USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 969 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 108 THR OG1 : rot -29:sc= 0.932 USER MOD Set 1.2: A 109 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 83 TYR OH : rot 130:sc= 0.625 USER MOD Set 2.2: A 85 GLN : amide:sc= 0.692 X(o=1.3,f=1) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 54:sc= 0.451 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 176:sc= 0.282 (180deg=0.0939) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 168:sc= -0.03 (180deg=-0.191) USER MOD Single : A 25 ASN : amide:sc= 0.993 K(o=0.99,f=-0.15) USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.105) USER MOD Single : A 31 THR OG1 : rot 29:sc= 0.491 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -82:sc= 0.655 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 61 LYS NZ :NH3+ -165:sc= 2.5 (180deg=2.39) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 143:sc= 1.26 (180deg=1.15) USER MOD Single : A 73 SER OG : rot 69:sc= 0.515 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.537 X(o=-0.54,f=-0.49) USER MOD Single : A 88 ASN : amide:sc= -0.365 K(o=-0.37,f=-2!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 143:sc= -0.097 (180deg=-0.769!) USER MOD Single : A 115 LYS NZ :NH3+ 170:sc= 0.686 (180deg=0.629) USER MOD Single : A 116 SER OG : rot 77:sc= 0.844 USER MOD ----------------------------------------------------------------- ATOM 34 N ILE A 3 2.626 3.125 6.810 1.00 4.52 N ATOM 35 CA ILE A 3 1.923 3.315 5.537 1.00 2.10 C ATOM 36 C ILE A 3 2.108 2.096 4.616 1.00 61.14 C ATOM 37 O ILE A 3 3.230 1.637 4.390 1.00 43.42 O ATOM 38 CB ILE A 3 2.401 4.606 4.820 1.00 23.40 C ATOM 39 CG1 ILE A 3 1.745 4.740 3.429 1.00 75.04 C ATOM 40 CG2 ILE A 3 3.926 4.633 4.716 1.00 62.44 C ATOM 41 CD1 ILE A 3 2.118 6.013 2.694 1.00 54.11 C ATOM 0 HA ILE A 3 0.862 3.420 5.762 1.00 2.10 H new ATOM 0 HB ILE A 3 2.089 5.463 5.417 1.00 23.40 H new ATOM 0 HG12 ILE A 3 2.031 3.883 2.819 1.00 75.04 H new ATOM 0 HG13 ILE A 3 0.662 4.702 3.544 1.00 75.04 H new ATOM 0 HG21 ILE A 3 4.240 5.546 4.210 1.00 62.44 H new ATOM 0 HG22 ILE A 3 4.359 4.604 5.716 1.00 62.44 H new ATOM 0 HG23 ILE A 3 4.267 3.768 4.148 1.00 62.44 H new ATOM 0 HD11 ILE A 3 1.618 6.034 1.726 1.00 54.11 H new ATOM 0 HD12 ILE A 3 1.807 6.877 3.282 1.00 54.11 H new ATOM 0 HD13 ILE A 3 3.197 6.045 2.546 1.00 54.11 H new ATOM 53 N VAL A 4 0.996 1.572 4.098 1.00 42.41 N ATOM 54 CA VAL A 4 1.016 0.356 3.273 1.00 0.14 C ATOM 55 C VAL A 4 0.426 0.608 1.875 1.00 42.12 C ATOM 56 O VAL A 4 -0.665 1.161 1.738 1.00 61.41 O ATOM 57 CB VAL A 4 0.228 -0.791 3.960 1.00 63.43 C ATOM 58 CG1 VAL A 4 0.258 -2.060 3.110 1.00 61.40 C ATOM 59 CG2 VAL A 4 0.775 -1.058 5.364 1.00 60.43 C ATOM 0 H VAL A 4 0.067 1.969 4.234 1.00 42.41 H new ATOM 0 HA VAL A 4 2.061 0.065 3.163 1.00 0.14 H new ATOM 0 HB VAL A 4 -0.812 -0.478 4.056 1.00 63.43 H new ATOM 0 HG11 VAL A 4 -0.301 -2.849 3.614 1.00 61.40 H new ATOM 0 HG12 VAL A 4 -0.194 -1.858 2.139 1.00 61.40 H new ATOM 0 HG13 VAL A 4 1.291 -2.380 2.970 1.00 61.40 H new ATOM 0 HG21 VAL A 4 0.208 -1.866 5.828 1.00 60.43 H new ATOM 0 HG22 VAL A 4 1.825 -1.343 5.297 1.00 60.43 H new ATOM 0 HG23 VAL A 4 0.682 -0.156 5.968 1.00 60.43 H new ATOM 69 N ILE A 5 1.154 0.197 0.839 1.00 32.32 N ATOM 70 CA ILE A 5 0.699 0.360 -0.550 1.00 21.40 C ATOM 71 C ILE A 5 0.372 -0.999 -1.197 1.00 2.54 C ATOM 72 O ILE A 5 1.262 -1.810 -1.437 1.00 44.55 O ATOM 73 CB ILE A 5 1.769 1.083 -1.408 1.00 22.33 C ATOM 74 CG1 ILE A 5 2.183 2.409 -0.747 1.00 61.50 C ATOM 75 CG2 ILE A 5 1.246 1.326 -2.826 1.00 73.40 C ATOM 76 CD1 ILE A 5 3.332 3.102 -1.445 1.00 44.12 C ATOM 0 H ILE A 5 2.065 -0.253 0.930 1.00 32.32 H new ATOM 0 HA ILE A 5 -0.206 0.966 -0.517 1.00 21.40 H new ATOM 0 HB ILE A 5 2.649 0.443 -1.473 1.00 22.33 H new ATOM 0 HG12 ILE A 5 1.324 3.079 -0.728 1.00 61.50 H new ATOM 0 HG13 ILE A 5 2.461 2.217 0.289 1.00 61.50 H new ATOM 0 HG21 ILE A 5 2.010 1.834 -3.414 1.00 73.40 H new ATOM 0 HG22 ILE A 5 1.004 0.371 -3.293 1.00 73.40 H new ATOM 0 HG23 ILE A 5 0.350 1.946 -2.782 1.00 73.40 H new ATOM 0 HD11 ILE A 5 3.568 4.029 -0.923 1.00 44.12 H new ATOM 0 HD12 ILE A 5 4.206 2.451 -1.441 1.00 44.12 H new ATOM 0 HD13 ILE A 5 3.051 3.326 -2.474 1.00 44.12 H new ATOM 88 N VAL A 6 -0.909 -1.243 -1.466 1.00 63.20 N ATOM 89 CA VAL A 6 -1.355 -2.497 -2.093 1.00 32.22 C ATOM 90 C VAL A 6 -1.402 -2.369 -3.631 1.00 5.33 C ATOM 91 O VAL A 6 -2.272 -1.698 -4.181 1.00 2.41 O ATOM 92 CB VAL A 6 -2.754 -2.909 -1.562 1.00 34.15 C ATOM 93 CG1 VAL A 6 -3.203 -4.235 -2.173 1.00 53.44 C ATOM 94 CG2 VAL A 6 -2.747 -2.985 -0.034 1.00 34.22 C ATOM 0 H VAL A 6 -1.664 -0.589 -1.260 1.00 63.20 H new ATOM 0 HA VAL A 6 -0.631 -3.268 -1.831 1.00 32.22 H new ATOM 0 HB VAL A 6 -3.471 -2.145 -1.863 1.00 34.15 H new ATOM 0 HG11 VAL A 6 -4.186 -4.500 -1.784 1.00 53.44 H new ATOM 0 HG12 VAL A 6 -3.256 -4.137 -3.257 1.00 53.44 H new ATOM 0 HG13 VAL A 6 -2.488 -5.016 -1.914 1.00 53.44 H new ATOM 0 HG21 VAL A 6 -3.736 -3.275 0.320 1.00 34.22 H new ATOM 0 HG22 VAL A 6 -2.014 -3.724 0.290 1.00 34.22 H new ATOM 0 HG23 VAL A 6 -2.486 -2.010 0.378 1.00 34.22 H new ATOM 104 N VAL A 7 -0.462 -3.018 -4.318 1.00 4.32 N ATOM 105 CA VAL A 7 -0.343 -2.909 -5.781 1.00 74.21 C ATOM 106 C VAL A 7 -0.858 -4.166 -6.504 1.00 74.14 C ATOM 107 O VAL A 7 -0.216 -5.216 -6.476 1.00 65.10 O ATOM 108 CB VAL A 7 1.133 -2.656 -6.196 1.00 73.31 C ATOM 109 CG1 VAL A 7 1.294 -2.645 -7.718 1.00 71.31 C ATOM 110 CG2 VAL A 7 1.643 -1.350 -5.592 1.00 42.10 C ATOM 0 H VAL A 7 0.233 -3.628 -3.887 1.00 4.32 H new ATOM 0 HA VAL A 7 -0.963 -2.064 -6.079 1.00 74.21 H new ATOM 0 HB VAL A 7 1.733 -3.478 -5.806 1.00 73.31 H new ATOM 0 HG11 VAL A 7 2.339 -2.465 -7.972 1.00 71.31 H new ATOM 0 HG12 VAL A 7 0.982 -3.607 -8.124 1.00 71.31 H new ATOM 0 HG13 VAL A 7 0.676 -1.854 -8.144 1.00 71.31 H new ATOM 0 HG21 VAL A 7 2.678 -1.190 -5.893 1.00 42.10 H new ATOM 0 HG22 VAL A 7 1.029 -0.521 -5.946 1.00 42.10 H new ATOM 0 HG23 VAL A 7 1.586 -1.405 -4.505 1.00 42.10 H new ATOM 120 N PHE A 8 -2.022 -4.054 -7.147 1.00 12.12 N ATOM 121 CA PHE A 8 -2.561 -5.150 -7.965 1.00 35.34 C ATOM 122 C PHE A 8 -1.814 -5.266 -9.305 1.00 33.32 C ATOM 123 O PHE A 8 -2.257 -4.735 -10.325 1.00 71.51 O ATOM 124 CB PHE A 8 -4.065 -4.960 -8.222 1.00 21.51 C ATOM 125 CG PHE A 8 -4.941 -5.222 -7.017 1.00 40.42 C ATOM 126 CD1 PHE A 8 -5.173 -4.230 -6.074 1.00 23.05 C ATOM 127 CD2 PHE A 8 -5.538 -6.465 -6.834 1.00 13.44 C ATOM 128 CE1 PHE A 8 -5.980 -4.472 -4.976 1.00 65.32 C ATOM 129 CE2 PHE A 8 -6.345 -6.707 -5.739 1.00 70.04 C ATOM 130 CZ PHE A 8 -6.566 -5.710 -4.810 1.00 30.14 C ATOM 0 H PHE A 8 -2.610 -3.221 -7.120 1.00 12.12 H new ATOM 0 HA PHE A 8 -2.414 -6.073 -7.405 1.00 35.34 H new ATOM 0 HB2 PHE A 8 -4.237 -3.940 -8.566 1.00 21.51 H new ATOM 0 HB3 PHE A 8 -4.370 -5.625 -9.030 1.00 21.51 H new ATOM 0 HD1 PHE A 8 -4.719 -3.258 -6.199 1.00 23.05 H new ATOM 0 HD2 PHE A 8 -5.369 -7.250 -7.556 1.00 13.44 H new ATOM 0 HE1 PHE A 8 -6.151 -3.692 -4.249 1.00 65.32 H new ATOM 0 HE2 PHE A 8 -6.803 -7.676 -5.610 1.00 70.04 H new ATOM 0 HZ PHE A 8 -7.197 -5.899 -3.954 1.00 30.14 H new ATOM 140 N SER A 9 -0.666 -5.942 -9.280 1.00 42.21 N ATOM 141 CA SER A 9 0.139 -6.179 -10.490 1.00 70.43 C ATOM 142 C SER A 9 1.445 -6.904 -10.146 1.00 53.15 C ATOM 143 O SER A 9 2.339 -6.330 -9.524 1.00 23.44 O ATOM 144 CB SER A 9 0.473 -4.865 -11.221 1.00 61.31 C ATOM 145 OG SER A 9 1.167 -5.119 -12.438 1.00 53.24 O ATOM 0 H SER A 9 -0.265 -6.340 -8.431 1.00 42.21 H new ATOM 0 HA SER A 9 -0.464 -6.803 -11.150 1.00 70.43 H new ATOM 0 HB2 SER A 9 -0.446 -4.317 -11.430 1.00 61.31 H new ATOM 0 HB3 SER A 9 1.082 -4.231 -10.577 1.00 61.31 H new ATOM 0 HG SER A 9 1.366 -4.270 -12.884 1.00 53.24 H new ATOM 151 N THR A 10 1.550 -8.169 -10.545 1.00 50.55 N ATOM 152 CA THR A 10 2.770 -8.959 -10.313 1.00 44.12 C ATOM 153 C THR A 10 3.898 -8.556 -11.274 1.00 33.42 C ATOM 154 O THR A 10 4.314 -9.339 -12.134 1.00 33.03 O ATOM 155 CB THR A 10 2.510 -10.478 -10.462 1.00 72.24 C ATOM 156 OG1 THR A 10 2.027 -10.767 -11.785 1.00 42.21 O ATOM 157 CG2 THR A 10 1.500 -10.968 -9.429 1.00 13.20 C ATOM 0 H THR A 10 0.809 -8.674 -11.031 1.00 50.55 H new ATOM 0 HA THR A 10 3.076 -8.747 -9.288 1.00 44.12 H new ATOM 0 HB THR A 10 3.453 -10.999 -10.295 1.00 72.24 H new ATOM 0 HG1 THR A 10 2.653 -10.407 -12.448 1.00 42.21 H new ATOM 0 HG21 THR A 10 1.338 -12.038 -9.558 1.00 13.20 H new