.15 H new ATOM 535 N ALA A 36 -6.962 6.680 0.387 1.00 63.03 N ATOM 536 CA ALA A 36 -5.850 6.131 1.091 1.00 41.14 C ATOM 537 C ALA A 36 -5.046 5.239 0.195 1.00 71.21 C ATOM 538 O ALA A 36 -5.575 4.664 -0.767 1.00 11.50 O ATOM 539 CB ALA A 36 -6.354 5.323 2.271 1.00 32.14 C ATOM 0 H ALA A 36 -7.446 6.016 -0.217 1.00 63.03 H new ATOM 0 HA ALA A 36 -5.217 6.949 1.436 1.00 41.14 H new ATOM 0 HB1 ALA A 36 -5.507 4.902 2.812 1.00 32.14 H new ATOM 0 HB2 ALA A 36 -6.925 5.970 2.938 1.00 32.14 H new ATOM 0 HB3 ALA A 36 -6.993 4.516 1.913 1.00 32.14 H new ATOM 545 N VAL A 37 -3.774 5.142 0.477 1.00 73.22 N ATOM 546 CA VAL A 37 -2.941 4.217 -0.201 1.00 50.21 C ATOM 547 C VAL A 37 -2.777 3.050 0.722 1.00 4.23 C ATOM 548 O VAL A 37 -2.209 3.179 1.804 1.00 43.44 O ATOM 549 CB VAL A 37 -1.552 4.799 -0.514 1.00 44.20 C ATOM 550 CG1 VAL A 37 -0.732 3.803 -1.303 1.00 61.10 C ATOM 551 CG2 VAL A 37 -1.662 6.110 -1.264 1.00 54.22 C ATOM 0 H VAL A 37 -3.299 5.705 1.182 1.00 73.22 H new ATOM 0 HA VAL A 37 -3.396 3.948 -1.155 1.00 50.21 H new ATOM 0 HB VAL A 37 -1.048 4.998 0.432 1.00 44.20 H new ATOM 0 HG11 VAL A 37 0.249 4.228 -1.518 1.00 61.10 H new ATOM 0 HG12 VAL A 37 -0.612 2.889 -0.722 1.00 61.10 H new ATOM 0 HG13 VAL A 37 -1.241 3.573 -2.239 1.00 61.10 H new ATOM 0 HG21 VAL A 37 -0.664 6.496 -1.470 1.00 54.22 H new ATOM 0 HG22 VAL A 37 -2.190 5.948 -2.204 1.00 54.22 H new ATOM 0 HG23 VAL A 37 -2.211 6.831 -0.658 1.00 54.22 H new ATOM 561 N ILE A 38 -3.286 1.955 0.336 1.00 30.12 N ATOM 562 CA ILE A 38 -3.248 0.796 1.151 1.00 40.35 C ATOM 563 C ILE A 38 -2.039 -0.016 0.800 1.00 3.02 C ATOM 564 O ILE A 38 -1.879 -0.444 -0.339 1.00 31.15 O ATOM 565 CB ILE A 38 -4.521 -0.039 0.959 1.00 45.15 C ATOM 566 CG1 ILE A 38 -5.738 0.845 1.223 1.00 64.05 C ATOM 567 CG2 ILE A 38 -4.519 -1.254 1.893 1.00 43.31 C ATOM 568 CD1 ILE A 38 -7.047 0.157 1.005 1.00 62.33 C ATOM 0 H ILE A 38 -3.749 1.825 -0.564 1.00 30.12 H new ATOM 0 HA ILE A 38 -3.193 1.097 2.197 1.00 40.35 H new ATOM 0 HB ILE A 38 -4.559 -0.411 -0.065 1.00 45.15 H new ATOM 0 HG12 ILE A 38 -5.696 1.207 2.250 1.00 64.05 H new ATOM 0 HG13 ILE A 38 -5.686 1.720 0.575 1.00 64.05 H new ATOM 0 HG21 ILE A 38 -5.430 -1.832 1.740 1.00 43.31 H new ATOM 0 HG22 ILE A 38 -3.653 -1.879 1.676 1.00 43.31 H new ATOM 0 HG23 ILE A 38 -4.472 -0.917 2.928 1.00 43.31 H new ATOM 0 HD11 ILE A 38 -7.862 0.851 1.213 1.00 62.33 H new ATOM 0 HD12 ILE A 38 -7.113 -0.180 -0.029 1.00 62.33 H new ATOM 0 HD13 ILE A 38 -7.122 -0.702 1.672 1.00 62.33 H new ATOM 580 N PHE A 39 -1.193 -0.193 1.753 1.00 23.31 N ATOM 581 CA PHE A 39 -0.019 -0.966 1.586 1.00 40.41 C ATOM 582 C PHE A 39 -0.157 -2.257 2.273 1.00 55.20 C ATOM 583 O PHE A 39 -0.425 -2.317 3.470 1.00 62.21 O ATOM 584 CB PHE A 39 1.223 -0.251 2.081 1.00 22.42 C ATOM 585 CG PHE A 39 1.642 0.866 1.212 1.00 21.30 C ATOM 586 CD1 PHE A 39 2.066 0.603 -0.068 1.00 72.44 C ATOM 587 CD2 PHE A 39 1.644 2.165 1.659 1.00 21.43 C ATOM 588 CE1 PHE A 39 2.477 1.601 -0.896 1.00 44.21 C ATOM 589 CE2 PHE A 39 2.058 3.180 0.830 1.00 30.03 C ATOM 590 CZ PHE A 39 2.475 2.881 -0.460 1.00 5.33 C ATOM 0 H PHE A 39 -1.302 0.204 2.686 1.00 23.31 H new ATOM 0 HA PHE A 39 0.103 -1.129 0.515 1.00 40.41 H new ATOM 0 HB2 PHE A 39 1.038 0.130 3.086 1.00 22.42 H new ATOM 0 HB3 PHE A 39 2.040 -0.968 2.157 1.00 22.42 H new ATOM 0 HD1 PHE A 39 2.073 -0.417 -0.424 1.00 72.44 H new ATOM 0 HD2 PHE A 39 1.319 2.389 2.664 1.00 21.43 H new ATOM 0 HE1 PHE A 39 2.804 1.372 -1.899 1.00 44.21 H new ATOM 0 HE2 PHE A 39 2.059 4.202 1.179 1.00 30.03 H new ATOM 0 HZ PHE A 39 2.799 3.674 -1.118 1.00 5.33 H new ATOM 600 N ILE A 40 -0.005 -3.288 1.543 1.00 40.25 N ATOM 601 CA ILE A 40 -0.063 -4.563 2.126 1.00 14.34 C ATOM 602 C ILE A 40 1.354 -4.967 2.395 1.00 51.13 C ATOM 603 O ILE A 40 2.206 -4.882 1.500 1.00 53.21 O ATOM 604 CB ILE A 40 -0.720 -5.612 1.202 1.00 11.31 C ATOM 605 CG1 ILE A 40 -2.027 -5.064 0.588 1.00 30.42 C ATOM 606 CG2 ILE A 40 -1.022 -6.873 2.014 1.00 4.13 C ATOM 607 CD1 ILE A 40 -3.085 -4.677 1.599 1.00 21.04 C ATOM 0 H ILE A 40 0.161 -3.274 0.537 1.00 40.25 H new ATOM 0 HA ILE A 40 -0.672 -4.519 3.029 1.00 14.34 H new ATOM 0 HB ILE A 40 -0.033 -5.845 0.389 1.00 11.31 H new ATOM 0 HG12 ILE A 40 -1.789 -4.192 -0.021 1.00 30.42 H new ATOM 0 HG13 ILE A 40 -2.442 -5.817 -0.082 1.00 30.42 H new ATOM 0 HG21 ILE A 40 -1.486 -7.619 1.369 1.00 4.13 H new ATOM 0 HG22 ILE A 40 -0.094 -7.274 2.423 1.00 4.13 H new ATOM 0 HG23 ILE A 40 -1.701 -6.626 2.830 1.00 4.13 H new ATOM 0 HD11 ILE A 40 -3.967 -4.303 