ATOM 0 HG22 THR A 10 1.883 -10.778 -8.427 1.00 13.20 H new ATOM 0 HG23 THR A 10 0.556 -10.439 -9.563 1.00 13.20 H new ATOM 165 N ASP A 11 4.388 -7.332 -11.131 1.00 14.54 N ATOM 166 CA ASP A 11 5.456 -6.820 -11.989 1.00 41.01 C ATOM 167 C ASP A 11 6.412 -5.910 -11.204 1.00 71.13 C ATOM 168 O ASP A 11 6.036 -5.312 -10.196 1.00 64.52 O ATOM 169 CB ASP A 11 4.849 -6.067 -13.183 1.00 3.32 C ATOM 170 CG ASP A 11 5.904 -5.491 -14.113 1.00 73.51 C ATOM 171 OD1 ASP A 11 6.945 -6.149 -14.324 1.00 45.52 O ATOM 172 OD2 ASP A 11 5.701 -4.379 -14.638 1.00 14.55 O ATOM 0 H ASP A 11 4.063 -6.670 -10.426 1.00 14.54 H new ATOM 0 HA ASP A 11 6.036 -7.665 -12.359 1.00 41.01 H new ATOM 0 HB2 ASP A 11 4.206 -6.744 -13.745 1.00 3.32 H new ATOM 0 HB3 ASP A 11 4.216 -5.260 -12.814 1.00 3.32 H new ATOM 177 N GLU A 12 7.656 -5.835 -11.663 1.00 11.13 N ATOM 178 CA GLU A 12 8.671 -4.975 -11.047 1.00 34.30 C ATOM 179 C GLU A 12 8.944 -3.726 -11.902 1.00 14.14 C ATOM 180 O GLU A 12 9.416 -2.710 -11.397 1.00 33.34 O ATOM 181 CB GLU A 12 9.967 -5.770 -10.833 1.00 62.13 C ATOM 182 CG GLU A 12 10.470 -6.476 -12.087 1.00 34.03 C ATOM 183 CD GLU A 12 11.810 -7.162 -11.878 1.00 62.10 C ATOM 184 OE1 GLU A 12 11.846 -8.243 -11.257 1.00 41.00 O ATOM 185 OE2 GLU A 12 12.836 -6.625 -12.343 1.00 11.20 O ATOM 0 H GLU A 12 7.992 -6.364 -12.468 1.00 11.13 H new ATOM 0 HA GLU A 12 8.291 -4.638 -10.082 1.00 34.30 H new ATOM 0 HB2 GLU A 12 10.742 -5.093 -10.473 1.00 62.13 H new ATOM 0 HB3 GLU A 12 9.802 -6.511 -10.051 1.00 62.13 H new ATOM 0 HG2 GLU A 12 9.734 -7.215 -12.403 1.00 34.03 H new ATOM 0 HG3 GLU A 12 10.560 -5.751 -12.896 1.00 34.03 H new ATOM 192 N GLU A 13 8.621 -3.800 -13.192 1.00 70.00 N ATOM 193 CA GLU A 13 8.899 -2.706 -14.131 1.00 40.51 C ATOM 194 C GLU A 13 7.956 -1.511 -13.878 1.00 54.31 C ATOM 195 O GLU A 13 8.402 -0.409 -13.562 1.00 74.51 O ATOM 196 CB GLU A 13 8.768 -3.228 -15.575 1.00 42.13 C ATOM 197 CG GLU A 13 9.474 -2.383 -16.635 1.00 51.12 C ATOM 198 CD GLU A 13 8.857 -1.009 -16.827 1.00 53.22 C ATOM 199 OE1 GLU A 13 7.717 -0.932 -17.330 1.00 50.22 O ATOM 200 OE2 GLU A 13 9.499 -0.004 -16.458 1.00 31.53 O ATOM 0 H GLU A 13 8.165 -4.608 -13.615 1.00 70.00 H new ATOM 0 HA GLU A 13 9.918 -2.350 -13.977 1.00 40.51 H new ATOM 0 HB2 GLU A 13 9.166 -4.242 -15.616 1.00 42.13 H new ATOM 0 HB3 GLU A 13 7.710 -3.291 -15.828 1.00 42.13 H new ATOM 0 HG2 GLU A 13 10.521 -2.266 -16.356 1.00 51.12 H new ATOM 0 HG3 GLU A 13 9.455 -2.917 -17.585 1.00 51.12 H new ATOM 207 N THR A 14 6.653 -1.733 -14.018 1.00 23.24 N ATOM 208 CA THR A 14 5.652 -0.711 -13.671 1.00 75.21 C ATOM 209 C THR A 14 5.744 -0.333 -12.186 1.00 72.44 C ATOM 210 O THR A 14 5.546 0.823 -11.812 1.00 32.15 O ATOM 211 CB THR A 14 4.213 -1.188 -14.003 1.00 74.24 C ATOM 212 OG1 THR A 14 4.084 -1.389 -15.418 1.00 10.21 O ATOM 213 CG2 THR A 14 3.166 -0.178 -13.539 1.00 10.13 C ATOM 0 H THR A 14 6.259 -2.606 -14.368 1.00 23.24 H new ATOM 0 HA THR A 14 5.870 0.170 -14.275 1.00 75.21 H new ATOM 0 HB THR A 14 4.041 -2.125 -13.473 1.00 74.24 H new ATOM 0 HG1 THR A 14 3.175 -1.692 -15.624 1.00 10.21 H new ATOM 0 HG21 THR A 14 2.171 -0.545 -13.788 1.00 10.13 H new ATOM 0 HG22 THR A 14 3.244 -0.043 -12.460 1.00 10.13 H new ATOM 0 HG23 THR A 14 3.336 0.777 -14.037 1.00 10.13 H new ATOM 221 N LEU A 15 6.065 -1.312 -11.342 1.00 70.14 N ATOM 222 CA LEU A 15 6.277 -1.056 -9.913 1.00 54.30 C ATOM 223 C LEU A 15 7.507 -0.159 -9.688 1.00 4.31 C ATOM 224 O LEU A 15 7.549 0.623 -8.737 1.00 51.43 O ATOM 225 CB LEU A 15 6.448 -2.375 -9.151 1.00 23.23 C ATOM 226 CG LEU A 15 6.609 -2.240 -7.625 1.00 54.30 C ATOM 227 CD1 LEU A 15 5.369 -1.605 -6.997 1.00 10.41 C ATOM 228 CD2 LEU A 15 6.903 -3.597 -6.993 1.00 22.20 C ATOM 0 H LEU A 15 6.184 -2.287 -11.618 1.00 70.14 H new ATOM 0 HA LEU A 15 5.397 -0.537 -9.533 1.00 54.30 H new ATOM 0 HB2 LEU A 15 5.583 -3.007 -9.354 1.00 23.23 H new ATOM 0 HB3 LEU A 15 7.321 -2.893 -9.547 1.00 23.23 H new ATOM 0 HG LEU A 15 7.456 -1.582 -7.431 1.00 54.30 H new ATOM 0 HD11 LEU A 15 5.509 -1.521 -5.919 1.00 10.41 H new ATOM 0 HD12 LEU A 15 5.214 -0.613 -7.421 1.00 10.41 H new ATOM 0 HD13 LEU A 15 4.498 -2.227 -7.202 1.00 10.41 H new ATOM 0 HD21 LEU A 15 7.013 -3.480 -5.915 1.00 22.20 H new ATOM 0 HD22 LEU A 15 6.081 -4.281 -7.202 1.00 22.20 H new ATOM 0 HD23 LEU A 15 7.825 -4.001 -7.410 1.00 22.20 H new ATOM 240 N ARG A 16 8.502 -0.274 -10.574 1.00 10.14 N ATOM 241 CA ARG A 16 9.711 0.557 -10.499 1.00 4.51 C ATOM 242 C ARG A 16 9.351 2.051 -10.492 1.00 12.33 C ATOM 243 O ARG A 16 10.031 2.856 -9.856 1.00 73.22 O ATOM 244 CB ARG A 16 10.656 0.240 -11.668 1.00 23.23 C ATOM 245 CG ARG A 16 12.021 0.916 -11.565 1.00 10.42 C ATOM 246 CD ARG A 16 12.924 0.552 -12.741 1.00 60.12 C ATOM 247 NE ARG A 16 14.265 1.110 -12.587 1.00 51.24 N ATOM 248 CZ ARG A 16 15.237 0.946 -13.442 1.00 13.11 C ATOM 249 NH1 ARG A 16 15.056 0.266 -14.532 1.00 15.44 N ATOM 250 NH2 ARG A 16 16.395 1.472 -13.200 1.00 35.11 N ATOM 0 H ARG A 16 8.495 -0.934 -11.352 1.00 10.14 H new ATOM 0 HA ARG A 16 10.223 0.325 -9.565 1.00 4.51 H new ATOM 0 HB2 ARG A 16 10.800 -0.839 -11.723 1.00 23.23 H new ATOM 0 HB3 ARG A 16 10.180 0.546 -12.600 1.00 23.23 H new ATOM 0 HG2 ARG A 16 11.889 1.997 -11.529 1.00 10.42 H new ATOM 0 HG3 ARG A 16 12.503 0.622 -10.632 1.00 10.42 H new ATOM 0 HD2 ARG A 16 12.989 -0.533 -12.827 1.00 60.12 H new ATOM 0 HD3 ARG A 16 12.481 0.919 -13.667 1.00 60.12 H new ATOM 0 HE ARG A 16 14.455 1.666 -11.753 1.00 51.24 H new ATOM 0 HH11 ARG A 16 14.145 -0.148 -14.729 1.00 15.44 H new ATOM 0 HH12 ARG A 16 15.825 0.146 -15.192 1.00 15.44 H new ATOM 0 HH21 ARG A 16 16.542 2.010 -12.346 1.00 35.11 H new ATOM 0 HH22 ARG A 16 17.160 1.348 -13.863 1.00 35.11 H new ATOM 264 N LYS A 17 8.269 2.410 -11.191 1.00 30.00 N ATOM 265 CA LYS A 17 7.742 3.778 -11.144 1.00 44.23 C ATOM 266 C LYS A 17 7.453 4.199 -9.693 1.00 64.24 C ATOM 267 O LYS A 17 7.911 5.246 -9.233 1.00 71.33 O ATOM 268 CB LYS A 17 6.456 3.909 -11.986 1.00 24.21 C ATOM 269 CG LYS A 17 6.681 4.054 -13.492 1.00 13.44 C ATOM 270 CD LYS A 17 7.014 2.731 -14.176 1.00 13.53 C ATOM 271 CE LYS A 17 7.222 2.916 -15.677 1.00 0.31 C ATOM 272 NZ LYS A 17 7.361 1.621 -16.392 1.00 54.50 N ATOM 0 H LYS A 17 7.743 1.776 -11.793 1.00 30.00 H new ATOM 0 HA LYS A 17 8.502 4.437 -11.564 1.00 44.23 H new ATOM 0 HB2 LYS A 17 5.833 3.032 -11.810 1.00 24.21 H new ATOM 0 HB3 LYS A 17 5.895 4.774 -11.633 1.00 24.21 H new ATOM 0 HG2 LYS A 17 5.786 4.477 -13.948 1.00 13.44 H new ATOM 0 HG3 LYS A 17 7.492 4.761 -13.666 1.00 13.44 H new ATOM 0 HD2 LYS A 17 7.915 2.307 -13.732 1.00 13.53 H new ATOM 0 HD3 LYS A 17 6.208 2.018 -14.004 1.00 13.53 H new ATOM 0 HE2 LYS A 17 6.380 3.469 -16.093 1.00 0.31 H new ATOM 0 HE3 LYS A 17 8.114 3.519 -15.846 1.00 0.31 H new ATOM 0 HZ1 LYS A 17 7.432 1.795 -17.415 1.00 54.50 H new ATOM 0 HZ2 LYS A 17 8.219 1.133 -16.063 1.00 54.50 H new ATOM 0 HZ3 LYS A 17 6.529 1.027 -16.199 1.00 54.50 H new ATOM 286 N PHE A 18 6.706 3.360 -8.978 1.00 2.24 N ATOM 287 CA PHE A 18 6.357 3.620 -7.574 1.00 35.34 C ATOM 288 C PHE A 18 7.610 3.638 -6.684 1.00 62.34 C ATOM 289 O PHE A 18 7.758 4.500 -5.816 1.00 4.43 O ATOM 290 CB PHE A 18 5.381 2.549 -7.069 1.00 14.10 C ATOM 291 CG PHE A 18 4.088 2.486 -7.847 1.00 32.12 C ATOM 292 CD1 PHE A 18 4.024 1.820 -9.065 1.00 31.21 C ATOM 293 CD2 PHE A 18 2.937 3.091 -7.363 1.00 72.25 C ATOM 294 CE1 PHE A 18 2.841 1.760 -9.779 1.00 32.45 C ATOM 295 CE2 PHE A 18 1.754 3.033 -8.073 1.00 55.21 C ATOM 296 CZ PHE A 18 1.706 2.368 -9.282 1.00 72.11 C ATOM 0 H PHE A 18 6.327 2.488 -9.347 1.00 2.24 H new ATOM 0 HA PHE A 18 5.884 4.600 -7.521 1.00 35.34 H new ATOM 0 HB2 PHE A 18 5.869 1.576 -7.115 1.00 14.10 H new ATOM 0 HB3 PHE A 18 5.154 2.743 -6.021 1.00 14.10 H new ATOM 0 HD1 PHE A 18 4.909 1.343 -9.459 1.00 31.21 H new ATOM 0 HD2 PHE A 18 2.967 3.614 -6.419 1.00 72.25 H new ATOM 0 HE1 PHE A 18 2.805 1.238 -10.724 1.00 32.45 H new ATOM 0 HE2 PHE A 18 0.866 3.508 -7.682 1.00 55.21 H new ATOM 0 HZ PHE A 18 0.781 2.324 -9.838 1.00 72.11 H new ATOM 306 N LYS A 19 8.505 2.677 -6.915 1.00 30.04 N ATOM 307 CA LYS A 19 9.767 2.581 -6.167 1.00 21.23 C ATOM 308 C LYS A 19 10.610 3.859 -6.313 1.00 22.44 C ATOM 309 O LYS A 19 11.190 4.345 -5.341 1.00 31.24 O ATOM 310 CB LYS A 19 10.570 1.355 -6.642 1.00 63.15 C ATOM 311 CG LYS A 19 9.854 0.025 -6.403 1.00 15.31 C ATOM 312 CD LYS A 19 10.590 -1.161 -7.032 1.00 53.45 C ATOM 313 CE LYS A 19 11.991 -1.344 -6.459 1.00 31.44 C ATOM 314 NZ LYS A 19 12.659 -2.552 -7.010 1.00 61.15 N ATOM 0 H LYS A 19 8.381 1.948 -7.618 1.00 30.04 H new ATOM 0 HA LYS A 19 9.523 2.465 -5.111 1.00 21.23 H new ATOM 0 HB2 LYS A 19 10.780 1.459 -7.706 1.00 63.15 H new ATOM 0 HB3 LYS A 19 11.531 1.339 -6.127 1.00 63.15 H new ATOM 0 HG2 LYS A 19 9.754 -0.142 -5.331 1.00 15.31 H new ATOM 0 HG3 LYS A 19 8.845 0.081 -6.813 1.00 15.31 H new ATOM 0 HD2 LYS A 19 10.012 -2.071 -6.870 1.00 53.45 H new ATOM 0 HD3 LYS A 19 10.657 -1.013 -8.110 1.00 53.45 H new ATOM 0 HE2 LYS A 19 12.593 -0.463 -6.681 1.00 31.44 H new ATOM 0 HE3 LYS A 19 11.932 -1.424 -5.374 1.00 31.44 H new ATOM 0 HZ1 LYS A 19 13.609 -2.642 -6.597 1.00 61.15 H new ATOM 0 HZ2 LYS A 19 12.098 -3.396 -6.776 1.00 61.15 H new ATOM 0 HZ3 LYS A 19 12.738 -2.464 -8.043 1.00 61.15 H new ATOM 328 N ASP A 20 10.668 4.401 -7.530 1.00 45.12 N ATOM 329 CA ASP A 20 11.403 5.641 -7.795 1.00 63.55 C ATOM 330 C ASP A 20 10.735 6.844 -7.110 1.00 13.21 C ATOM 331 O ASP A 20 11.407 7.662 -6.487 1.00 61.00 O ATOM 332 CB ASP A 20 11.507 5.881 -9.308 1.00 74.22 C ATOM 333 CG ASP A 20 12.265 7.155 -9.646 1.00 52.42 C ATOM 334 OD1 ASP A 20 13.499 7.179 -9.466 1.00 64.44 O ATOM 335 OD2 ASP A 20 11.631 8.139 -10.092 1.00 62.20 O ATOM 0 H ASP A 20 10.214 4.000 -8.351 1.00 45.12 H new ATOM 0 HA ASP A 20 12.405 5.534 -7.381 1.00 63.55 H new ATOM 0 HB2 ASP A 20 12.006 5.031 -9.774 1.00 74.22 H new ATOM 0 HB3 ASP A 20 10.505 5.935 -9.734 1.00 74.22 H new ATOM 340 N ILE A 21 9.409 6.936 -7.217 1.00 45.35 N ATOM 341 CA ILE A 21 8.655 8.045 -6.615 1.00 13.53 C ATOM 342 C ILE A 21 8.904 8.150 -5.100 1.00 74.21 C ATOM 343 O ILE A 21 9.220 9.227 -4.587 1.00 14.22 O ATOM 344 CB ILE A 21 7.131 7.904 -6.876 1.00 61.34 C ATOM 345 CG1 ILE A 21 6.836 7.998 -8.384 1.00 24.20 C ATOM 346 CG2 ILE A 21 6.339 8.962 -6.101 1.00 4.54 C ATOM 347 CD1 ILE A 21 5.381 7.770 -8.747 1.00 22.33 C ATOM 0 H ILE A 21 8.832 6.258 -7.714 1.00 45.35 H new ATOM 0 HA ILE A 21 9.015 8.956 -7.092 1.00 13.53 H new ATOM 0 HB ILE A 21 6.813 6.924 -6.520 1.00 61.34 H new ATOM 0 HG12 ILE A 21 7.138 8.982 -8.742 1.00 24.20 H new ATOM 0 HG13 ILE A 21 7.449 7.266 -8.909 1.00 24.20 H new ATOM 0 HG21 ILE A 21 5.275 8.840 -6.302 1.00 4.54 H new ATOM 0 HG22 ILE A 21 6.522 8.844 -5.033 1.00 4.54 H new ATOM 0 HG23 ILE A 21 6.656 9.956 -6.415 1.00 4.54 H new ATOM 0 HD11 ILE A 21 5.258 7.853 -9.827 1.00 22.33 H new ATOM 0 HD12 ILE A 21 5.077 6.775 -8.423 1.00 22.33 H new ATOM 0 HD13 ILE A 21 4.761 8.518 -8.252 1.00 22.33 H new ATOM 359 N ILE A 22 8.767 7.033 -4.391 1.00 21.12 N ATOM 360 CA ILE A 22 8.992 7.006 -2.941 1.00 54.43 C ATOM 361 C ILE A 22 10.406 7.508 -2.580 1.00 25.22 C ATOM 362 O ILE A 22 10.572 8.361 -1.700 1.00 35.12 O ATOM 363 CB ILE A 22 8.787 5.577 -2.373 1.00 73.23 C ATOM 364 CG1 ILE A 22 7.354 5.089 -2.652 1.00 25.54 C ATOM 365 CG2 ILE A 22 9.081 5.536 -0.874 1.00 2.30 C ATOM 366 CD1 ILE A 22 7.077 3.677 -2.176 1.00 70.20 C ATOM 0 H ILE A 22 8.502 6.134 -4.792 1.00 21.12 H new ATOM 0 HA ILE A 22 8.260 7.676 -2.491 1.00 54.43 H new ATOM 0 HB ILE A 22 9.488 4.910 -2.874 1.00 73.23 H new ATOM 0 HG12 ILE A 22 6.650 5.768 -2.170 1.00 25.54 H new ATOM 0 HG13 ILE A 22 7.166 5.143 -3.724 1.00 25.54 H new ATOM 0 HG21 ILE A 22 8.930 4.523 -0.501 1.00 2.30 H new ATOM 0 HG22 ILE A 22 10.114 5.837 -0.697 1.00 2.30 H new ATOM 0 HG23 ILE A 22 8.410 6.219 -0.353 1.00 2.30 H new ATOM 0 HD11 ILE A 22 6.047 3.410 -2.410 1.00 70.20 H new ATOM 0 HD12 ILE A 22 7.754 2.985 -2.677 1.00 70.20 H new ATOM 0 HD13 ILE A 22 7.231 3.620 -1.098 1.00 70.20 H new ATOM 378 N LYS A 23 11.417 6.988 -3.280 1.00 43.22 N ATOM 379 CA LYS A 23 12.810 7.407 -3.064 1.00 35.30 C ATOM 380 C LYS A 23 13.029 8.874 -3.482 1.00 53.55 C ATOM 381 O LYS A 23 13.815 9.596 -2.866 1.00 1.23 O ATOM 382 CB LYS A 23 13.771 6.497 -3.845 1.00 72.43 C ATOM 383 CG LYS A 23 13.684 5.022 -3.460 1.00 32.51 C ATOM 384 CD LYS A 23 14.719 4.184 -4.207 1.00 34.35 C ATOM 385 CE LYS A 23 14.603 2.698 -3.877 1.00 3.31 C ATOM 386 NZ LYS A 23 15.673 1.905 -4.542 1.00 43.51 N ATOM 0 H LYS A 23 11.300 6.276 -4.001 1.00 43.22 H new ATOM 0 HA LYS A 23 13.017 7.321 -1.997 1.00 35.30 H new ATOM 0 HB2 LYS A 23 13.563 6.596 -4.910 1.00 72.43 H new ATOM 0 HB3 LYS A 23 14.792 6.843 -3.686 1.00 72.43 H new ATOM 0 HG2 LYS A 23 13.836 4.916 -2.386 1.00 32.51 H new ATOM 0 HG3 LYS A 23 12.684 4.647 -3.679 1.00 32.51 H new ATOM 0 HD2 LYS A 23 14.594 4.327 -5.280 1.00 34.35 H new ATOM 0 HD3 LYS A 23 15.720 4.534 -3.953 1.00 34.35 H new ATOM 0 HE2 LYS A 23 14.663 2.558 -2.798 1.00 3.31 H new ATOM 0 HE3 LYS A 23 13.627 2.330 -4.192 1.00 3.31 H new ATOM 0 HZ1 LYS A 23 15.564 0.900 -4.296 1.00 43.51 H new ATOM 0 HZ2 LYS A 23 15.600 2.019 -5.573 1.00 43.51 H new ATOM 0 HZ3 LYS A 23 16.604 2.241 -4.222 1.00 43.51 H new ATOM 400 N LYS A 24 12.318 9.303 -4.525 1.00 72.01 N ATOM 401 CA LYS A 24 12.416 10.676 -5.041 1.00 32.31 C ATOM 402 C LYS A 24 11.952 11.694 -3.981 1.00 65.34 C ATOM 403 O LYS A 24 12.467 12.810 -3.903 1.00 50.34 O ATOM 404 CB LYS A 24 11.580 10.796 -6.335 1.00 42.04 C ATOM 405 CG LYS A 24 11.986 11.937 -7.272 1.00 13.54 C ATOM 406 CD LYS A 24 11.434 13.289 -6.830 1.00 10.42 C ATOM 407 CE LYS A 24 11.858 14.405 -7.776 1.00 70.24 C ATOM 408 NZ LYS A 24 11.369 14.185 -9.164 1.00 41.44 N ATOM 0 H LYS A 24 11.660 8.715 -5.036 1.00 72.01 H new ATOM 0 HA LYS A 24 13.457 10.900 -5.272 1.00 32.31 H new ATOM 0 HB2 LYS A 24 11.650 9.856 -6.882 1.00 42.04 H new ATOM 0 HB3 LYS A 24 10.533 10.928 -6.061 1.00 42.04 H new ATOM 0 HG2 LYS A 24 13.074 11.992 -7.320 1.00 13.54 H new ATOM 0 HG3 LYS A 24 11.633 11.717 -8.279 1.00 13.54 H new ATOM 0 HD2 LYS A 24 10.346 13.242 -6.787 1.00 10.42 H new ATOM 0 HD3 LYS A 24 11.783 13.513 -5.822 1.00 10.42 H new ATOM 0 HE2 LYS A 24 11.477 15.357 -7.406 1.00 70.24 H new ATOM 0 HE3 LYS A 24 12.946 14.478 -7.784 1.00 70.24 H new ATOM 0 HZ1 LYS A 24 11.502 15.053 -9.721 1.00 41.44 H new ATOM 0 HZ2 LYS A 24 11.904 13.408 -9.602 1.00 41.44 H new ATOM 0 HZ3 LYS A 24 10.359 13.940 -9.141 1.00 41.44 H new ATOM 422 N ASN A 25 10.984 11.297 -3.158 1.00 65.45 N ATOM 423 CA ASN A 25 10.513 12.145 -2.055 1.00 13.25 C ATOM 424 C ASN A 25 11.463 12.083 -0.844 1.00 0.33 C ATOM 425 O ASN A 25 11.584 13.055 -0.091 1.00 62.21 O ATOM 426 CB ASN A 25 9.094 11.746 -1.635 1.00 22.04 C ATOM 427 CG ASN A 25 8.050 12.122 -2.673 1.00 23.01 C ATOM 428 OD1 ASN A 25 7.525 13.228 -2.670 1.00 3.02 O ATOM 429 ND2 ASN A 25 7.734 11.208 -3.565 1.00 54.22 N ATOM 0 H ASN A 25 10.509 10.397 -3.230 1.00 65.45 H new ATOM 0 HA ASN A 25 10.499 13.173 -2.417 1.00 13.25 H new ATOM 0 HB2 ASN A 25 9.059 10.670 -1.463 1.00 22.04 H new ATOM 0 HB3 ASN A 25 8.850 12.228 -0.688 1.00 22.04 H new ATOM 0 HD21 ASN A 25 7.035 11.412 -4.279 1.00 54.22 H new ATOM 0 HD22 ASN A 25 8.188 10.295 -3.543 1.00 54.22 H new ATOM 436 N GLY A 26 12.134 10.942 -0.659 1.00 24.11 N ATOM 437 CA GLY A 26 13.104 10.803 0.432 1.00 73.23 C ATOM 438 C GLY A 26 12.888 9.570 1.311 1.00 73.45 C ATOM 439 O GLY A 26 13.711 9.273 2.181 1.00 32.33 O ATOM 0 H GLY A 26 12.026 10.112 -1.242 1.00 24.11 H new ATOM 0 HA2 GLY A 26 14.107 10.761 0.008 1.00 73.23 H new ATOM 0 HA3 GLY A 26 13.059 11.694 1.058 1.00 73.23 H new ATOM 443 N PHE A 27 11.798 8.842 1.083 1.00 31.12 N ATOM 444 CA PHE A 27 11.464 7.667 1.905 1.00 70.14 C ATOM 445 C PHE A 27 12.051 6.371 1.322 1.00 75.34 C ATOM 446 O PHE A 27 12.453 6.322 0.157 1.00 61.44 O ATOM 447 CB PHE A 27 9.941 7.539 2.048 1.00 31.20 C ATOM 448 CG PHE A 27 9.321 8.633 2.880 1.00 32.35 C ATOM 449 CD1 PHE A 27 9.133 9.904 2.356 1.00 43.21 C ATOM 450 CD2 PHE A 27 8.935 8.392 4.191 1.00 53.24 C ATOM 451 CE1 PHE A 27 8.574 10.909 3.122 1.00 13.42 C ATOM 452 CE2 PHE A 27 8.376 9.392 4.962 1.00 71.31 C ATOM 453 CZ PHE A 27 8.195 10.652 4.427 1.00 20.03 C ATOM 0 H PHE A 27 11.128 9.039 0.339 1.00 31.12 H new ATOM 0 HA PHE A 27 11.911 7.816 2.888 1.00 70.14 H new ATOM 0 HB2 PHE A 27 9.489 7.547 1.056 1.00 31.20 H new ATOM 0 HB3 PHE A 27 9.706 6.574 2.497 1.00 31.20 H new ATOM 0 HD1 PHE A 27 9.427 10.110 1.337 1.00 43.21 H new ATOM 0 HD2 PHE A 27 9.074 7.408 4.614 1.00 53.24 H new ATOM 0 HE1 PHE A 27 8.433 11.894 2.702 1.00 13.42 H new ATOM 0 HE2 PHE A 27 8.081 9.189 5.981 1.00 71.31 H new ATOM 0 HZ PHE A 27 7.758 11.436 5.027 1.00 20.03 H new ATOM 463 N LYS A 28 12.107 5.324 2.146 1.00 30.12 N ATOM 464 CA LYS A 28 12.631 4.019 1.710 1.00 51.13 C ATOM 465 C LYS A 28 11.499 3.076 