1.078 1.00 21.04 H new ATOM 0 HD12 ILE A 40 -3.357 -5.549 2.193 1.00 21.04 H new ATOM 0 HD13 ILE A 40 -2.694 -3.899 2.255 1.00 21.04 H new ATOM 619 N THR A 41 1.627 -5.337 3.595 1.00 11.52 N ATOM 620 CA THR A 41 2.934 -5.789 3.939 1.00 14.10 C ATOM 621 C THR A 41 3.043 -7.261 3.543 1.00 23.22 C ATOM 622 O THR A 41 2.015 -7.941 3.401 1.00 32.34 O ATOM 623 CB THR A 41 3.220 -5.581 5.460 1.00 24.52 C ATOM 624 OG1 THR A 41 4.505 -6.088 5.806 1.00 14.35 O ATOM 625 CG2 THR A 41 2.163 -6.245 6.329 1.00 10.45 C ATOM 0 H THR A 41 0.958 -5.337 4.365 1.00 11.52 H new ATOM 0 HA THR A 41 3.684 -5.208 3.403 1.00 14.10 H new ATOM 0 HB THR A 41 3.192 -4.507 5.645 1.00 24.52 H new ATOM 0 HG1 THR A 41 4.666 -5.947 6.762 1.00 14.35 H new ATOM 0 HG21 THR A 41 2.398 -6.077 7.380 1.00 10.45 H new ATOM 0 HG22 THR A 41 1.186 -5.818 6.103 1.00 10.45 H new ATOM 0 HG23 THR A 41 2.147 -7.316 6.127 1.00 10.45 H new ATOM 633 N LYS A 42 4.261 -7.763 3.380 1.00 5.44 N ATOM 634 CA LYS A 42 4.470 -9.154 2.970 1.00 51.13 C ATOM 635 C LYS A 42 4.059 -10.129 4.069 1.00 30.33 C ATOM 636 O LYS A 42 3.994 -11.342 3.857 1.00 34.22 O ATOM 637 CB LYS A 42 5.909 -9.412 2.497 1.00 61.22 C ATOM 638 CG LYS A 42 6.314 -8.572 1.286 1.00 52.20 C ATOM 639 CD LYS A 42 7.688 -8.956 0.741 1.00 71.00 C ATOM 640 CE LYS A 42 8.805 -8.752 1.757 1.00 72.24 C ATOM 641 NZ LYS A 42 10.124 -9.142 1.207 1.00 62.44 N ATOM 0 H LYS A 42 5.120 -7.232 3.524 1.00 5.44 H new ATOM 0 HA LYS A 42 3.821 -9.330 2.113 1.00 51.13 H new ATOM 0 HB2 LYS A 42 6.595 -9.205 3.318 1.00 61.22 H new ATOM 0 HB3 LYS A 42 6.017 -10.468 2.249 1.00 61.22 H new ATOM 0 HG2 LYS A 42 5.569 -8.691 0.500 1.00 52.20 H new ATOM 0 HG3 LYS A 42 6.319 -7.518 1.564 1.00 52.20 H new ATOM 0 HD2 LYS A 42 7.672 -10.001 0.431 1.00 71.00 H new ATOM 0 HD3 LYS A 42 7.900 -8.363 -0.149 1.00 71.00 H new ATOM 0 HE2 LYS A 42 8.833 -7.706 2.062 1.00 72.24 H new ATOM 0 HE3 LYS A 42 8.595 -9.339 2.651 1.00 72.24 H new ATOM 0 HZ1 LYS A 42 10.859 -8.989 1.927 1.00 62.44 H new ATOM 0 HZ2 LYS A 42 10.105 -10.147 0.939 1.00 62.44 H new ATOM 0 HZ3 LYS A 42 10.335 -8.564 0.369 1.00 62.44 H new ATOM 655 N ARG A 43 3.779 -9.580 5.234 1.00 72.30 N ATOM 656 CA ARG A 43 3.291 -10.333 6.366 1.00 61.13 C ATOM 657 C ARG A 43 1.785 -10.675 6.117 1.00 60.22 C ATOM 658 O ARG A 43 1.227 -11.576 6.734 1.00 50.51 O ATOM 659 CB ARG A 43 3.524 -9.466 7.647 1.00 70.40 C ATOM 660 CG ARG A 43 3.339 -10.130 9.029 1.00 11.02 C ATOM 661 CD ARG A 43 1.903 -10.474 9.364 1.00 13.44 C ATOM 662 NE ARG A 43 1.775 -11.006 10.719 1.00 1.20 N ATOM 663 CZ ARG A 43 0.724 -11.694 11.187 1.00 44.52 C ATOM 664 NH1 ARG A 43 -0.294 -12.015 10.376 1.00 54.31 N ATOM 665 NH2 ARG A 43 0.697 -12.061 12.460 1.00 13.11 N ATOM 0 H ARG A 43 3.887 -8.583 5.421 1.00 72.30 H new ATOM 0 HA ARG A 43 3.816 -11.278 6.503 1.00 61.13 H new ATOM 0 HB2 ARG A 43 4.540 -9.073 7.601 1.00 70.40 H new ATOM 0 HB3 ARG A 43 2.849 -8.612 7.597 1.00 70.40 H new ATOM 0 HG2 ARG A 43 3.937 -11.041 9.065 1.00 11.02 H new ATOM 0 HG3 ARG A 43 3.729 -9.461 9.796 1.00 11.02 H new ATOM 0 HD2 ARG A 43 1.283 -9.583 9.263 1.00 13.44 H new ATOM 0 HD3 ARG A 43 1.528 -11.206 8.649 1.00 13.44 H new ATOM 0 HE ARG A 43 2.549 -10.840 11.362 1.00 1.20 H new ATOM 0 HH11 ARG A 43 -0.272 -11.736 9.395 1.00 54.31 H new ATOM 0 HH12 ARG A 43 -1.090 -12.539 10.740 1.00 54.31 H new ATOM 0 HH21 ARG A 43 1.473 -11.820 13.077 1.00 13.11 H new ATOM 0 HH22 ARG A 43 -0.099 -12.585 12.823 1.00 13.11 H new ATOM 679 N GLY A 44 1.154 -9.958 5.177 1.00 23.51 N ATOM 680 CA GLY A 44 -0.236 -10.242 4.804 1.00 52.12 C ATOM 681 C GLY A 44 -1.252 -9.319 5.454 1.00 5.11 C ATOM 682 O GLY A 44 -2.460 -9.531 5.343 1.00 4.21 O ATOM 0 H GLY A 44 1.580 -9.185 4.666 1.00 23.51 H new ATOM 0 HA2 GLY A 44 -0.333 -10.167 3.721 1.00 52.12 H new ATOM 0 HA3 GLY A 44 -0.471 -11.272 5.074 1.00 52.12 H new ATOM 686 N LEU A 45 -0.780 -8.315 6.140 1.00 43.01 N ATOM 687 CA LEU A 45 -1.665 -7.361 6.787 1.00 21.22 C ATOM 688 C LEU A 45 -1.801 -6.107 5.980 1.00 24.12 C ATOM 689 O LEU A 45 -0.910 -5.736 5.207 1.00 51.33 O ATOM 690 CB LEU A 45 -1.211 -7.051 8.203 1.00 41.11 C ATOM 691 CG LEU A 45 -1.213 -8.232 9.170 1.00 34.45 C ATOM 692 CD1 LEU A 45 -0.735 -7.792 10.529 1.00 4.35 C ATOM 693 CD2 LEU A 45 -2.602 -8.850 9.271 1.00 52.44 C ATOM 0 H LEU A 45 0.214 -8.128 6.271 1.00 43.01 H new ATOM 0 HA LEU A 45 -2.649 -7.825 6.850 1.00 21.22 H new ATOM 0 HB2 LEU A 45 -0.202 -6.641 8.160 1.00 41.11 H new ATOM 0 HB3 LEU A 45 -1.855 -6.271 8.609 1.00 41.11 H new ATOM 0 HG LEU A 45 -0.532 -8.991 8.785 1.00 34.45 H new ATOM 0 HD11 LEU A 45 -0.741 -8.643 11.210 1.00 4.35 H new ATOM 0 HD12 LEU A 45 0.278 -7.399 10.449 1.00 4.35 H new ATOM 0 HD13 LEU A 45 -1.396 -7.015 10.913 1.00 4.35 H new ATOM 0 HD21 LEU A 45 -2.577 -9.689 9.966 1.00 52.44 H new ATOM 0 HD22 LEU A 45 -3.308 -8.102 9.631 1.00 52.44 H new ATOM 0 HD23 LEU A 45 -2.916 -9.202 8.288 1.00 52.44 H new ATOM 705 N LYS A 46 -2.902 -5.471 6.176 1.00 22.14 N ATOM 706 CA LYS A 46 -3.261 -4.282 5.473 1.00 10.13 C ATOM 707 C LYS A 46 -2.895 -3.064 6.265 1.00 50.25 C ATOM 708 O LYS A 46 -3.343 -2.885 7.401 1.00 64.24 O ATOM 709 CB LYS A 46 -4.744 -4.299 5.240 1.00 61.13 C ATOM 710 CG LYS A 46 -5.203 -5.348 4.281 1.00 33.41 C ATOM 711 CD LYS A 46 -6.673 -5.523 4.415 1.00 1.41 C ATOM 712 CE LYS A 46 -7.267 -6.338 3.294 1.00 54.30 C ATOM 713 NZ LYS A 46 -6.744 -7.714 3.246 1.00 74.51 N ATOM 0 H LYS A 46 -3.604 -5.771 6.852 1.00 22.14 H new ATOM 0 HA LYS A 46 -2.723 -4.248 4.526 1.00 10.13 H new ATOM 0 HB2 LYS A 46 -5.248 -4.450 6.194 1.00 61.13 H new ATOM 0 HB3 LYS A 46 -5.053 -3.322 4.867 1.00 61.13 H new ATOM 0 HG2 LYS A 46 -4.950 -5.060 3.260 1.00 33.41 H new ATOM 0 HG3 LYS A 46 -4.693 -6.290 4.482 1.00 33.41 H new ATOM 0 HD2 LYS A 46 -6.892 -6.008 5.366 1.00 1.41 H new ATOM 0 HD3 LYS A 46 -7.151 -4.544 4.439 1.00 1.41 H new ATOM 0 HE2 LYS A 46 -8.350 -6.370 3.410 1.00 54.30 H new ATOM 0 HE3 LYS A 46 -7.062 -5.844 2.344 1.00 54.30 H new ATOM 0 HZ1 LYS A 46 -7.373 -8.304 2.665 1.00 74.51 H new ATOM 0 HZ2 LYS A 46 -5.791 -7.709 2.829 1.00 74.51 H new ATOM 0 HZ3 LYS A 46 -6.698 -8.102 4.210 1.00 74.51 H new ATOM 727 N VAL A 47 -2.077 -2.257 5.695 1.00 12.22 N ATOM 728 CA VAL A 47 -1.710 -0.998 6.290 1.00 34.14 C ATOM 729 C VAL A 47 -2.304 0.099 5.418 1.00 33.34 C ATOM 730 O VAL A 47 -2.383 -0.056 4.209 1.00 14.42 O ATOM 731 CB VAL A 47 -0.159 -0.827 6.379 1.00 33.50 C ATOM 732 CG1 VAL A 47 0.218 0.467 7.097 1.00 1.44 C ATOM 733 CG2 VAL A 47 0.487 -2.030 7.064 1.00 44.21 C ATOM 0 H VAL A 47 -1.633 -2.441 4.795 1.00 12.22 H new ATOM 0 HA VAL A 47 -2.091 -0.950 7.310 1.00 34.14 H new ATOM 0 HB VAL A 47 0.223 -0.768 5.360 1.00 33.50 H new ATOM 0 HG11 VAL A 47 1.303 0.555 7.142 1.00 1.44 H new ATOM 0 HG12 VAL A 47 -0.193 1.318 6.554 1.00 1.44 H new ATOM 0 HG13 VAL A 47 -0.187 0.453 8.109 1.00 1.44 H new ATOM 0 HG21 VAL A 47 1.566 -1.885 7.113 1.00 44.21 H new ATOM 0 HG22 VAL A 47 0.089 -2.131 8.074 1.00 44.21 H new ATOM 0 HG23 VAL A 47 0.268 -2.934 6.495 1.00 44.21 H new ATOM 743 N CYS A 48 -2.713 1.186 5.997 1.00 44.14 N ATOM 744 CA CYS A 48 -3.317 2.230 5.216 1.00 61.24 C ATOM 745 C CYS A 48 -2.503 3.493 5.426 1.00 1.54 C ATOM 746 O CYS A 48 -2.326 3.940 6.554 1.00 72.21 O ATOM 747 CB CYS A 48 -4.741 2.441 5.720 1.00 3.34 C ATOM 748 SG CYS A 48 -5.704 0.890 5.871 1.00 24.54 S ATOM 0 H CYS A 48 -2.643 1.376 6.997 1.00 44.14 H new ATOM 0 HA CYS A 48 -3.341 1.974 4.157 1.00 61.24 H new ATOM 0 HB2 CYS A 48 -4.704 2.932 6.693 1.00 3.34 H new ATOM 0 HB3 CYS A 48 -5.261 3.117 5.041 1.00 3.34 H new ATOM 753 N ALA A 49 -2.047 4.078 4.360 1.00 20.12 N ATOM 754 CA ALA A 49 -1.141 5.198 4.429 1.00 35.03 C ATOM 755 C ALA A 49 -1.691 6.409 3.706 1.00 65.54 C ATOM 756 O ALA A 49 -2.484 6.279 2.761 1.00 4.25 O ATOM 757 CB ALA A 49 0.212 4.805 3.873 1.00 14.43 C ATOM 0 H ALA A 49 -2.290 3.795 3.411 1.00 20.12 H new ATOM 0 HA ALA A 49 -1.026 5.475 5.477 1.00 35.03 H new ATOM 0 HB1 ALA A 49 0.890 5.657 3.929 1.00 14.43 H new ATOM 0 HB2 ALA A 49 0.619 3.979 4.456 1.00 14.43 H new ATOM 0 HB3 ALA A 49 0.102 4.496 2.833 1.00 14.43 H new ATOM 763 N ASP A 50 -1.285 7.576 4.161 1.00 52.21 N ATOM 764 CA ASP A 50 -1.740 8.846 3.591 1.00 54.34 C ATOM 765 C ASP A 50 -1.029 9.100 2.258 1.00 52.13 C ATOM 766 O ASP A 50 0.195 9.135 2.208 1.00 52.03 O ATOM 767 CB ASP A 50 -1.425 9.987 4.564 1.00 22.22 C ATOM 768 CG ASP A 50 -1.984 11.320 4.126 1.00 24.04 C ATOM 769 OD1 ASP A 50 -1.333 12.032 3.334 1.00 75.23 O ATOM 770 OD2 ASP A 50 -3.079 11.687 4.588 1.00 13.23 O ATOM 0 H ASP A 50 -0.630 7.681 4.936 1.00 52.21 H new ATOM 0 HA ASP A 50 -2.816 8.799 3.422 1.00 54.34 H new ATOM 0 HB2 ASP A 50 -1.826 9.738 5.546 1.00 22.22 H new ATOM 0 HB3 ASP A 50 -0.344 10.073 4.674 1.00 22.22 H new ATOM 775 N PRO A 51 -1.792 9.302 1.172 1.00 61.20 N ATOM 776 CA PRO A 51 -1.240 9.460 -0.196 1.00 24.34 C ATOM 777 C PRO A 51 -0.398 10.726 -0.380 1.00 33.22 C ATOM 778 O PRO A 51 0.332 10.854 -1.364 1.00 62.21 O ATOM 779 CB PRO A 51 -2.504 9.554 -1.069 1.00 34.10 C ATOM 780 CG PRO A 51 -3.564 10.036 -0.146 1.00 23.34 C ATOM 781 CD PRO A 51 -3.266 9.408 1.177 1.00 21.22 C ATOM 0 HA PRO A 51 -0.565 8.640 -0.442 1.00 24.34 H new ATOM 0 HB2 PRO A 51 -2.360 10.243 -1.901 1.00 34.10 H new ATOM 0 HB3 PRO A 51 -2.762 8.586 -1.498 1.00 34.10 H new ATOM 0 HG2 PRO A 51 -3.555 11.124 -0.074 1.00 23.34 H new ATOM 0 HG3 PRO A 51 -4.553 9.748 -0.502 1.00 23.34 H new ATOM 0 HD2 PRO A 51 -3.623 10.021 2.004 1.00 21.22 H new ATOM 0 HD3 PRO A 51 -3.740 8.432 1.276 1.00 21.22 H new ATOM 789 N GLN A 52 -0.483 11.651 0.558 1.00 11.32 N ATOM 790 CA GLN A 52 0.233 12.896 0.427 1.00 14.12 C ATOM 791 C GLN A 52 1.599 12.793 1.077 1.00 15.20 C ATOM 792 O GLN A 52 2.445 13.674 0.910 1.00 60.43 O ATOM 793 CB GLN A 52 -0.567 14.056 1.024 1.00 2.55 C ATOM 794 CG GLN A 52 -1.962 14.218 0.432 1.00 71.15 C ATOM 795 CD GLN A 52 -1.955 14.440 -1.063 1.00 23.33 C ATOM 796 OE1 GLN A 52 -2.005 13.497 -1.842 1.00 35.12 O ATOM 797 NE2 GLN A 52 -1.893 15.675 -1.473 1.00 24.55 N ATOM 0 H GLN A 52 -1.037 11.561 1.410 1.00 11.32 H new ATOM 0 HA GLN A 52 0.371 13.098 -0.635 1.00 14.12 H new ATOM 0 HB2 GLN A 52 -0.656 13.907 2.100 1.00 2.55 H new ATOM 0 HB3 GLN A 52 -0.011 14.982 0.875 1.00 2.55 H new ATOM 0 HG2 GLN A 52 -2.550 13.329 0.657 1.00 71.15 H new ATOM 0 HG3 GLN A 52 -2.459 15.060 0.915 1.00 71.15 H new ATOM 0 HE21 GLN A 52 -1.853 16.436 -0.795 1.00 24.55 H new ATOM 0 HE22 GLN A 52 -1.885 15.881 -2.472 1.00 24.55 H new ATOM 806 N ALA A 53 1.813 11.719 1.825 1.00 14.11 N ATOM 807 CA ALA A 53 3.088 11.482 2.467 1.00 73.22 C ATOM 808 C ALA A 53 4.147 11.184 1.426 1.00 21.20 C ATOM 809 O ALA A 53 3.940 10.360 0.525 1.00 11.31 O ATOM 810 CB ALA A 53 2.982 10.360 3.478 1.00 22.45 C ATOM 0 H ALA A 53 1.113 10.998 1.999 1.00 14.11 H new ATOM 0 HA ALA A 53 3.381 12.383 3.006 1.00 73.22 H new ATOM 0 HB1 ALA A 53 3.953 10.200 3.947 1.00 22.45 H new ATOM 0 HB2 ALA A 53 2.249 10.625 4.240 1.00 22.45 H new ATOM 0 HB3 ALA A 53 2.667 9.446 2.975 1.00 22.45 H new ATOM 816 N THR A 54 5.272 11.849 1.557 1.00 31.44 N ATOM 817 CA THR A 54 6.368 11.742 0.621 1.00 1.10 C ATOM 818 C THR A 54 6.895 10.305 0.525 1.00 24.14 C ATOM 819 O THR A 54 7.223 9.825 -0.565 1.00 51.51 O ATOM 820 CB THR A 54 7.487 12.722 1.035 1.00 40.21 C ATOM 821 OG1 THR A 54 6.932 14.049 1.057 1.00 32.31 O ATOM 822 CG2 THR A 54 8.667 12.688 0.073 1.00 1.24 C ATOM 0 H THR A 54 5.454 12.490 2.329 1.00 31.44 H new ATOM 0 HA THR A 54 6.007 12.008 -0.373 1.00 1.10 H new ATOM 0 HB THR A 54 7.859 12.428 2.016 1.00 40.21 H new ATOM 0 HG1 THR A 54 7.626 14.689 1.320 1.00 32.31 H new ATOM 0 HG21 THR A 54 9.428 13.394 0.406 1.00 1.24 H new ATOM 0 HG22 THR A 54 9.089 11.683 0.050 1.00 1.24 H new ATOM 0 HG23 THR A 54 8.330 12.963 -0.926 1.00 1.24 H new ATOM 830 N TRP A 55 6.898 9.600 1.645 1.00 30.44 N ATOM 831 CA TRP A 55 7.426 8.236 1.648 1.00 2.30 C ATOM 832 C TRP A 55 6.439 7.300 0.957 1.00 62.24 C ATOM 833 O TRP A 55 6.820 6.268 0.383 1.00 71.32 O ATOM 834 CB TRP A 55 7.720 7.740 3.064 1.00 63.44 C ATOM 835 CG TRP A 55 6.513 7.475 3.885 1.00 12.24 C ATOM 836 CD1 TRP A 55 5.824 8.363 4.616 1.00 73.22 C ATOM 837 CD2 TRP A 55 5.854 6.219 4.043 1.00 61.53 C ATOM 838 NE1 TRP A 55 4.784 7.746 5.250 1.00 71.22 N ATOM 839 CE2 TRP A 55 4.780 6.426 4.904 1.00 20.41 C ATOM 840 CE3 TRP A 55 6.078 4.942 3.535 1.00 22.13 C ATOM 841 CZ2 TRP A 55 3.926 5.410 5.281 1.00 44.35 C ATOM 842 CZ3 TRP A 55 5.226 3.928 3.901 1.00 2.13 C ATOM 843 CH2 TRP A 55 4.160 4.166 4.768 1.00 34.13 C ATOM 0 H TRP A 55 6.552 9.934 2.544 1.00 30.44 H new ATOM 0 HA TRP A 55 8.370 8.242 1.103 1.00 2.30 H new ATOM 0 HB2 TRP A 55 8.309 6.825 3.000 1.00 63.44 H new ATOM 0 HB3 TRP A 55 8.336 8.480 3.574 1.00 63.44 H new ATOM 0 HD1 TRP A 55 6.058 9.415 4.692 1.00 73.22 H new ATOM 0 HE1 TRP A 55 4.120 8.197 5.879 1.00 71.22 H new ATOM 0 HE3 TRP A 55 6.905 4.752 2.867 1.00 22.13 H new ATOM 0 HZ2 TRP A 55 3.103 5.592 5.957 1.00 44.35 H new ATOM 0 HZ3 TRP A 55 5.384 2.933 3.512 1.00 2.13 H new ATOM 0 HH2 TRP A 55 3.506 3.350 5.039 1.00 34.13 H new ATOM 854 N VAL A 56 5.168 7.661 1.031 1.00 42.34 N ATOM 855 CA VAL A 56 4.123 6.919 0.391 1.00 31.45 C ATOM 856 C VAL A 56 4.273 7.061 -1.080 1.00 42.31 C ATOM 857 O VAL A 56 4.285 6.077 -1.790 1.00 75.02 O ATOM 858 CB VAL A 56 2.722 7.375 0.851 1.00 44.34 C ATOM 859 CG1 VAL A 56 1.625 6.761 0.001 1.00 45.33 C ATOM 860 CG2 VAL A 56 2.515 6.995 2.295 1.00 12.01 C ATOM 0 H VAL A 56 4.843 8.482 1.542 1.00 42.34 H new ATOM 0 HA VAL A 56 4.212 5.870 0.674 1.00 31.45 H new ATOM 0 HB VAL A 56 2.668 8.458 0.738 1.00 