1.267 1.00 73.10 C ATOM 466 O LYS A 28 10.343 3.252 1.652 1.00 5.31 O ATOM 467 CB LYS A 28 13.469 3.365 2.825 1.00 35.50 C ATOM 468 CG LYS A 28 14.827 4.032 3.059 1.00 74.33 C ATOM 469 CD LYS A 28 14.703 5.431 3.662 1.00 14.13 C ATOM 470 CE LYS A 28 14.245 5.392 5.116 1.00 61.24 C ATOM 471 NZ LYS A 28 15.299 4.845 6.014 1.00 13.33 N ATOM 0 H LYS A 28 11.798 5.349 3.118 1.00 30.12 H new ATOM 0 HA LYS A 28 13.275 4.197 0.849 1.00 51.13 H new ATOM 0 HB2 LYS A 28 12.900 3.389 3.754 1.00 35.50 H new ATOM 0 HB3 LYS A 28 13.630 2.316 2.576 1.00 35.50 H new ATOM 0 HG2 LYS A 28 15.424 3.407 3.723 1.00 74.33 H new ATOM 0 HG3 LYS A 28 15.364 4.095 2.112 1.00 74.33 H new ATOM 0 HD2 LYS A 28 15.666 5.939 3.599 1.00 14.13 H new ATOM 0 HD3 LYS A 28 13.995 6.016 3.075 1.00 14.13 H new ATOM 0 HE2 LYS A 28 13.978 6.398 5.440 1.00 61.24 H new ATOM 0 HE3 LYS A 28 13.346 4.782 5.197 1.00 61.24 H new ATOM 0 HZ1 LYS A 28 15.028 5.005 7.005 1.00 13.33 H new ATOM 0 HZ2 LYS A 28 15.404 3.824 5.844 1.00 13.33 H new ATOM 0 HZ3 LYS A 28 16.202 5.323 5.821 1.00 13.33 H new ATOM 485 N VAL A 29 11.845 2.071 0.459 1.00 13.22 N ATOM 486 CA VAL A 29 10.848 1.163 -0.131 1.00 13.23 C ATOM 487 C VAL A 29 11.077 -0.302 0.285 1.00 11.13 C ATOM 488 O VAL A 29 12.196 -0.818 0.193 1.00 50.41 O ATOM 489 CB VAL A 29 10.881 1.237 -1.681 1.00 35.22 C ATOM 490 CG1 VAL A 29 9.747 0.414 -2.290 1.00 41.35 C ATOM 491 CG2 VAL A 29 10.826 2.684 -2.162 1.00 10.33 C ATOM 0 H VAL A 29 12.808 1.862 0.196 1.00 13.22 H new ATOM 0 HA VAL A 29 9.879 1.491 0.244 1.00 13.23 H new ATOM 0 HB VAL A 29 11.826 0.809 -2.017 1.00 35.22 H new ATOM 0 HG11 VAL A 29 9.791 0.482 -3.377 1.00 41.35 H new ATOM 0 HG12 VAL A 29 9.850 -0.628 -1.987 1.00 41.35 H new ATOM 0 HG13 VAL A 29 8.789 0.800 -1.941 1.00 41.35 H new ATOM 0 HG21 VAL A 29 10.851 2.706 -3.251 1.00 10.33 H new ATOM 0 HG22 VAL A 29 9.905 3.150 -1.810 1.00 10.33 H new ATOM 0 HG23 VAL A 29 11.683 3.231 -1.768 1.00 10.33 H new ATOM 501 N ARG A 30 10.016 -0.970 0.736 1.00 74.01 N ATOM 502 CA ARG A 30 10.058 -2.419 0.993 1.00 30.43 C ATOM 503 C ARG A 30 8.870 -3.134 0.327 1.00 44.02 C ATOM 504 O ARG A 30 7.729 -2.990 0.758 1.00 12.52 O ATOM 505 CB ARG A 30 10.086 -2.712 2.504 1.00 43.23 C ATOM 506 CG ARG A 30 11.387 -2.277 3.177 1.00 72.01 C ATOM 507 CD ARG A 30 11.586 -2.924 4.545 1.00 45.24 C ATOM 508 NE ARG A 30 10.522 -2.599 5.493 1.00 3.21 N ATOM 509 CZ ARG A 30 10.728 -2.158 6.708 1.00 31.21 C ATOM 510 NH1 ARG A 30 11.929 -1.913 7.129 1.00 35.51 N ATOM 511 NH2 ARG A 30 9.727 -1.970 7.499 1.00 33.23 N ATOM 0 H ARG A 30 9.114 -0.536 0.933 1.00 74.01 H new ATOM 0 HA ARG A 30 10.978 -2.806 0.554 1.00 30.43 H new ATOM 0 HB2 ARG A 30 9.249 -2.203 2.982 1.00 43.23 H new ATOM 0 HB3 ARG A 30 9.942 -3.781 2.663 1.00 43.23 H new ATOM 0 HG2 ARG A 30 12.228 -2.533 2.533 1.00 72.01 H new ATOM 0 HG3 ARG A 30 11.389 -1.193 3.288 1.00 72.01 H new ATOM 0 HD2 ARG A 30 11.639 -4.006 4.424 1.00 45.24 H new ATOM 0 HD3 ARG A 30 12.542 -2.602 4.957 1.00 45.24 H new ATOM 0 HE ARG A 30 9.557 -2.724 5.188 1.00 3.21 H new ATOM 0 HH11 ARG A 30 12.727 -2.064 6.511 1.00 35.51 H new ATOM 0 HH12 ARG A 30 12.077 -1.570 8.078 1.00 35.51 H new ATOM 0 HH21 ARG A 30 8.779 -2.165 7.177 1.00 33.23 H new ATOM 0 HH22 ARG A 30 9.883 -1.626 8.447 1.00 33.23 H new ATOM 525 N THR A 31 9.151 -3.901 -0.728 1.00 2.33 N ATOM 526 CA THR A 31 8.101 -4.583 -1.501 1.00 31.24 C ATOM 527 C THR A 31 7.831 -5.999 -0.972 1.00 22.20 C ATOM 528 O THR A 31 8.686 -6.881 -1.059 1.00 21.44 O ATOM 529 CB THR A 31 8.465 -4.667 -3.005 1.00 64.53 C ATOM 530 OG1 THR A 31 9.710 -5.365 -3.182 1.00 72.34 O ATOM 531 CG2 THR A 31 8.571 -3.272 -3.618 1.00 22.23 C ATOM 0 H THR A 31 10.097 -4.068 -1.070 1.00 2.33 H new ATOM 0 HA THR A 31 7.198 -3.984 -1.383 1.00 31.24 H new ATOM 0 HB THR A 31 7.670 -5.214 -3.511 1.00 64.53 H new ATOM 0 HG1 THR A 31 9.830 -6.009 -2.454 1.00 72.34 H new ATOM 0 HG21 THR A 31 8.827 -3.357 -4.674 1.00 22.23 H new ATOM 0 HG22 THR A 31 7.616 -2.757 -3.517 1.00 22.23 H new ATOM 0 HG23 THR A 31 9.346 -2.705 -3.101 1.00 22.23 H new ATOM 539 N VAL A 32 6.630 -6.210 -0.436 1.00 42.32 N ATOM 540 CA VAL A 32 6.244 -7.502 0.143 1.00 21.43 C ATOM 541 C VAL A 32 5.991 -8.572 -0.934 1.00 33.02 C ATOM 542 O VAL A 32 5.300 -8.332 -1.926 1.00 42.43 O ATOM 543 CB VAL A 32 4.974 -7.350 1.020 1.00 30.02 C ATOM 544 CG1 VAL A 32 4.540 -8.691 1.608 1.00 10.51 C ATOM 545 CG2 VAL A 32 5.206 -6.322 2.125 1.00 10.53 C ATOM 0 H VAL A 32 5.900 -5.499 -0.389 1.00 42.32 H new ATOM 0 HA VAL A 32 7.082 -7.831 0.758 1.00 21.43 H new ATOM 0 HB VAL A 32 4.166 -6.994 0.381 1.00 30.02 H new ATOM 0 HG11 VAL A 32 3.647 -8.549 2.217 1.00 10.51 H new ATOM 0 HG12 VAL A 32 4.321 -9.389 0.800 1.00 10.51 H new ATOM 0 HG13 VAL A 32 5.342 -9.093 2.227 1.00 10.51 H new ATOM 0 HG21 VAL A 32 4.304 -6.229 2.730 1.00 10.53 H new ATOM 0 HG22 VAL A 32 6.034 -6.646 2.755 1.00 10.53 H new ATOM 0 HG23 VAL A 32 5.445 -5.357 1.679 1.00 10.53 H new ATOM 555 N ARG A 33 6.555 -9.759 -0.711 1.00 31.01 N ATOM 556 CA ARG A 33 6.381 -10.910 -1.612 1.00 24.11 C ATOM 557 C ARG A 33 5.572 -12.033 -0.936 1.00 62.02 C ATOM 558 O ARG A 33 4.960 -12.869 -1.602 1.00 31.22 O ATOM 559 CB ARG A 33 7.764 -11.429 -2.035 1.00 40.45 C ATOM 560 CG ARG A 33 8.688 -11.706 -0.852 1.00 33.53 C ATOM 561 CD ARG A 33 10.113 -12.031 -1.284 1.00 51.25 C ATOM 562 NE ARG A 33 11.011 -12.117 -0.134 1.00 55.42 N ATOM 563 CZ ARG A 33 12.305 -12.242 -0.218 1.00 70.41 C ATOM 564 NH1 ARG A 33 12.895 -12.272 -1.372 1.00 24.33 N ATOM 565 NH2 ARG A 33 13.016 -12.314 0.863 1.00 3.54 N ATOM 0 H ARG A 33 7.146 -9.955 0.097 1.00 31.01 H new ATOM 0 HA ARG A 33 5.822 -10.587 -2.491 1.00 24.11 H new ATOM 0 HB2 ARG A 33 7.640 -12.344 -2.614 1.00 40.45 H new ATOM 0 HB3 ARG A 33 8.234 -10.698 -2.692 1.00 40.45 H new ATOM 0 HG2 ARG A 33 8.701 -10.837 -0.195 1.00 33.53 H new ATOM 0 HG3 ARG A 33 8.290 -12.538 -0.272 1.00 33.53 H new ATOM 0 HD2 ARG A 33 10.124 -12.976 -1.828 1.00 51.25 H new ATOM 0 HD3 ARG A 33 10.471 -11.264 -1.971 1.00 51.25 H new ATOM 0 HE ARG A 33 10.597 -12.076 0.797 1.00 55.42 H new ATOM 0 HH11 ARG A 33 12.345 -12.197 -2.228 1.00 24.33 H new ATOM 0 HH12 ARG A 33 13.909 -12.370 -1.424 1.00 24.33 H new ATOM 0 HH21 ARG A 33 12.562 -12.273 1.776 1.00 3.54 H new ATOM 0 HH22 ARG A 33 14.029 -12.412 0.801 1.00 3.54 H new ATOM 579 N SER A 34 5.575 -12.034 0.398 1.00 23.43 N ATOM 580 CA SER A 34 4.870 -13.053 1.195 1.00 74.33 C ATOM 581 C SER A 34 4.320 -12.428 2.489 1.00 63.34 C ATOM 582 O SER A 34 4.874 -11.445 2.981 1.00 43.34 O ATOM 583 CB SER A 34 5.822 -14.210 1.548 1.00 53.43 C ATOM 584 OG SER A 34 6.375 -14.805 0.386 1.00 74.33 O ATOM 0 H SER A 34 6.062 -11.335 0.959 1.00 23.43 H new ATOM 0 HA SER A 34 4.042 -13.441 0.602 1.00 74.33 H new ATOM 0 HB2 SER A 34 6.625 -13.839 2.185 1.00 53.43 H new ATOM 0 HB3 SER A 34 5.282 -14.964 2.122 1.00 53.43 H new ATOM 0 HG SER A 34 6.976 -15.534 0.646 1.00 74.33 H new ATOM 590 N PRO A 35 3.241 -12.990 3.080 1.00 63.25 N ATOM 591 CA PRO A 35 2.615 -12.412 4.292 1.00 21.25 C ATOM 592 C PRO A 35 3.619 -12.238 5.448 1.00 34.53 C ATOM 593 O PRO A 35 3.580 -11.249 6.187 1.00 20.44 O ATOM 594 CB PRO A 35 1.516 -13.430 4.659 1.00 55.31 C ATOM 595 CG PRO A 35 1.853 -14.672 3.896 1.00 45.42 C ATOM 596 CD PRO A 35 2.556 -14.223 2.645 1.00 32.12 C ATOM 0 HA PRO A 35 2.228 -11.409 4.110 1.00 21.25 H new ATOM 0 HB2 PRO A 35 1.500 -13.621 5.732 1.00 55.31 H new ATOM 0 HB3 PRO A 35 0.529 -13.057 4.386 1.00 55.31 H new ATOM 0 HG2 PRO A 35 2.492 -15.329 4.486 1.00 45.42 H new ATOM 0 HG3 PRO A 35 0.952 -15.236 3.654 1.00 45.42 H new ATOM 0 HD2 PRO A 35 3.261 -14.973 2.286 1.00 32.12 H new ATOM 0 HD3 PRO A 35 1.854 -14.031 1.833 1.00 32.12 H new ATOM 604 N GLN A 36 4.531 -13.201 5.576 1.00 61.40 N ATOM 605 CA GLN A 36 5.591 -13.155 6.590 1.00 42.45 C ATOM 606 C GLN A 36 6.454 -11.885 6.457 1.00 34.22 C ATOM 607 O GLN A 36 6.919 -11.332 7.455 1.00 20.10 O ATOM 608 CB GLN A 36 6.476 -14.407 6.468 1.00 13.24 C ATOM 609 CG GLN A 36 7.247 -14.500 5.151 1.00 42.51 C ATOM 610 CD GLN A 36 7.999 -15.811 4.996 1.00 43.31 C ATOM 611 OE1 GLN A 36 8.395 -16.435 5.972 1.00 41.21 O ATOM 612 NE2 GLN A 36 8.210 -16.235 3.765 1.00 63.42 N ATOM 0 H GLN A 36 4.559 -14.032 4.985 1.00 61.40 H new ATOM 0 HA GLN A 36 5.118 -13.131 7.572 1.00 42.45 H new ATOM 0 HB2 GLN A 36 7.187 -14.418 7.294 1.00 13.24 H new ATOM 0 HB3 GLN A 36 5.850 -15.293 6.574 1.00 13.24 H new ATOM 0 HG2 