44.34 H new ATOM 0 HG11 VAL A 56 0.654 7.106 0.356 1.00 45.33 H new ATOM 0 HG12 VAL A 56 1.759 7.061 -1.038 1.00 45.33 H new ATOM 0 HG13 VAL A 56 1.673 5.675 0.074 1.00 45.33 H new ATOM 0 HG21 VAL A 56 1.525 7.318 2.618 1.00 12.01 H new ATOM 0 HG22 VAL A 56 2.597 5.913 2.402 1.00 12.01 H new ATOM 0 HG23 VAL A 56 3.273 7.479 2.911 1.00 12.01 H new ATOM 870 N ARG A 57 4.439 8.295 -1.527 1.00 71.54 N ATOM 871 CA ARG A 57 4.674 8.580 -2.927 1.00 1.01 C ATOM 872 C ARG A 57 5.900 7.847 -3.417 1.00 70.45 C ATOM 873 O ARG A 57 5.925 7.341 -4.523 1.00 52.23 O ATOM 874 CB ARG A 57 4.798 10.070 -3.156 1.00 30.52 C ATOM 875 CG ARG A 57 3.517 10.799 -2.870 1.00 23.25 C ATOM 876 CD ARG A 57 3.656 12.278 -3.100 1.00 64.54 C ATOM 877 NE ARG A 57 2.383 12.974 -2.928 1.00 60.50 N ATOM 878 CZ ARG A 57 2.260 14.276 -2.694 1.00 12.04 C ATOM 879 NH1 ARG A 57 3.344 15.027 -2.486 1.00 15.33 N ATOM 880 NH2 ARG A 57 1.054 14.823 -2.646 1.00 51.22 N ATOM 0 H ARG A 57 4.414 9.122 -0.930 1.00 71.54 H new ATOM 0 HA ARG A 57 3.818 8.226 -3.501 1.00 1.01 H new ATOM 0 HB2 ARG A 57 5.590 10.468 -2.521 1.00 30.52 H new ATOM 0 HB3 ARG A 57 5.095 10.253 -4.189 1.00 30.52 H new ATOM 0 HG2 ARG A 57 2.724 10.405 -3.506 1.00 23.25 H new ATOM 0 HG3 ARG A 57 3.218 10.618 -1.838 1.00 23.25 H new ATOM 0 HD2 ARG A 57 4.391 12.687 -2.406 1.00 64.54 H new ATOM 0 HD3 ARG A 57 4.035 12.456 -4.107 1.00 64.54 H new ATOM 0 HE ARG A 57 1.528 12.421 -2.992 1.00 60.50 H new ATOM 0 HH11 ARG A 57 4.271 14.602 -2.506 1.00 15.33 H new ATOM 0 HH12 ARG A 57 3.245 16.026 -2.307 1.00 15.33 H new ATOM 0 HH21 ARG A 57 0.226 14.245 -2.788 1.00 51.22 H new ATOM 0 HH22 ARG A 57 0.954 15.822 -2.467 1.00 51.22 H new ATOM 894 N ASP A 58 6.895 7.772 -2.568 1.00 61.44 N ATOM 895 CA ASP A 58 8.107 7.021 -2.867 1.00 51.32 C ATOM 896 C ASP A 58 7.841 5.534 -3.097 1.00 34.43 C ATOM 897 O ASP A 58 8.302 4.983 -4.068 1.00 15.13 O ATOM 898 CB ASP A 58 9.168 7.187 -1.763 1.00 44.32 C ATOM 899 CG ASP A 58 10.350 6.230 -1.930 1.00 61.45 C ATOM 900 OD1 ASP A 58 11.220 6.469 -2.801 1.00 43.12 O ATOM 901 OD2 ASP A 58 10.406 5.205 -1.201 1.00 12.10 O ATOM 0 H ASP A 58 6.896 8.224 -1.654 1.00 61.44 H new ATOM 0 HA ASP A 58 8.489 7.443 -3.797 1.00 51.32 H new ATOM 0 HB2 ASP A 58 9.534 8.214 -1.768 1.00 44.32 H new ATOM 0 HB3 ASP A 58 8.704 7.019 -0.791 1.00 44.32 H new ATOM 906 N CYS A 59 7.054 4.902 -2.241 1.00 3.14 N ATOM 907 CA CYS A 59 6.897 3.449 -2.346 1.00 0.02 C ATOM 908 C CYS A 59 5.759 3.070 -3.251 1.00 51.10 C ATOM 909 O CYS A 59 5.839 2.067 -3.979 1.00 20.34 O ATOM 910 CB CYS A 59 6.698 2.838 -1.003 1.00 2.20 C ATOM 911 SG CYS A 59 6.963 1.035 -0.961 1.00 42.34 S ATOM 0 H CYS A 59 6.528 5.347 -1.489 1.00 3.14 H new ATOM 0 HA CYS A 59 7.818 3.062 -2.782 1.00 0.02 H new ATOM 0 HB2 CYS A 59 7.379 3.311 -0.296 1.00 2.20 H new ATOM 0 HB3 CYS A 59 5.685 3.054 -0.664 1.00 2.20 H new ATOM 916 N VAL A 60 4.704 3.888 -3.246 1.00 14.12 N ATOM 917 CA VAL A 60 3.553 3.664 -4.096 1.00 22.04 C ATOM 918 C VAL A 60 4.048 3.770 -5.540 1.00 32.24 C ATOM 919 O VAL A 60 3.503 3.179 -6.446 1.00 73.51 O ATOM 920 CB VAL A 60 2.379 4.703 -3.826 1.00 45.24 C ATOM 921 CG1 VAL A 60 2.626 6.026 -4.487 1.00 25.21 C ATOM 922 CG2 VAL A 60 1.056 4.167 -4.267 1.00 50.30 C ATOM 0 H VAL A 60 4.632 4.716 -2.654 1.00 14.12 H new ATOM 0 HA VAL A 60 3.127 2.683 -3.887 1.00 22.04 H new ATOM 0 HB VAL A 60 2.359 4.857 -2.747 1.00 45.24 H new ATOM 0 HG11 VAL A 60 1.797 6.700 -4.273 1.00 25.21 H new ATOM 0 HG12 VAL A 60 3.552 6.456 -4.105 1.00 25.21 H new ATOM 0 HG13 VAL A 60 2.710 5.884 -5.565 1.00 25.21 H new ATOM 0 HG21 VAL A 60 0.279 4.905 -4.066 1.00 50.30 H new ATOM 0 HG22 VAL A 60 1.087 3.955 -5.336 1.00 50.30 H new ATOM 0 HG23 VAL A 60 0.835 3.250 -3.721 1.00 50.30 H new ATOM 932 N ARG A 61 5.128 4.522 -5.712 1.00 54.54 N ATOM 933 CA ARG A 61 5.694 4.706 -7.029 1.00 32.21 C ATOM 934 C ARG A 61 6.865 3.801 -7.271 1.00 54.52 C ATOM 935 O ARG A 61 7.135 3.452 -8.397 1.00 11.34 O ATOM 936 CB ARG A 61 6.036 6.151 -7.354 1.00 14.14 C ATOM 937 CG ARG A 61 4.821 7.041 -7.453 1.00 74.13 C ATOM 938 CD ARG A 61 5.183 8.436 -7.889 1.00 20.13 C ATOM 939 NE ARG A 61 3.986 9.255 -8.046 1.00 73.41 N ATOM 940 CZ ARG A 61 3.541 9.739 -9.213 1.00 34.33 C ATOM 941 NH1 ARG A 61 4.258 9.582 -10.323 1.00 50.22 N ATOM 942 NH2 ARG A 61 2.390 10.402 -9.251 1.00 3.04 N ATOM 0 H ARG A 61 5.620 5.007 -4.961 1.00 54.54 H new ATOM 0 HA ARG A 61 4.901 4.422 -7.721 1.00 32.21 H new ATOM 0 HB2 ARG A 61 6.703 6.542 -6.585 1.00 14.14 H new ATOM 0 HB3 ARG A 61 6.582 6.185 -8.297 1.00 14.14 H new ATOM 0 HG2 ARG A 61 4.113 6.611 -8.161 1.00 74.13 H new ATOM 0 HG3 ARG A 61 4.320 7.081 -6.486 1.00 74.13 H new ATOM 0 HD2 ARG A 61 5.847 8.891 -7.154 1.00 20.13 H new ATOM 0 HD3 ARG A 61 5.729 8.397 -8.831 1.00 20.13 H new ATOM 0 HE ARG A 61 3.449 9.475 -7.207 1.00 73.41 H new ATOM 0 HH11 ARG A 61 5.151 9.091 -10.288 1.00 50.22 H new ATOM 0 HH12 ARG A 61 3.914 9.953 -11.209 1.00 50.22 H new ATOM 0 HH21 ARG A 61 1.852 10.539 -8.395 1.00 3.04 H new ATOM 0 HH22 ARG A 61 2.044 10.774 -10.136 1.00 3.04 H new ATOM 956 N SER A 62 7.565 3.433 -6.213 1.00 34.42 N ATOM 957 CA SER A 62 8.687 2.525 -6.322 1.00 73.33 C ATOM 958 C SER A 62 8.208 1.203 -6.914 1.00 43.42 C ATOM 959 O SER A 62 8.759 0.727 -7.882 1.00 65.25 O ATOM 960 CB SER A 62 9.331 2.296 -4.939 1.00 33.21 C ATOM 961 OG SER A 62 10.543 1.562 -5.032 1.00 44.20 O ATOM 0 H SER A 62 7.373 3.753 -5.264 1.00 34.42 H new ATOM 0 HA SER A 62 9.441 2.960 -6.978 1.00 73.33 H new ATOM 0 HB2 SER A 62 9.525 3.258 -4.466 1.00 33.21 H new ATOM 0 HB3 SER A 62 8.631 1.761 -4.297 1.00 33.21 H new ATOM 0 HG SER A 62 10.921 1.439 -4.136 1.00 44.20 H new ATOM 967 N MET A 63 7.131 0.655 -6.352 1.00 23.35 N ATOM 968 CA MET A 63 6.575 -0.626 -6.818 1.00 1.42 C ATOM 969 C MET A 63 6.102 -0.498 -8.271 1.00 34.43 C ATOM 970 O MET A 63 6.326 -1.390 -9.095 1.00 64.24 O ATOM 971 CB MET A 63 5.411 -1.067 -5.920 1.00 40.41 C ATOM 972 CG MET A 63 5.778 -1.221 -4.445 1.00 2.40 C ATOM 973 SD MET A 63 7.050 -2.469 -4.143 1.00 34.30 S ATOM 974 CE MET A 63 6.198 -3.957 -4.669 1.00 30.11 C ATOM 0 H MET A 63 6.623 1.074 -5.573 1.00 23.35 H new ATOM 0 HA MET A 63 7.358 -1.383 -6.766 1.00 1.42 H new ATOM 0 HB2 MET A 63 4.604 -0.339 -6.007 1.00 40.41 H new ATOM 0 HB3 MET A 63 5.024 -2.018 -6.287 1.00 40.41 H new ATOM 0 HG2 MET A 63 6.125 -0.261 -4.063 1.00 2.40 H new ATOM 0 HG3 MET A 63 4.882 -1.483 -3.882 1.00 2.40 H new ATOM 0 HE1 MET A 63 6.639 -4.823 -4.175 1.00 30.11 H new ATOM 0 HE2 MET A 63 5.143 -3.885 -4.403 1.00 30.11 H new ATOM 0 HE3 MET A 63 6.293 -4.068 -5.749 1.00 30.11 H new ATOM 984 N ASP A 64 5.477 0.629 -8.559 1.00 35.31 N ATOM 985 CA ASP A 64 4.993 0.993 -9.904 1.00 4.05 C ATOM 986 C ASP A 64 6.158 1.028 -10.906 1.00 2.43 C ATOM 987 O ASP A 64 6.068 0.503 -12.030 1.00 54.14 O ATOM 988 CB ASP A 64 4.336 2.381 -9.805 1.00 73.31 C ATOM 989 CG ASP A 64 3.904 2.979 -11.123 1.00 75.43 C ATOM 990 OD1 ASP A 64 2.752 2.772 -11.533 1.00 13.53 O ATOM 991 OD2 ASP A 64 4.703 3.709 -11.739 1.00 30.03 O ATOM 0 H ASP A 64 5.281 1.342 -7.857 1.00 35.31 H new ATOM 0 HA ASP A 64 4.274 0.254 -10.258 1.00 4.05 H new ATOM 0 HB2 ASP A 64 3.465 2.308 -9.154 1.00 73.31 H new ATOM 0 HB3 ASP A 64 5.037 3.065 -9.325 1.00 73.31 H new ATOM 996 N ARG A 65 7.237 1.635 -10.459 1.00 74.53 N ATOM 997 CA ARG A 65 8.469 1.814 -11.208 1.00 15.31 C ATOM 998 C ARG A 65 9.163 0.474 -11.439 1.00 63.42 C ATOM 999 O ARG A 65 9.746 0.233 -12.510 1.00 45.31 O ATOM 1000 CB ARG A 65 9.366 2.726 -10.385 1.00 52.54 C ATOM 1001 CG ARG A 65 10.664 3.168 -11.015 1.00 70.43 C ATOM 1002 CD ARG A 65 11.395 4.076 -10.051 1.00 72.53 C ATOM 1003 NE ARG A 65 10.513 5.162 -9.595 1.00 54.14 N ATOM 1004 CZ ARG A 65 10.565 5.750 -8.395 1.00 42.31 C ATOM 1005 NH1 ARG A 65 11.541 5.453 -7.544 1.00 14.13 N ATOM 1006 NH2 ARG A 65 9.645 6.647 -8.064 1.00 43.43 N ATOM 0 H ARG A 65 7.284 2.036 -9.522 1.00 74.53 H new ATOM 0 HA ARG A 65 8.257 2.247 -12.185 1.00 15.31 H new ATOM 0 HB2 ARG A 65 8.795 3.618 -10.127 1.00 52.54 H new ATOM 0 HB3 ARG A 65 9.600 2.216 -9.451 1.00 52.54 H new ATOM 0 HG2 ARG A 65 11.280 2.301 -11.256 1.00 70.43 H new ATOM 0 HG3 ARG A 65 10.469 3.691 -11.951 1.00 70.43 H new ATOM 0 HD2 ARG A 65 11.745 3.500 -9.194 1.00 72.53 H new ATOM 0 HD3 ARG A 65 12.277 4.495 -10.535 1.00 72.53 H new ATOM 0 HE ARG A 65 9.803 5.494 -10.248 1.00 54.14 H new ATOM 0 HH11 ARG A 65 12.256 4.773 -7.805 1.00 14.13 H new ATOM 0 HH12 ARG A 65 11.576 5.905 -6.630 1.00 14.13 H new ATOM 0 HH21 ARG A 65 8.904 6.884 -8.723 1.00 43.43 H new ATOM 0 HH22 ARG A 65 9.679 7.099 -7.150 1.00 43.43 H new ATOM 1020 N LYS A 66 9.111 -0.380 -10.435 1.00 62.20 N ATOM 1021 CA LYS A 66 9.726 -1.691 -10.497 1.00 42.31 C ATOM 1022 C LYS A 66 8.967 -2.593 -11.453 1.00 32.51 C ATOM 1023 O LYS A 66 9.550 -3.126 -12.400 1.00 74.52 O ATOM 1024 CB LYS A 66 9.796 -2.325 -9.096 1.00 21.23 C ATOM 1025 CG LYS A 66 10.650 -1.535 -8.110 1.00 15.43 C ATOM 1026 CD LYS A 66 10.600 -2.108 -6.695 1.00 2.02 C ATOM 1027 CE LYS A 66 11.169 -3.513 -6.616 1.00 44.21 