GLN A 36 6.551 -14.386 4.320 1.00 42.51 H new ATOM 0 HG3 GLN A 36 7.954 -13.672 5.091 1.00 42.51 H new ATOM 0 HE21 GLN A 36 7.867 -15.692 2.973 1.00 63.42 H new ATOM 0 HE22 GLN A 36 8.716 -17.106 3.605 1.00 63.42 H new ATOM 621 N GLU A 37 6.644 -11.422 5.220 1.00 51.11 N ATOM 622 CA GLU A 37 7.488 -10.254 4.943 1.00 3.45 C ATOM 623 C GLU A 37 6.842 -8.960 5.461 1.00 71.24 C ATOM 624 O GLU A 37 7.524 -8.079 5.982 1.00 53.20 O ATOM 625 CB GLU A 37 7.753 -10.140 3.433 1.00 31.34 C ATOM 626 CG GLU A 37 8.329 -11.407 2.801 1.00 53.03 C ATOM 627 CD GLU A 37 9.730 -11.750 3.300 1.00 51.35 C ATOM 628 OE1 GLU A 37 9.851 -12.393 4.361 1.00 52.31 O ATOM 629 OE2 GLU A 37 10.713 -11.389 2.616 1.00 22.21 O ATOM 0 H GLU A 37 6.223 -11.839 4.390 1.00 51.11 H new ATOM 0 HA GLU A 37 8.434 -10.392 5.467 1.00 3.45 H new ATOM 0 HB2 GLU A 37 6.820 -9.888 2.930 1.00 31.34 H new ATOM 0 HB3 GLU A 37 8.442 -9.314 3.258 1.00 31.34 H new ATOM 0 HG2 GLU A 37 7.662 -12.244 3.009 1.00 53.03 H new ATOM 0 HG3 GLU A 37 8.357 -11.284 1.718 1.00 53.03 H new ATOM 636 N LEU A 38 5.522 -8.849 5.310 1.00 53.41 N ATOM 637 CA LEU A 38 4.783 -7.687 5.819 1.00 23.22 C ATOM 638 C LEU A 38 4.866 -7.621 7.350 1.00 73.31 C ATOM 639 O LEU A 38 5.175 -6.575 7.925 1.00 25.14 O ATOM 640 CB LEU A 38 3.316 -7.749 5.372 1.00 13.41 C ATOM 641 CG LEU A 38 2.433 -6.576 5.839 1.00 70.01 C ATOM 642 CD1 LEU A 38 2.943 -5.248 5.277 1.00 35.32 C ATOM 643 CD2 LEU A 38 0.975 -6.807 5.441 1.00 20.43 C ATOM 0 H LEU A 38 4.942 -9.545 4.842 1.00 53.41 H new ATOM 0 HA LEU A 38 5.238 -6.786 5.408 1.00 23.22 H new ATOM 0 HB2 LEU A 38 3.287 -7.792 4.283 1.00 13.41 H new ATOM 0 HB3 LEU A 38 2.881 -8.678 5.740 1.00 13.41 H new ATOM 0 HG LEU A 38 2.488 -6.524 6.926 1.00 70.01 H new ATOM 0 HD11 LEU A 38 2.302 -4.437 5.622 1.00 35.32 H new ATOM 0 HD12 LEU A 38 3.963 -5.075 5.620 1.00 35.32 H new ATOM 0 HD13 LEU A 38 2.928 -5.284 4.188 1.00 35.32 H new ATOM 0 HD21 LEU A 38 0.368 -5.968 5.780 1.00 20.43 H new ATOM 0 HD22 LEU A 38 0.903 -6.893 4.357 1.00 20.43 H new ATOM 0 HD23 LEU A 38 0.613 -7.726 5.902 1.00 20.43 H new ATOM 655 N LYS A 39 4.597 -8.754 7.997 1.00 32.14 N ATOM 656 CA LYS A 39 4.701 -8.865 9.454 1.00 20.51 C ATOM 657 C LYS A 39 6.106 -8.469 9.947 1.00 41.51 C ATOM 658 O LYS A 39 6.251 -7.670 10.876 1.00 43.52 O ATOM 659 CB LYS A 39 4.370 -10.302 9.881 1.00 12.31 C ATOM 660 CG LYS A 39 4.474 -10.551 11.382 1.00 74.32 C ATOM 661 CD LYS A 39 4.094 -11.984 11.746 1.00 11.14 C ATOM 662 CE LYS A 39 2.617 -12.271 11.483 1.00 30.24 C ATOM 663 NZ LYS A 39 2.267 -13.686 11.771 1.00 1.40 N ATOM 0 H LYS A 39 4.304 -9.614 7.533 1.00 32.14 H new ATOM 0 HA LYS A 39 3.987 -8.177 9.907 1.00 20.51 H new ATOM 0 HB2 LYS A 39 3.358 -10.542 9.554 1.00 12.31 H new ATOM 0 HB3 LYS A 39 5.043 -10.986 9.364 1.00 12.31 H new ATOM 0 HG2 LYS A 39 5.492 -10.349 11.714 1.00 74.32 H new ATOM 0 HG3 LYS A 39 3.822 -9.856 11.912 1.00 74.32 H new ATOM 0 HD2 LYS A 39 4.706 -12.678 11.170 1.00 11.14 H new ATOM 0 HD3 LYS A 39 4.316 -12.161 12.798 1.00 11.14 H new ATOM 0 HE2 LYS A 39 2.004 -11.613 12.099 1.00 30.24 H new ATOM 0 HE3 LYS A 39 2.383 -12.044 10.443 1.00 30.24 H new ATOM 0 HZ1 LYS A 39 1.256 -13.839 11.580 1.00 1.40 H new ATOM 0 HZ2 LYS A 39 2.833 -14.314 11.165 1.00 1.40 H new ATOM 0 HZ3 LYS A 39 2.466 -13.897 12.770 1.00 1.40 H new ATOM 677 N ASP A 40 7.132 -9.026 9.303 1.00 23.41 N ATOM 678 CA ASP A 40 8.528 -8.736 9.650 1.00 12.50 C ATOM 679 C ASP A 40 8.864 -7.247 9.432 1.00 45.02 C ATOM 680 O ASP A 40 9.534 -6.619 10.258 1.00 23.41 O ATOM 681 CB ASP A 40 9.450 -9.630 8.809 1.00 4.44 C ATOM 682 CG ASP A 40 10.899 -9.566 9.254 1.00 30.51 C ATOM 683 OD1 ASP A 40 11.182 -9.926 10.415 1.00 44.32 O ATOM 684 OD2 ASP A 40 11.768 -9.178 8.442 1.00 50.43 O ATOM 0 H ASP A 40 7.023 -9.685 8.532 1.00 23.41 H new ATOM 0 HA ASP A 40 8.680 -8.948 10.708 1.00 12.50 H new ATOM 0 HB2 ASP A 40 9.102 -10.661 8.869 1.00 4.44 H new ATOM 0 HB3 ASP A 40 9.383 -9.331 7.763 1.00 4.44 H new ATOM 689 N SER A 41 8.379 -6.693 8.320 1.00 23.32 N ATOM 690 CA SER A 41 8.567 -5.269 7.994 1.00 65.34 C ATOM 691 C SER A 41 7.997 -4.353 9.088 1.00 41.34 C ATOM 692 O SER A 41 8.627 -3.367 9.482 1.00 64.24 O ATOM 693 CB SER A 41 7.898 -4.939 6.648 1.00 53.25 C ATOM 694 OG SER A 41 7.939 -3.545 6.361 1.00 20.52 O ATOM 0 H SER A 41 7.847 -7.211 7.620 1.00 23.32 H new ATOM 0 HA SER A 41 9.640 -5.089 7.927 1.00 65.34 H new ATOM 0 HB2 SER A 41 8.398 -5.488 5.850 1.00 53.25 H new ATOM 0 HB3 SER A 41 6.861 -5.275 6.666 1.00 53.25 H new ATOM 0 HG SER A 41 7.207 -3.093 6.830 1.00 20.52 H new ATOM 863 N ALA A 51 10.753 6.002 8.569 1.00 11.11 N ATOM 864 CA ALA A 51 10.573 6.713 7.294 1.00 14.03 C ATOM 865 C ALA A 51 10.627 5.742 6.101 1.00 12.11 C ATOM 866 O ALA A 51 11.081 6.097 5.008 1.00 1.02 O ATOM 867 CB ALA A 51 11.640 7.795 7.150 1.00 22.21 C ATOM 0 HA ALA A 51 9.588 7.179 7.297 1.00 14.03 H new ATOM 0 HB1 ALA A 51 11.502 8.318 6.204 1.00 22.21 H new ATOM 0 HB2 ALA A 51 11.553 8.504 7.973 1.00 22.21 H new ATOM 0 HB3 ALA A 51 12.629 7.336 7.170 1.00 22.21 H new ATOM 873 N THR A 52 10.152 4.516 6.310 1.00 31.41 N ATOM 874 CA THR A 52 10.160 3.484 5.260 1.00 43.41 C ATOM 875 C THR A 52 8.737 3.055 4.872 1.00 51.42 C ATOM 876 O THR A 52 7.986 2.539 5.700 1.00 41.41 O ATOM 877 CB THR A 52 10.956 2.234 5.711 1.00 1.24 C ATOM 878 OG1 THR A 52 12.285 2.616 6.091 1.00 72.25 O ATOM 879 CG2 THR A 52 11.024 1.181 4.606 1.00 42.24 C ATOM 0 H THR A 52 9.755 4.207 7.197 1.00 31.41 H new ATOM 0 HA THR A 52 10.643 3.930 4.391 1.00 43.41 H new ATOM 0 HB THR A 52 10.436 1.797 6.563 1.00 1.24 H new ATOM 0 HG1 THR A 52 12.784 1.823 6.377 1.00 72.25 H new ATOM 0 HG21 THR A 52 11.590 0.319 4.959 1.00 42.24 H new ATOM 0 HG22 THR A 52 10.015 0.868 4.339 1.00 42.24 H new ATOM 0 HG23 THR A 52 11.516 1.604 3.730 1.00 42.24 H new ATOM 887 N ILE A 53 8.379 3.265 3.607 1.00 61.22 N ATOM 888 CA ILE A 53 7.065 2.870 3.092 1.00 52.23 C ATOM 889 C ILE A 53 7.090 1.423 2.572 1.00 32.33 C ATOM 890 O ILE A 53 7.988 1.035 1.817 1.00 42.22 O ATOM 891 CB ILE A 53 6.607 3.815 1.950 1.00 4.11 C ATOM 892 CG1 ILE A 53 6.626 5.280 2.423 1.00 2.40 C ATOM 893 CG2 ILE A 53 5.213 3.426 1.457 1.00 15.13 C ATOM 894 CD1 ILE A 53 6.161 6.278 1.381 1.00 24.12 C ATOM 0 H ILE A 53 8.982 3.709 2.915 1.00 61.22 H new ATOM 0 HA ILE A 53 6.358 2.941 3.919 1.00 52.23 H new ATOM 0 HB ILE A 53 7.304 3.713 1.118 1.00 4.11 H new ATOM 0 HG12 ILE A 53 5.993 5.373 3.306 1.00 2.40 H new ATOM 0 HG13 ILE A 53 7.640 5.538 2.729 1.00 2.40 H new ATOM 0 HG21 ILE A 53 4.909 4.100 0.656 1.00 15.13 H new ATOM 0 HG22 ILE A 53 5.232 2.403 1.082 1.00 15.13 H new ATOM 0 HG23 ILE A 53 4.503 3.498 2.281 1.00 15.13 H new ATOM 0 HD11 ILE A 53 6.206 7.285 1.796 1.00 24.12 H new ATOM 0 HD12 ILE A 53 6.807 6.218 0.505 1.00 24.12 H new ATOM 0 HD13 ILE A 53 5.135 6.050 1.091 1.00 24.12 H new ATOM 906 N VAL A 54 6.102 0.620 2.969 1.00 24.35 N ATOM 907 CA VAL A 54 6.053 -0.789 2.568 1.00 74.43 C ATOM 908 C VAL A 54 4.974 -1.042 1.493 1.00 5.55 C ATOM 909 O VAL A 54 3.798 -0.720 1.670 1.00 41.23 O ATOM 910 CB VAL A 54 5.835 -1.718 3.794 1.00 31.11 C ATOM 911 CG1 VAL A 54 4.467 -1.496 4.440 1.00 71.22 C ATOM 912 CG2 VAL A 54 6.033 -3.181 3.407 1.00 31.54 C ATOM 0 H VAL A 54 5.329 0.917 3.564 1.00 24.35 H new ATOM 0 HA VAL A 54 7.021 -1.029 2.128 1.00 74.43 H new ATOM 0 HB VAL A 54 6.586 -1.459 4.540 1.00 31.11 H new ATOM 0 HG11 VAL A 54 4.355 -2.165 5.293 1.00 71.22 H new ATOM 0 HG12 VAL A 54 4.387 -0.462 4.776 1.00 71.22 H new ATOM 0 HG13 VAL A 54 3.683 -1.702 3.712 1.00 71.22 H new ATOM 0 HG21 VAL A 54 5.875 -3.813 4.281 1.00 31.54 H new ATOM 0 HG22 VAL A 54 5.318 -3.452 2.630 1.00 31.54 H new ATOM 0 HG23 VAL A 54 7.047 -3.325 3.034 1.00 31.54 H new ATOM 922 N VAL A 55 5.398 -1.616 0.372 1.00 11.45 N ATOM 923 CA VAL A 55 4.516 -1.856 -0.777 1.00 33.34 C ATOM 924 C VAL A 55 4.162 -3.346 -0.918 1.00 0.02 C ATOM 925 O VAL A 55 5.008 -4.164 -1.276 1.00 41.33 O ATOM 926 CB VAL A 55 5.185 -1.369 -2.089 1.00 71.13 C ATOM 927 CG1 VAL A 55 4.262 -1.572 -3.289 1.00 0.01 C ATOM 928 CG2 VAL A 55 5.609 0.094 -1.968 1.00 43.13 C ATOM 0 H VAL A 55 6.358 -1.929 0.229 1.00 11.45 H new ATOM 0 HA VAL A 55 3.599 -1.294 -0.600 1.00 33.34 H new ATOM 0 HB VAL A 55 6.079 -1.971 -2.253 1.00 71.13 H new ATOM 0 HG11 VAL A 55 4.759 -1.221 -4.194 1.00 0.01 H new ATOM 0 HG12 VAL A 55 4.027 -2.631 -3.392 1.00 0.01 H new ATOM 0 HG13 VAL A 55 3.341 -1.009 -3.139 1.00 0.01 H new ATOM 0 HG21 VAL A 55 6.076 0.416 -2.899 1.00 43.13 H new ATOM 0 HG22 VAL A 55 4.733 0.711 -1.769 1.00 43.13 H new ATOM 0 HG23 VAL A 55 6.321 0.200 -1.149 1.00 43.13 H new ATOM 938 N VAL A 56 2.911 -3.693 -0.641 1.00 30.30 N ATOM 939 CA VAL A 56 2.443 -5.078 -0.774 1.00 5.14 C ATOM 940 C VAL A 56 2.009 -5.384 -2.219 1.00 61.43 C ATOM 941 O VAL A 56 0.962 -4.921 -2.681 1.00 25.33 O ATOM 942 CB VAL A 56 1.266 -5.376 0.192 1.00 63.43 C ATOM 943 CG1 VAL A 56 0.832 -6.841 0.091 1.00 22.13 C ATOM 944 CG2 VAL A 56 1.640 -5.017 1.632 1.00 70.00 C ATOM 0 H VAL A 56 2.197 -3.038 -0.322 1.00 30.30 H new ATOM 0 HA VAL A 56 3.283 -5.721 -0.512 1.00 5.14 H new ATOM 0 HB VAL A 56 0.421 -4.754 -0.104 1.00 63.43 H new ATOM 0 HG11 VAL A 56 0.006 -7.024 0.778 1.00 22.13 H new ATOM 0 HG12 VAL A 56 0.511 -7.056 -0.928 1.00 22.13 H new ATOM 0 HG13 VAL A 56 1.670 -7.488 0.351 1.00 22.13 H new ATOM 0 HG21 VAL A 56 0.800 -5.234 2.291 1.00 70.00 H new ATOM 0 HG22 VAL A 56 2.505 -5.605 1.941 1.00 70.00 H new ATOM 0 HG23 VAL A 56 1.883 -3.956 1.691 1.00 70.00 H new ATOM 954 N VAL A 57 2.828 -6.152 -2.934 1.00 40.15 N ATOM 955 CA VAL A 57 2.532 -6.522 -4.322 1.00 21.14 C ATOM 956 C VAL A 57 1.562 -7.713 -4.378 1.00 45.40 C ATOM 957 O VAL A 57 1.896 -8.820 -3.951 1.00 70.03 O ATOM 958 CB VAL A 57 3.826 -6.873 -5.099 1.00 3.10 C ATOM 959 CG1 VAL A 57 3.532 -7.095 -6.581 1.00 50.33 C ATOM 960 CG2 VAL A 57 4.881 -5.784 -4.909 1.00 11.40 C ATOM 0 H VAL A 57 3.704 -6.532 -2.577 1.00 40.15 H new ATOM 0 HA VAL A 57 2.064 -5.658 -4.793 1.00 21.14 H new ATOM 0 HB VAL A 57 4.222 -7.805 -4.694 1.00 3.10 H new ATOM 0 HG11 VAL A 57 4.457 -7.340 -7.103 1.00 50.33 H new ATOM 0 HG12 VAL A 57 2.824 -7.916 -6.692 1.00 50.33 H new ATOM 0 HG13 VAL A 57 3.104 -6.187 -7.007 1.00 50.33 H new ATOM 0 HG21 VAL A 57 5.782 -6.049 -5.462 1.00 11.40 H new ATOM 0 HG22 VAL A 57 4.494 -4.834 -5.279 1.00 11.40 H new ATOM 0 HG23 VAL A 57 5.120 -5.690 -3.850 1.00 11.40 H new ATOM 970 N VAL A 58 0.364 -7.485 -4.912 1.00 21.33 N ATOM 971 CA VAL A 58 -0.687 -8.508 -4.912 1.00 1.42 C ATOM 972 C VAL A 58 -1.172 -8.867 -6.328 1.00 0.12 C ATOM 973 O VAL A 58 -0.991 -8.105 -7.281 1.00 22.23 O ATOM 974 CB VAL A 58 -1.900 -8.058 -4.058 1.00 54.22 C ATOM 975 CG1 VAL A 58 -1.472 -7.799 -2.615 1.00 71.44 C ATOM 976 CG2 VAL A 58 -2.563 -6.821 -4.657 1.00 11.32 C ATOM 0 H VAL A 58 0.094 -6.604 -5.350 1.00 21.33 H new ATOM 0 HA VAL A 58 -0.237 -9.400 -4.476 1.00 1.42 H new ATOM 0 HB VAL A 58 -2.634 -8.864 -4.060 1.00 54.22 H new ATOM 0 HG11 VAL A 58 -2.336 -7.484 -2.030 1.00 71.44 H new ATOM 0 HG12 VAL A 58 -1.059 -8.713 -2.188 1.00 71.44 H new ATOM 0 HG13 VAL A 58 -0.715 -7.015 -2.595 1.00 71.44 H new ATOM 0 HG21 VAL A 58 -3.411 -6.527 -4.038 1.00 11.32 H new ATOM 0 HG22 VAL A 58 -1.842 -6.005 -4.696 1.00 11.32 H new ATOM 0 HG23 VAL A 58 -2.911 -7.047 -5.665 1.00 11.32 H new ATOM 986 N ASP A 59 -1.780 -10.048 -6.445 1.00 33.40 N ATOM 987 CA ASP A 59 -2.367 -10.521 -7.704 1.00 43.32 C ATOM 988 C ASP A 59 -3.886 -10.743 -7.553 1.00 54.42 C ATOM 989 O ASP A 59 -4.685 -10.252 -8.355 1.00 21.25 O ATOM 990 CB ASP A 59 -1.679 -11.829 -8.141 1.00 33.31 C ATOM 991 CG ASP A 59 -1.899 -12.973 -7.159 1.00 3.11 C ATOM 992 OD1 ASP A 59 -1.695 -12.772 -5.944 1.00 41.51 O ATOM 993 OD2 ASP A 59 -2.307 -14.071 -7.592 1.00 13.21 O ATOM 0 H ASP A 59 -1.881 -10.705 -5.671 1.00 33.40 H new ATOM 0 HA ASP A 59 -2.210 -9.759 -8.468 1.00 43.32 H new ATOM 0 HB2 ASP A 59 -2.055 -12.121 -9.121 1.00 33.31 H new ATOM 0 HB3 ASP A 59 -0.609 -11.652 -8.250 1.00 33.31 H new ATOM 998 N ASP A 60 -4.268 -11.475 -6.505 1.00 21.43 N ATOM 999 CA ASP A 60 -5.667 -11.844 -6.256 1.00 24.43 C ATOM 1000 C ASP A 60 -6.239 -11.081 -5.045 1.00 73.54 C ATOM 1001 O ASP A 60 -5.494 -10.657 -4.157 1.00 74.35 O ATOM 1002 CB ASP A 60 -5.741 -13.357 -6.017 1.00 51.34 C ATOM 1003 CG ASP A 60 -7.156 -13.864 -5.826 1.00 64.54 C ATOM 1004 OD1 ASP A 60 -7.827 -14.165 -6.836 1.00 41.24 O ATOM 1005 OD2 ASP A 60 -7.606 -13.965 -4.668 1.00 53.14 O ATOM 0 H ASP A 60 -3.618 -11.830 -5.804 1.00 21.43 H new ATOM 0 HA ASP A 60 -6.267 -11.574 -7.125 1.00 24.43 H new ATOM 0 HB2 ASP A 60 -5.288 -13.874 -6.863 1.00 51.34 H new ATOM 0 HB3 ASP A 60 -5.150 -13.608 -5.136 1.00 51.34 H new ATOM 1010 N LYS A 61 -7.566 -10.932 -5.007 1.00 32.51 N ATOM 1011 CA LYS A 61 -8.236 -10.185 -3.935 1.00 14.24 C ATOM 1012 C LYS A 61 -7.945 -10.777 -2.544 1.00 14.14 C ATOM 1013 O LYS A 61 -7.729 -10.038 -1.585 1.00 72.22 O ATOM 1014 CB LYS A 61 -9.752 -10.148 -4.169 1.00 11.44 C ATOM 1015 CG LYS A 61 -10.515 -9.393 -3.082 1.00 2.50 C ATOM 1016 CD LYS A 61 -12.025 -9.422 -3.302 1.00 24.03 C ATOM 1017 CE LYS A 61 -12.765 -8.712 -2.175 1.00 23.11 C ATOM 1018 NZ LYS A 61 -14.236 -8.756 -2.365 1.00 33.11 N ATOM 0 H LYS A 61 -8.200 -11.319 -5.706 1.00 32.51 H new ATOM 0 HA LYS A 61 -7.836 -9.171 -3.959 1.00 14.24 H new ATOM 0 HB2 LYS A 61 -9.952 -9.682 -5.134 1.00 11.44 H new ATOM 0 HB3 LYS A 61 -10.129 -11.169 -4.224 1.00 11.44 H new ATOM 0 HG2 LYS A 61 -10.284 -9.829 -2.110 1.00 2.50 H new ATOM 0 HG3 LYS A 61 -10.175 -8.358 -3.056 1.00 2.50 H new ATOM 0 HD2 LYS A 61 -12.265 -8.946 -4.253 1.00 24.03 H new ATOM 0 HD3 LYS A 61 -12.365 -10.456 -3.368 1.00 24.03 H new ATOM 0 HE2 LYS A 61 -12.508 -9.176 -1.223 1.00 23.11 H new ATOM 0 HE3 LYS A 61 -12.437 -7.674 -2.122 1.00 23.11 H new ATOM 0 HZ1 LYS A 61 -14.688 -8.062 -1.736 1.00 33.11 H new ATOM 0 HZ2 LYS A 61 -14.465 -8.529 -3.354 1.00 33.11 H new ATOM 0 HZ3 LYS A 61 -14.587 -9.708 -2.139 1.00 33.11 H new ATOM 1032 N GLU A 62 -7.933 -12.106 -2.441 1.00 42.52 N ATOM 1033 CA GLU A 62 -7.698 -12.773 -1.152 1.00 24.25 C ATOM 1034 C GLU A 62 -6.283 -12.499 -0.619 1.00 72.11 C ATOM 1035 O GLU A 62 -6.097 -12.286 0.580 1.00 55.32 O ATOM 1036 CB GLU A 62 -7.934 -14.284 -1.270 1.00 51.31 C ATOM 1037 CG GLU A 62 -9.368 -14.654 -1.632 1.00 3.21 C ATOM 1038 CD GLU A 62 -9.616 -16.156 -1.597 1.00 70.53 C ATOM 1039 OE1 GLU A 62 -9.236 -16.853 -2.560 1.00 14.21 O ATOM 1040 OE2 GLU A 62 -10.184 -16.649 -0.597 1.00 20.41 O ATOM 0 H GLU A 62 -8.082 -12.741 -3.225 1.00 42.52 H new ATOM 0 HA GLU A 62 -8.411 -12.358 -0.439 1.00 24.25 H new ATOM 0 HB2 GLU A 62 -7.262 -14.690 -2.026 1.00 51.31 H new ATOM 0 HB3 GLU A 62 -7.674 -14.758 -0.324 1.00 51.31 H new ATOM 0 HG2 GLU A 62 -10.051 -14.161 -0.940 1.00 3.21 H new ATOM 0 HG3 GLU A 62 -9.596 -14.276 -2.629 1.00 3.21 H new ATOM 1047 N TRP A 63 -5.291 -12.501 -1.509 1.00 35.01 N ATOM 1048 CA TRP A 63 -3.914 -12.155 -1.131 1.00 25.31 C ATOM 1049 C TRP A 63 -3.821 -10.677 -0.703 1.00 30.30 C ATOM 1050 O TRP A 63 -3.119 -10.337 0.247 1.00 52.13 O ATOM 1051 CB TRP A 63 -2.950 -12.473 -2.292 1.00 73.22 C ATOM 1052 CG TRP A 63 -1.556 -11.913 -2.137 1.00 61.10 C ATOM 1053 CD1 TRP A 63 -0.811 -11.327 -3.118 1.00 75.23 C ATOM 1054 CD2 TRP A 63 -0.739 -11.882 -0.952 1.00 13.31 C ATOM 1055 NE1 TRP A 63 0.399 -10.919 -2.621 1.00 62.44 N ATOM 1056 CE2 TRP A 63 0.471 -11.251 -1.297 1.00 74.05 C ATOM 1057 CE3 TRP A 63 -0.912 -12.324 0.365 1.00 0.11 C ATOM 1058 CZ2 TRP A 63 1.493 -11.043 -0.375 1.00 1.44 C ATOM 1059 CZ3 TRP A 63 0.104 -12.115 1.277 1.00 12.13 C ATOM 1060 CH2 TRP A 63 1.292 -11.484 0.902 1.00 73.10 C ATOM 0 H TRP A 63 -5.411 -12.737 -2.494 1.00 35.01 H new ATOM 0 HA TRP A 63 -3.619 -12.760 -0.274 1.00 25.31 H new ATOM 0 HB2 TRP A 63 -2.880 -13.555 -2.400 1.00 73.22 H new ATOM 0 HB3 TRP A 63 -3.379 -12.087 -3.217 1.00 73.22 H new ATOM 0 HD1 TRP A 63 -1.130 -11.202 -4.142 1.00 75.23 H new ATOM 0 HE1 TRP A 63 1.128 -10.444 -3.153 1.00 62.44 H new ATOM 0 HE3 TRP A 63 -1.824 -12.820 0.663 1.00 0.11 H new ATOM 0 HZ2 TRP A 63 2.411 -10.551 -0.659 1.00 1.44 H new ATOM 0 HZ3 TRP A 63 -0.022 -12.445 2.297 1.00 12.13 H new ATOM 0 HH2 TRP A 63 2.069 -11.342 1.638 1.00 73.10 H new ATOM 1071 N ALA A 64 -4.553 -9.806 -1.392 1.00 60.24 N ATOM 1072 CA ALA A 64 -4.635 -8.397 -1.000 1.00 42.42 C ATOM 1073 C ALA A 64 -5.297 -8.240 0.379 1.00 52.50 C ATOM 1074 O ALA A 64 -4.830 -7.474 1.228 1.00 42.35 O ATOM 1075 CB ALA A 64 -5.396 -7.604 -2.054 1.00 50.21 C ATOM 0 H ALA A 64 -5.096 -10.047 -2.221 1.00 60.24 H new ATOM 0 HA ALA A 64 -3.621 -8.004 -0.927 1.00 42.42 H new ATOM 0 HB1 ALA A 64 -5.451 -6.558 -1.753 1.00 50.21 H new ATOM 0 HB2 ALA A 64 -4.878 -7.679 -3.010 1.00 50.21 H new ATOM 0 HB3 ALA A 64 -6.404 -8.006 -2.154 1.00 50.21 H new ATOM 1081 N GLU A 65 -6.380 -8.982 0.596 1.00 43.22 N ATOM 1082 CA GLU A 65 -7.102 -8.961 1.872 