C ATOM 1028 NZ LYS A 66 11.124 -4.041 -5.233 1.00 64.22 N ATOM 0 H LYS A 66 8.640 -0.183 -9.552 1.00 62.20 H new ATOM 0 HA LYS A 66 10.743 -1.573 -10.871 1.00 42.31 H new ATOM 0 HB2 LYS A 66 8.786 -2.416 -8.697 1.00 21.23 H new ATOM 0 HB3 LYS A 66 10.197 -3.335 -9.183 1.00 21.23 H new ATOM 0 HG2 LYS A 66 11.683 -1.525 -8.457 1.00 15.43 H new ATOM 0 HG3 LYS A 66 10.311 -0.499 -8.090 1.00 15.43 H new ATOM 0 HD2 LYS A 66 11.157 -1.456 -6.023 1.00 2.02 H new ATOM 0 HD3 LYS A 66 9.567 -2.118 -6.347 1.00 2.02 H new ATOM 0 HE2 LYS A 66 10.606 -4.172 -7.277 1.00 44.21 H new ATOM 0 HE3 LYS A 66 12.199 -3.510 -6.972 1.00 44.21 H new ATOM 0 HZ1 LYS A 66 11.520 -5.002 -5.215 1.00 64.22 H new ATOM 0 HZ2 LYS A 66 11.682 -3.425 -4.608 1.00 64.22 H new ATOM 0 HZ3 LYS A 66 10.138 -4.067 -4.903 1.00 64.22 H new ATOM 1042 N SER A 67 7.672 -2.760 -11.231 1.00 45.31 N ATOM 1043 CA SER A 67 6.865 -3.621 -12.079 1.00 23.31 C ATOM 1044 C SER A 67 5.374 -3.240 -12.074 1.00 72.23 C ATOM 1045 O SER A 67 4.618 -3.647 -11.176 1.00 25.14 O ATOM 1046 CB SER A 67 7.049 -5.111 -11.708 1.00 50.41 C ATOM 1047 OG SER A 67 8.404 -5.533 -11.896 1.00 51.35 O ATOM 0 H SER A 67 7.159 -2.311 -10.472 1.00 45.31 H new ATOM 0 HA SER A 67 7.227 -3.469 -13.096 1.00 23.31 H new ATOM 0 HB2 SER A 67 6.759 -5.267 -10.669 1.00 50.41 H new ATOM 0 HB3 SER A 67 6.387 -5.724 -12.320 1.00 50.41 H new ATOM 0 HG SER A 67 8.936 -4.783 -12.234 1.00 51.35 H new ATOM 1053 N ASN A 68 4.976 -2.431 -13.055 1.00 14.55 N ATOM 1054 CA ASN A 68 3.566 -2.071 -13.272 1.00 11.11 C ATOM 1055 C ASN A 68 3.428 -1.299 -14.558 1.00 74.42 C ATOM 1056 O ASN A 68 2.656 -1.666 -15.448 1.00 44.41 O ATOM 1057 CB ASN A 68 2.958 -1.245 -12.128 1.00 1.33 C ATOM 1058 CG ASN A 68 1.458 -1.009 -12.340 1.00 12.24 C ATOM 1059 OD1 ASN A 68 1.043 -0.047 -12.983 1.00 33.03 O ATOM 1060 ND2 ASN A 68 0.645 -1.879 -11.799 1.00 22.02 N ATOM 0 H ASN A 68 5.617 -2.004 -13.724 1.00 14.55 H new ATOM 0 HA ASN A 68 3.016 -3.011 -13.317 1.00 11.11 H new ATOM 0 HB2 ASN A 68 3.116 -1.762 -11.181 1.00 1.33 H new ATOM 0 HB3 ASN A 68 3.472 -0.286 -12.057 1.00 1.33 H new ATOM 0 HD21 ASN A 68 -0.364 -1.769 -11.905 1.00 22.02 H new ATOM 0 HD22 ASN A 68 1.019 -2.667 -11.271 1.00 22.02 H new ATOM 1067 N THR A 69 4.178 -0.242 -14.669 1.00 51.33 N ATOM 1068 CA THR A 69 4.125 0.589 -15.837 1.00 13.10 C ATOM 1069 C THR A 69 5.424 0.481 -16.632 1.00 43.12 C ATOM 1070 O THR A 69 6.420 -0.088 -16.148 1.00 34.31 O ATOM 1071 CB THR A 69 3.855 2.060 -15.449 1.00 4.03 C ATOM 1072 OG1 THR A 69 3.673 2.872 -16.625 1.00 61.33 O ATOM 1073 CG2 THR A 69 4.999 2.598 -14.651 1.00 12.10 C ATOM 0 H THR A 69 4.840 0.068 -13.957 1.00 51.33 H new ATOM 0 HA THR A 69 3.304 0.241 -16.464 1.00 13.10 H new ATOM 0 HB THR A 69 2.944 2.092 -14.851 1.00 4.03 H new ATOM 0 HG1 THR A 69 3.501 3.799 -16.359 1.00 61.33 H new ATOM 0 HG21 THR A 69 4.799 3.635 -14.382 1.00 12.10 H new ATOM 0 HG22 THR A 69 5.121 2.005 -13.744 1.00 12.10 H new ATOM 0 HG23 THR A 69 5.912 2.546 -15.244 1.00 12.10 H new ATOM 1081 N ARG A 70 5.409 1.003 -17.835 1.00 44.34 N ATOM 1082 CA ARG A 70 6.576 1.053 -18.669 1.00 52.44 C ATOM 1083 C ARG A 70 7.358 2.295 -18.321 1.00 53.23 C ATOM 1084 O ARG A 70 6.841 3.411 -18.435 1.00 2.20 O ATOM 1085 CB ARG A 70 6.196 1.098 -20.145 1.00 62.23 C ATOM 1086 CG ARG A 70 5.476 -0.125 -20.659 1.00 54.42 C ATOM 1087 CD ARG A 70 5.138 0.052 -22.117 1.00 5.43 C ATOM 1088 NE ARG A 70 4.477 -1.110 -22.693 1.00 41.31 N ATOM 1089 CZ ARG A 70 4.364 -1.335 -24.002 1.00 22.21 C ATOM 1090 NH1 ARG A 70 4.888 -0.477 -24.876 1.00 22.10 N ATOM 1091 NH2 ARG A 70 3.735 -2.416 -24.434 1.00 25.42 N ATOM 0 H ARG A 70 4.576 1.408 -18.263 1.00 44.34 H new ATOM 0 HA ARG A 70 7.172 0.157 -18.498 1.00 52.44 H new ATOM 0 HB2 ARG A 70 5.565 1.970 -20.315 1.00 62.23 H new ATOM 0 HB3 ARG A 70 7.102 1.241 -20.733 1.00 62.23 H new ATOM 0 HG2 ARG A 70 6.101 -1.008 -20.527 1.00 54.42 H new ATOM 0 HG3 ARG A 70 4.565 -0.290 -20.083 1.00 54.42 H new ATOM 0 HD2 ARG A 70 4.494 0.924 -22.232 1.00 5.43 H new ATOM 0 HD3 ARG A 70 6.052 0.256 -22.674 1.00 5.43 H new ATOM 0 HE ARG A 70 4.075 -1.796 -22.054 1.00 41.31 H new ATOM 0 HH11 ARG A 70 5.377 0.354 -24.544 1.00 22.10 H new ATOM 0 HH12 ARG A 70 4.800 -0.651 -25.877 1.00 22.10 H new ATOM 0 HH21 ARG A 70 3.337 -3.076 -23.766 1.00 25.42 H new ATOM 0 HH22 ARG A 70 3.648 -2.589 -25.435 1.00 25.42 H new ATOM 1105 N ASN A 71 8.569 2.111 -17.889 1.00 73.14 N ATOM 1106 CA ASN A 71 9.424 3.216 -17.505 1.00 2.24 C ATOM 1107 C ASN A 71 10.829 2.703 -17.424 1.00 65.42 C ATOM 1108 O ASN A 71 11.069 1.547 -17.798 1.00 34.21 O ATOM 1109 CB ASN A 71 8.977 3.855 -16.144 1.00 23.32 C ATOM 1110 CG ASN A 71 9.163 2.993 -14.872 1.00 73.41 C ATOM 1111 OD1 ASN A 71 9.366 3.540 -13.794 1.00 44.05 O ATOM 1112 ND2 ASN A 71 9.081 1.679 -14.973 1.00 32.52 N ATOM 0 H ASN A 71 9.002 1.193 -17.789 1.00 73.14 H new ATOM 0 HA ASN A 71 9.353 4.008 -18.250 1.00 2.24 H new ATOM 0 HB2 ASN A 71 9.530 4.785 -16.008 1.00 23.32 H new ATOM 0 HB3 ASN A 71 7.923 4.120 -16.223 1.00 23.32 H new ATOM 0 HD21 ASN A 71 9.187 1.096 -14.143 1.00 32.52 H new ATOM 0 HD22 ASN A 71 8.911 1.247 -15.881 1.00 32.52 H new ATOM 1119 N ASN A 72 11.758 3.524 -16.979 1.00 34.44 N ATOM 1120 CA ASN A 72 13.135 3.072 -16.825 1.00 20.32 C ATOM 1121 C ASN A 72 13.233 2.005 -15.748 1.00 34.04 C ATOM 1122 O ASN A 72 13.185 2.296 -14.543 1.00 51.24 O ATOM 1123 CB ASN A 72 14.119 4.231 -16.541 1.00 13.22 C ATOM 1124 CG ASN A 72 14.318 5.178 -17.723 1.00 15.42 C ATOM 1125 OD1 ASN A 72 13.420 5.388 -18.548 1.00 71.42 O ATOM 1126 ND2 ASN A 72 15.489 5.761 -17.815 1.00 23.34 N ATOM 0 H ASN A 72 11.593 4.497 -16.719 1.00 34.44 H new ATOM 0 HA ASN A 72 13.431 2.638 -17.780 1.00 20.32 H new ATOM 0 HB2 ASN A 72 13.755 4.803 -15.687 1.00 13.22 H new ATOM 0 HB3 ASN A 72 15.085 3.813 -16.256 1.00 13.22 H new ATOM 0 HD21 ASN A 72 15.678 6.407 -18.581 1.00 23.34 H new ATOM 0 HD22 ASN A 72 16.210 5.569 -17.120 1.00 23.34 H new ATOM 1133 N MET A 73 13.313 0.774 -16.188 1.00 21.11 N ATOM 1134 CA MET A 73 13.435 -0.349 -15.304 1.00 55.11 C ATOM 1135 C MET A 73 14.877 -0.469 -14.872 1.00 24.53 C ATOM 1136 O MET A 73 15.176 -0.830 -13.725 1.00 41.04 O ATOM 1137 CB MET A 73 12.956 -1.630 -15.987 1.00 11.13 C ATOM 1138 CG MET A 73 12.961 -2.850 -15.083 1.00 35.44 C ATOM 1139 SD MET A 73 12.360 -4.329 -15.916 1.00 11.21 S ATOM 1140 CE MET A 73 12.465 -5.514 -14.575 1.00 55.14 C ATOM 0 H MET A 73 13.295 0.526 -17.177 1.00 21.11 H new ATOM 0 HA MET A 73 12.807 -0.197 -14.426 1.00 55.11 H new ATOM 0 HB2 MET A 73 11.945 -1.473 -16.363 1.00 11.13 H new ATOM 0 HB3 MET A 73 13.590 -1.828 -16.851 1.00 11.13 H new ATOM 0 HG2 MET A 73 13.974 -3.027 -14.722 1.00 35.44 H new ATOM 0 HG3 MET A 73 12.341 -2.652 -14.208 1.00 35.44 H new ATOM 0 HE1 MET A 73 12.127 -6.490 -14.924 1.00 55.14 H new ATOM 0 HE2 MET A 73 13.498 -5.588 -14.235 1.00 55.14 H new ATOM 0 HE3 MET A 73 11.834 -5.186 -13.749 1.00 55.14 H new ATOM 1150 N ILE A 74 15.769 -0.154 -15.789 1.00 21.22 N ATOM 1151 CA ILE A 74 17.165 -0.120 -15.498 1.00 74.23 C ATOM 1152 C ILE A 74 17.606 1.317 -15.324 1.00 3.14 C ATOM 1153 O ILE A 74 17.154 2.218 -16.053 1.00 42.53 O ATOM 1154 CB ILE A 74 18.038 -0.830 -16.570 1.00 24.12 C ATOM 1155 CG1 ILE A 74 17.826 -0.218 -17.967 1.00 54.33 C ATOM 1156 CG2 ILE A 74 17.768 -2.329 -16.577 1.00 51.55 C ATOM 1157 CD1 ILE A 74 18.687 -0.835 -19.053 1.00 35.10 C ATOM 0 H ILE A 74 15.534 0.084 -16.753 1.00 21.22 H new ATOM 0 HA ILE A 74 17.314 -0.677 -14.573 1.00 74.23 H new ATOM 0 HB ILE A 74 19.084 -0.675 -16.305 1.00 24.12 H new ATOM 0 HG12 ILE A 74 16.778 -0.327 -18.244 1.00 54.33 H new ATOM 0 HG13 ILE A 74 18.033 0.851 -17.918 1.00 54.33 H new ATOM 0 HG21 ILE A 74 18.389 -2.807 -17.334 1.00 51.55 H new ATOM 0 HG22 ILE A 74 18.004 -2.746 -15.598 1.00 51.55 H new ATOM 0 HG23 ILE A 74 16.717 -2.508 -16.804 1.00 51.55 H new ATOM 0 HD11 ILE A 74 18.477 -0.348 -20.005 1.00 35.10 H new ATOM 0 HD12 ILE A 74 19.739 -0.702 -18.802 1.00 35.10 H new ATOM 0 HD13 ILE A 74 18.465 -1.899 -19.133 1.00 35.10 H new ATOM 1169 N GLN A 75 18.438 1.534 -14.363 1.00 53.42 N ATOM 1170 CA GLN A 75 18.944 2.841 -14.046 1.00 13.52 C ATOM 1171 C GLN A 75 20.437 2.734 -13.840 1.00 2.34 C ATOM 1172 O GLN A 75 20.856 2.120 -12.840 1.00 36.90 O ATOM 1173 CB GLN A 75 18.262 3.397 -12.786 1.00 53.01 C ATOM 1174 CG GLN A 75 18.667 4.824 -12.437 1.00 45.35 C ATOM 1175 CD GLN A 75 18.000 5.326 -11.171 1.00 51.12 C ATOM 1176 OE1 GLN A 75 18.532 5.174 -10.068 1.00 54.04 O ATOM 1177 NE2 GLN A 75 16.834 5.915 -11.309 1.00 22.11 N ATOM 0 H GLN A 75 18.798 0.796 -13.758 1.00 53.42 H new ATOM 0 HA GLN A 75 18.730 3.529 -14.864 1.00 13.52 H new ATOM 0 HB2 GLN A 75 17.181 3.361 -12.925 1.00 53.01 H new ATOM 0 HB3 GLN A 75 18.497 2.748 -11.943 1.00 53.01 H new ATOM 0 HG2 GLN A 75 19.749 4.871 -12.316 1.00 45.35 H new ATOM 0 HG3 GLN A 75 18.409 5.484 -13.265 1.00 45.35 H new ATOM 0 HE21 GLN A 75 16.424 6.023 -12.237 1.00 22.11 H new ATOM 0 HE22 GLN A 75 16.339 6.264 -10.488 1.00 22.11 H new TER 1186 GLN A 75