1.00 43.33 C ATOM 1083 C GLU A 65 -6.239 -9.578 2.986 1.00 63.24 C ATOM 1084 O GLU A 65 -6.312 -9.171 4.141 1.00 65.34 O ATOM 1085 CB GLU A 65 -8.434 -9.728 1.735 1.00 21.31 C ATOM 1086 CG GLU A 65 -9.599 -9.145 2.541 1.00 15.22 C ATOM 1087 CD GLU A 65 -9.345 -9.099 4.042 1.00 4.30 C ATOM 1088 OE1 GLU A 65 -9.461 -10.157 4.702 1.00 14.23 O ATOM 1089 OE2 GLU A 65 -9.055 -8.001 4.566 1.00 42.22 O ATOM 0 H GLU A 65 -6.782 -9.611 -0.099 1.00 43.22 H new ATOM 0 HA GLU A 65 -7.318 -7.926 2.138 1.00 43.33 H new ATOM 0 HB2 GLU A 65 -8.716 -9.753 0.682 1.00 21.31 H new ATOM 0 HB3 GLU A 65 -8.276 -10.760 2.047 1.00 21.31 H new ATOM 0 HG2 GLU A 65 -9.805 -8.135 2.186 1.00 15.22 H new ATOM 0 HG3 GLU A 65 -10.493 -9.739 2.351 1.00 15.22 H new ATOM 1096 N LYS A 66 -5.413 -10.558 2.620 1.00 72.41 N ATOM 1097 CA LYS A 66 -4.492 -11.204 3.565 1.00 12.32 C ATOM 1098 C LYS A 66 -3.647 -10.162 4.320 1.00 72.42 C ATOM 1099 O LYS A 66 -3.351 -10.319 5.509 1.00 2.14 O ATOM 1100 CB LYS A 66 -3.578 -12.178 2.804 1.00 42.33 C ATOM 1101 CG LYS A 66 -2.681 -13.037 3.692 1.00 24.21 C ATOM 1102 CD LYS A 66 -3.498 -13.940 4.610 1.00 14.22 C ATOM 1103 CE LYS A 66 -2.623 -14.945 5.352 1.00 53.44 C ATOM 1104 NZ LYS A 66 -3.411 -15.749 6.322 1.00 45.42 N ATOM 0 H LYS A 66 -5.360 -10.926 1.670 1.00 72.41 H new ATOM 0 HA LYS A 66 -5.079 -11.753 4.301 1.00 12.32 H new ATOM 0 HB2 LYS A 66 -4.198 -12.835 2.194 1.00 42.33 H new ATOM 0 HB3 LYS A 66 -2.950 -11.607 2.121 1.00 42.33 H new ATOM 0 HG2 LYS A 66 -2.028 -13.647 3.068 1.00 24.21 H new ATOM 0 HG3 LYS A 66 -2.038 -12.393 4.292 1.00 24.21 H new ATOM 0 HD2 LYS A 66 -4.039 -13.328 5.332 1.00 14.22 H new ATOM 0 HD3 LYS A 66 -4.244 -14.474 4.022 1.00 14.22 H new ATOM 0 HE2 LYS A 66 -2.143 -15.610 4.634 1.00 53.44 H new ATOM 0 HE3 LYS A 66 -1.828 -14.417 5.878 1.00 53.44 H new ATOM 0 HZ1 LYS A 66 -2.783 -16.421 6.807 1.00 45.42 H new ATOM 0 HZ2 LYS A 66 -3.849 -15.117 7.022 1.00 45.42 H new ATOM 0 HZ3 LYS A 66 -4.154 -16.273 5.816 1.00 45.42 H new ATOM 1118 N ALA A 67 -3.271 -9.096 3.616 1.00 23.24 N ATOM 1119 CA ALA A 67 -2.522 -7.987 4.213 1.00 71.22 C ATOM 1120 C ALA A 67 -3.439 -7.062 5.032 1.00 4.54 C ATOM 1121 O ALA A 67 -3.142 -6.733 6.183 1.00 74.53 O ATOM 1122 CB ALA A 67 -1.805 -7.196 3.121 1.00 74.11 C ATOM 0 H ALA A 67 -3.474 -8.975 2.624 1.00 23.24 H new ATOM 0 HA ALA A 67 -1.784 -8.407 4.896 1.00 71.22 H new ATOM 0 HB1 ALA A 67 -1.250 -6.373 3.572 1.00 74.11 H new ATOM 0 HB2 ALA A 67 -1.114 -7.852 2.591 1.00 74.11 H new ATOM 0 HB3 ALA A 67 -2.538 -6.798 2.419 1.00 74.11 H new ATOM 1128 N ILE A 68 -4.561 -6.655 4.435 1.00 41.32 N ATOM 1129 CA ILE A 68 -5.501 -5.728 5.084 1.00 22.43 C ATOM 1130 C ILE A 68 -6.068 -6.308 6.394 1.00 13.22 C ATOM 1131 O ILE A 68 -6.104 -5.627 7.423 1.00 35.51 O ATOM 1132 CB ILE A 68 -6.670 -5.358 4.134 1.00 4.55 C ATOM 1133 CG1 ILE A 68 -6.128 -4.753 2.826 1.00 42.11 C ATOM 1134 CG2 ILE A 68 -7.640 -4.390 4.815 1.00 73.14 C ATOM 1135 CD1 ILE A 68 -5.324 -3.480 3.013 1.00 51.13 C ATOM 0 H ILE A 68 -4.845 -6.951 3.501 1.00 41.32 H new ATOM 0 HA ILE A 68 -4.935 -4.827 5.322 1.00 22.43 H new ATOM 0 HB ILE A 68 -7.217 -6.270 3.893 1.00 4.55 H new ATOM 0 HG12 ILE A 68 -5.502 -5.494 2.328 1.00 42.11 H new ATOM 0 HG13 ILE A 68 -6.966 -4.545 2.161 1.00 42.11 H new ATOM 0 HG21 ILE A 68 -8.451 -4.145 4.129 1.00 73.14 H new ATOM 0 HG22 ILE A 68 -8.050 -4.856 5.711 1.00 73.14 H new ATOM 0 HG23 ILE A 68 -7.110 -3.478 5.091 1.00 73.14 H new ATOM 0 HD11 ILE A 68 -4.980 -3.121 2.043 1.00 51.13 H new ATOM 0 HD12 ILE A 68 -5.950 -2.720 3.480 1.00 51.13 H new ATOM 0 HD13 ILE A 68 -4.463 -3.683 3.650 1.00 51.13 H new ATOM 1147 N ARG A 69 -6.521 -7.559 6.345 1.00 42.05 N ATOM 1148 CA ARG A 69 -6.975 -8.272 7.543 1.00 20.12 C ATOM 1149 C ARG A 69 -5.912 -8.238 8.649 1.00 52.40 C ATOM 1150 O ARG A 69 -6.216 -7.948 9.807 1.00 13.23 O ATOM 1151 CB ARG A 69 -7.314 -9.729 7.199 1.00 24.32 C ATOM 1152 CG ARG A 69 -7.616 -10.596 8.416 1.00 64.35 C ATOM 1153 CD ARG A 69 -7.952 -12.031 8.024 1.00 41.52 C ATOM 1154 NE ARG A 69 -9.215 -12.129 7.290 1.00 73.55 N ATOM 1155 CZ ARG A 69 -10.117 -13.054 7.513 1.00 40.41 C ATOM 1156 NH1 ARG A 69 -9.912 -13.969 8.405 1.00 23.30 N ATOM 1157 NH2 ARG A 69 -11.218 -13.066 6.839 1.00 45.34 N ATOM 0 H ARG A 69 -6.585 -8.104 5.485 1.00 42.05 H new ATOM 0 HA ARG A 69 -7.869 -7.768 7.910 1.00 20.12 H new ATOM 0 HB2 ARG A 69 -8.176 -9.744 6.532 1.00 24.32 H new ATOM 0 HB3 ARG A 69 -6.479 -10.167 6.651 1.00 24.32 H new ATOM 0 HG2 ARG A 69 -6.755 -10.595 9.085 1.00 64.35 H new ATOM 0 HG3 ARG A 69 -8.451 -10.166 8.970 1.00 64.35 H new ATOM 0 HD2 ARG A 69 -7.147 -12.435 7.411 1.00 41.52 H new ATOM 0 HD3 ARG A 69 -8.008 -12.646 8.922 1.00 41.52 H new ATOM 0 HE ARG A 69 -9.404 -11.438 6.564 1.00 73.55 H new ATOM 0 HH11 ARG A 69 -9.044 -13.974 8.940 1.00 23.30 H new ATOM 0 HH12 ARG A 69 -10.619 -14.685 8.573 1.00 23.30 H new ATOM 0 HH21 ARG A 69 -11.389 -12.354 6.129 1.00 45.34 H new ATOM 0 HH22 ARG A 69 -11.917 -13.788 7.016 1.00 45.34 H new ATOM 1171 N PHE A 70 -4.663 -8.532 8.282 1.00 50.13 N ATOM 1172 CA PHE A 70 -3.549 -8.501 9.237 1.00 0.10 C ATOM 1173 C PHE A 70 -3.418 -7.111 9.883 1.00 73.41 C ATOM 1174 O PHE A 70 -3.259 -6.990 11.098 1.00 54.31 O ATOM 1175 CB PHE A 70 -2.235 -8.893 8.543 1.00 73.22 C ATOM 1176 CG PHE A 70 -1.033 -8.852 9.454 1.00 62.12 C ATOM 1177 CD1 PHE A 70 -0.968 -9.672 10.572 1.00 22.21 C ATOM 1178 CD2 PHE A 70 0.027 -7.996 9.193 1.00 14.43 C ATOM 1179 CE1 PHE A 70 0.129 -9.638 11.410 1.00 43.44 C ATOM 1180 CE2 PHE A 70 1.126 -7.959 10.028 1.00 44.12 C ATOM 1181 CZ PHE A 70 1.178 -8.780 11.138 1.00 1.13 C ATOM 0 H PHE A 70 -4.396 -8.794 7.333 1.00 50.13 H new ATOM 0 HA PHE A 70 -3.758 -9.225 10.025 1.00 0.10 H new ATOM 0 HB2 PHE A 70 -2.336 -9.898 8.134 1.00 73.22 H new ATOM 0 HB3 PHE A 70 -2.065 -8.222 7.701 1.00 73.22 H new ATOM 0 HD1 PHE A 70 -1.785 -10.344 10.789 1.00 22.21 H new ATOM 0 HD2 PHE A 70 -0.008 -7.351 8.327 1.00 14.43 H new ATOM 0 HE1 PHE A 70 0.167 -10.281 12.277 1.00 43.44 H new ATOM 0 HE2 PHE A 70 1.945 -7.288 9.813 1.00 44.12 H new ATOM 0 HZ PHE A 70 2.037 -8.751 11.792 1.00 1.13 H new ATOM 1191 N VAL A 71 -3.500 -6.067 9.058 1.00 3.43 N ATOM 1192 CA VAL A 71 -3.476 -4.682 9.545 1.00 13.55 C ATOM 1193 C VAL A 71 -4.600 -4.436 10.566 1.00 25.13 C ATOM 1194 O VAL A 71 -4.377 -3.847 11.627 1.00 15.14 O ATOM 1195 CB VAL A 71 -3.609 -3.671 8.378 1.00 74.02 C ATOM 1196 CG1 VAL A 71 -3.646 -2.235 8.896 1.00 52.24 C ATOM 1197 CG2 VAL A 71 -2.471 -3.855 7.374 1.00 54.53 C ATOM 0 H VAL A 71 -3.584 -6.152 8.045 1.00 3.43 H new ATOM 0 HA VAL A 71 -2.513 -4.531 10.032 1.00 13.55 H new ATOM 0 HB VAL A 71 -4.552 -3.867 7.868 1.00 74.02 H new ATOM 0 HG11 VAL A 71 -3.740 -1.547 8.056 1.00 52.24 H new ATOM 0 HG12 VAL A 71 -4.499 -2.111 9.563 1.00 52.24 H new ATOM 0 HG13 VAL A 71 -2.726 -2.020 9.439 1.00 52.24 H new ATOM 0 HG21 VAL A 71 -2.582 -3.136 6.562 1.00 54.53 H new ATOM 0 HG22 VAL A 71 -1.516 -3.694 7.873 1.00 54.53 H new ATOM 0 HG23 VAL A 71 -2.503 -4.867 6.970 1.00 54.53 H new ATOM 1207 N LYS A 72 -5.808 -4.902 10.247 1.00 74.22 N ATOM 1208 CA LYS A 72 -6.943 -4.798 11.170 1.00 74.04 C ATOM 1209 C LYS A 72 -6.687 -5.611 12.452 1.00 10.21 C ATOM 1210 O LYS A 72 -7.075 -5.201 13.548 1.00 74.42 O ATOM 1211 CB LYS A 72 -8.238 -5.272 10.493 1.00 23.52 C ATOM 1212 CG LYS A 72 -9.478 -5.132 11.376 1.00 31.24 C ATOM 1213 CD LYS A 72 -9.742 -3.676 11.758 1.00 21.24 C ATOM 1214 CE LYS A 72 -10.864 -3.552 12.782 1.00 73.13 C ATOM 1215 NZ LYS A 72 -11.175 -2.131 13.096 1.00 44.40 N ATOM 0 H LYS A 72 -6.027 -5.354 9.359 1.00 74.22 H new ATOM 0 HA LYS A 72 -7.055 -3.749 11.444 1.00 74.04 H new ATOM 0 HB2 LYS A 72 -8.389 -4.701 9.577 1.00 23.52 H new ATOM 0 HB3 LYS A 72 -8.125 -6.317 10.203 1.00 23.52 H new ATOM 0 HG2 LYS A 72 -10.345 -5.533 10.851 1.00 31.24 H new ATOM 0 HG3 LYS A 72 -9.349 -5.727 12.280 1.00 31.24 H new ATOM 0 HD2 LYS A 72 -8.831 -3.236 12.163 1.00 21.24 H new ATOM 0 HD3 LYS A 72 -10.001 -3.107 10.865 1.00 21.24 H new ATOM 0 HE2 LYS A 72 -11.759 -4.044 12.401 1.00 73.13 H new ATOM 0 HE3 LYS A 72 -10.580 -4.072 13.697 1.00 73.13 H new ATOM 0 HZ1 LYS A 72 -12.200 -2.022 13.234 1.00 44.40 H new ATOM 0 HZ2 LYS A 72 -10.677 -1.851 13.965 1.00 44.40 H new ATOM 0 HZ3 LYS A 72 -10.865 -1.526 12.309 1.00 44.40 H new ATOM 1229 N SER A 73 -6.018 -6.753 12.303 1.00 30.14 N ATOM 1230 CA SER A 73 -5.672 -7.611 13.447 1.00 72.41 C ATOM 1231 C SER A 73 -4.620 -6.949 14.352 1.00 42.14 C ATOM 1232 O SER A 73 -4.372 -7.406 15.470 1.00 25.31 O ATOM 1233 CB SER A 73 -5.165 -8.978 12.961 1.00 3.54 C ATOM 1234 OG SER A 73 -6.162 -9.664 12.215 1.00 24.21 O ATOM 0 H SER A 73 -5.702 -7.111 11.402 1.00 30.14 H new ATOM 0 HA SER A 73 -6.578 -7.756 14.035 1.00 72.41 H new ATOM 0 HB2 SER A 73 -4.277 -8.840 12.344 1.00 3.54 H new ATOM 0 HB3 SER A 73 -4.868 -9.583 13.817 1.00 3.54 H new ATOM 0 HG SER A 73 -6.305 -9.206 11.361 1.00 24.21 H new ATOM 1240 N LEU A 74 -3.996 -5.882 13.857 1.00 72.24 N ATOM 1241 CA LEU A 74 -3.076 -5.068 14.667 1.00 64.35 C ATOM 1242 C LEU A 74 -3.854 -4.056 15.523 1.00 71.42 C ATOM 1243 O LEU A 74 -3.594 -3.901 16.716 1.00 12.22 O ATOM 1244 CB LEU A 74 -2.090 -4.316 13.761 1.00 75.22 C ATOM 1245 CG LEU A 74 -1.228 -5.193 12.843 1.00 64.15 C ATOM 1246 CD1 LEU A 74 -0.431 -4.322 11.876 1.00 71.54 C ATOM 1247 CD2 LEU A 74 -0.297 -6.087 13.661 1.00 63.03 C ATOM 0 H LEU A 74 -4.108 -5.556 12.897 1.00 72.24 H new ATOM 0 HA LEU A 74 -2.524 -5.739 15.325 1.00 64.35 H new ATOM 0 HB2 LEU A 74 -2.654 -3.618 13.142 1.00 75.22 H new ATOM 0 HB3 LEU A 74 -1.428 -3.721 14.390 1.00 75.22 H new ATOM 0 HG LEU A 74 -1.888 -5.839 12.264 1.00 64.15 H new ATOM 0 HD11 LEU A 74 0.176 -4.957 11.231 1.00 71.54 H new ATOM 0 HD12 LEU A 74 -1.117 -3.734 11.266 1.00 71.54 H new ATOM 0 HD13 LEU A 74 0.218 -3.652 12.440 1.00 71.54 H new ATOM 0 HD21 LEU A 74 0.304 -6.699 12.988 1.00 63.03 H new ATOM 0 HD22 LEU A 74 0.360 -5.467 14.271 1.00 63.03 H new ATOM 0 HD23 LEU A 74 -0.889 -6.734 14.308 1.00 63.03 H new ATOM 1259 N GLY A 75 -4.799 -3.354 14.895 1.00 43.00 N ATOM 1260 CA GLY A 75 -5.618 -2.371 15.604 1.00 73.14 C ATOM 1261 C GLY A 75 -5.220 -0.930 15.303 1.00 30.24 C ATOM 1262 O GLY A 75 -6.080 -0.074 15.079 1.00 33.32 O ATOM 0 H GLY A 75 -5.015 -3.447 13.902 1.00 43.00 H new ATOM 0 HA2 GLY A 75 -6.664 -2.516 15.334 1.00 73.14 H new ATOM 0 HA3 GLY A 75 -5.538 -2.547 16.677 1.00 73.14 H new ATOM 1266 N ALA A 76 -3.913 -0.669 15.294 1.00 61.33 N ATOM 1267 CA ALA A 76 -3.369 0.672 15.025 1.00 32.22 C ATOM 1268 C ALA A 76 -3.853 1.239 13.680 1.00 71.42 C ATOM 1269 O ALA A 76 -3.746 0.576 12.650 1.00 4.21 O ATOM 1270 CB ALA A 76 -1.847 0.619 15.035 1.00 1.14 C ATOM 0 H ALA A 76 -3.199 -1.375 15.472 1.00 61.33 H new ATOM 0 HA ALA A 76 -3.731 1.334 15.812 1.00 32.22 H new ATOM 0 HB1 ALA A 76 -1.447 1.613 14.836 1.00 1.14 H new ATOM 0 HB2 ALA A 76 -1.501 0.278 16.011 1.00 1.14 H new ATOM 0 HB3 ALA A 76 -1.502 -0.072 14.266 1.00 1.14 H new ATOM 1276 N GLN A 77 -4.355 2.475 13.689 1.00 3.13 N ATOM 1277 CA GLN A 77 -4.835 3.108 12.455 1.00 51.33 C ATOM 1278 C GLN A 77 -3.657 3.534 11.562 1.00 34.21 C ATOM 1279 O GLN A 77 -2.787 4.307 11.973 1.00 31.42 O ATOM 1280 CB GLN A 77 -5.754 4.307 12.761 1.00 35.13 C ATOM 1281 CG GLN A 77 -5.088 5.448 13.523 1.00 54.43 C ATOM 1282 CD GLN A 77 -6.054 6.579 13.836 1.00 61.54 C ATOM 1283 OE1 GLN A 77 -6.701 6.588 14.880 1.00 35.21 O ATOM 1284 NE2 GLN A 77 -6.172 7.539 12.939 1.00 41.43 N ATOM 0 H GLN A 77 -4.440 3.053 14.525 1.00 3.13 H new ATOM 0 HA GLN A 77 -5.424 2.369 11.911 1.00 51.33 H new ATOM 0 HB2 GLN A 77 -6.144 4.696 11.821 1.00 35.13 H new ATOM 0 HB3 GLN A 77 -6.608 3.953 13.339 1.00 35.13 H new ATOM 0 HG2 GLN A 77 -4.669 5.064 14.453 1.00 54.43 H new ATOM 0 HG3 GLN A 77 -4.256 5.837 12.935 1.00 54.43 H new ATOM 0 HE21 GLN A 77 -5.622 7.505 12.081 1.00 41.43 H new ATOM 0 HE22 GLN A 77 -6.813 8.315 13.104 1.00 41.43 H new ATOM 1293 N VAL A 78 -3.625 3.007 10.344 1.00 53.43 N ATOM 1294 CA VAL A 78 -2.533 3.282 9.405 1.00 63.14 C ATOM 1295 C VAL A 78 -3.060 3.847 8.076 1.00 22.31 C ATOM 1296 O VAL A 78 -4.253 3.751 7.777 1.00 72.54 O ATOM 1297 CB VAL A 78 -1.709 1.998 9.128 1.00 23.33 C ATOM 1298 CG1 VAL A 78 -1.160 1.413 10.431 1.00 23.34 C ATOM 1299 CG2 VAL A 78 -2.556 0.964 8.392 1.00 10.44 C ATOM 0 H VAL A 78 -4.344 2.383 9.978 1.00 53.43 H new ATOM 0 HA VAL A 78 -1.891 4.030 9.870 1.00 63.14 H new ATOM 0 HB VAL A 78 -0.865 2.267 8.493 1.00 23.33 H new ATOM 0 HG11 VAL A 78 -0.585 0.513 10.212 1.00 23.34 H new ATOM 0 HG12 VAL A 78 -0.515 2.146 10.916 1.00 23.34 H new ATOM 0 HG13 VAL A 78 -1.988 1.163 11.095 1.00 23.34 H new ATOM 0 HG21 VAL A 78 -1.960 0.070 8.207 1.00 10.44 H new ATOM 0 HG22 VAL A 78 -3.422 0.703 9.001 1.00 10.44 H new ATOM 0 HG23 VAL A 78 -2.892 1.379 7.442 1.00 10.44 H new ATOM 1309 N LEU A 79 -2.165 4.435 7.285 1.00 41.03 N ATOM 1310 CA LEU A 79 -2.532 5.002 5.983 1.00 35.21 C ATOM 1311 C LEU A 79 -2.234 4.002 4.856 1.00 73.11 C ATOM 1312 O LEU A 79 -1.115 3.503 4.732 1.00 71.14 O ATOM 1313 CB LEU A 79 -1.774 6.319 5.755 1.00 72.53 C ATOM 1314 CG LEU A 79 -2.119 7.078 4.462 1.00 63.21 C ATOM 1315 CD1 LEU A 79 -3.618 7.353 4.374 1.00 63.45 C ATOM 1316 CD2 LEU A 79 -1.335 8.385 4.391 1.00 0.44 C ATOM 0 H LEU A 79 -1.178 4.533 7.521 1.00 41.03 H new ATOM 0 HA LEU A 79 -3.602 5.208 5.977 1.00 35.21 H new ATOM 0 HB2 LEU A 79 -1.966 6.978 6.602 1.00 72.53 H new ATOM 0 HB3 LEU A 79 -0.705 6.105 5.754 1.00 72.53 H new ATOM 0 HG LEU A 79 -1.838 6.453 3.615 1.00 63.21 H new ATOM 0 HD11 LEU A 79 -3.836 7.890 3.451 1.00 63.45 H new ATOM 0 HD12 LEU A 79 -4.162 6.409 4.381 1.00 63.45 H new ATOM 0 HD13 LEU A 79 -3.928 7.957 5.227 1.00 63.45 H new ATOM 0 HD21 LEU A 79 -1.589 8.912 3.471 1.00 0.44 H new ATOM 0 HD22 LEU A 79 -1.589 9.009 5.248 1.00 0.44 H new ATOM 0 HD23 LEU A 79 -0.267 8.169 4.403 1.00 0.44 H new ATOM 1328 N ILE A 80 -3.243 3.704 4.041 1.00 24.24 N ATOM 1329 CA ILE A 80 -3.113 2.697 2.981 1.00 24.54 C ATOM 1330 C ILE A 80 -3.426 3.278 1.592 1.00 32.43 C ATOM 1331 O ILE A 80 -4.384 4.029 1.422 1.00 65.24 O ATOM 1332 CB ILE A 80 -4.053 1.489 3.250 1.00 71.23 C ATOM 1333 CG1 ILE A 80 -3.758 0.876 4.632 1.00 24.55 C ATOM 1334 CG2 ILE A 80 -3.914 0.434 2.148 1.00 52.45 C ATOM 1335 CD1 ILE A 80 -4.697 -0.249 5.019 1.00 21.15 C ATOM 0 H ILE A 80 -4.162 4.144 4.091 1.00 24.24 H new ATOM 0 HA ILE A 80 -2.075 2.365 2.990 1.00 24.54 H new ATOM 0 HB ILE A 80 -5.082 1.848 3.245 1.00 71.23 H new ATOM 0 HG12 ILE A 80 -2.735 0.501 4.641 1.00 24.55 H new ATOM 0 HG13 ILE A 80 -3.817 1.661 5.386 1.00 24.55 H new ATOM 0 HG21 ILE A 80 -4.581 -0.402 2.358 1.00 52.45 H new ATOM 0 HG22 ILE A 80 -4.177 0.875 1.187 1.00 52.45 H new ATOM 0 HG23 ILE A 80 -2.885 0.077 2.114 1.00 52.45 H new ATOM 0 HD11 ILE A 80 -4.424 -0.628 6.004 1.00 21.15 H new ATOM 0 HD12 ILE A 80 -5.721 0.124 5.044 1.00 21.15 H new ATOM 0 HD13 ILE A 80 -4.622 -1.053 4.287 1.00 21.15 H new ATOM 1347 N ILE A 81 -2.604 2.929 0.604 1.00 61.14 N ATOM 1348 CA ILE A 81 -2.850 3.309 -0.796 1.00 44.32 C ATOM 1349 C ILE A 81 -2.995 2.056 -1.671 1.00 44.13 C ATOM 1350 O ILE A 81 -2.140 1.175 -1.645 1.00 71.43 O ATOM 1351 CB ILE A 81 -1.708 4.196 -1.363 1.00 54.44 C ATOM 1352 CG1 ILE A 81 -1.565 5.484 -0.534 1.00 51.22 C ATOM 1353 CG2 ILE A 81 -1.960 4.523 -2.838 1.00 12.12 C ATOM 1354 CD1 ILE A 81 -0.512 6.438 -1.061 1.00 54.13 C ATOM 0 H ILE A 81 -1.755 2.380 0.743 1.00 61.14 H new ATOM 0 HA ILE A 81 -3.775 3.885 -0.815 1.00 44.32 H new ATOM 0 HB ILE A 81 -0.773 3.640 -1.295 1.00 54.44 H new ATOM 0 HG12 ILE A 81 -2.526 5.997 -0.509 1.00 51.22 H new ATOM 0 HG13 ILE A 81 -1.319 5.218 0.494 1.00 51.22 H new ATOM 0 HG21 ILE A 81 -1.149 5.145 -3.216 1.00 12.12 H new ATOM 0 HG22 ILE A 81 -2.007 3.598 -3.413 1.00 12.12 H new ATOM 0 HG23 ILE A 81 -2.904 5.059 -2.936 1.00 12.12 H new ATOM 0 HD11 ILE A 81 -0.470 7.322 -0.424 1.00 54.13 H new ATOM 0 HD12 ILE A 81 0.460 5.944 -1.060 1.00 54.13 H new ATOM 0 HD13 ILE A 81 -0.767 6.735 -2.078 1.00 54.13 H new ATOM 1366 N ILE A 82 -4.074 1.974 -2.446 1.00 61.24 N ATOM 1367 CA ILE A 82 -4.331 0.795 -3.281 1.00 41.52 C ATOM 1368 C ILE A 82 -4.290 1.132 -4.780 1.00 32.14 C ATOM 1369 O ILE A 82 -5.032 1.993 -5.262 1.00 23.42 O ATOM 1370 CB ILE A 82 -5.699 0.149 -2.939 1.00 70.20 C ATOM 1371 CG1 ILE A 82 -5.748 -0.255 -1.455 1.00 24.40 C ATOM 1372 CG2 ILE A 82 -5.961 -1.062 -3.836 1.00 25.24 C ATOM 1373 CD1 ILE A 82 -7.056 -0.891 -1.032 1.00 60.44 C ATOM 0 H ILE A 82 -4.783 2.704 -2.516 1.00 61.24 H new ATOM 0 HA ILE A 82 -3.534 0.084 -3.063 1.00 41.52 H new ATOM 0 HB ILE A 82 -6.482 0.885 -3.121 1.00 70.20 H new ATOM 0 HG12 ILE A 82 -4.935 -0.952 -1.252 1.00 24.40 H new ATOM 0 HG13 ILE A 82 -5.571 0.629 -0.842 1.00 24.40 H new ATOM 0 HG21 ILE A 82 -6.925 -1.502 -3.581 1.00 25.24 H new ATOM 0 HG22 ILE A 82 -5.970 -0.747 -4.879 1.00 25.24 H new ATOM 0 HG23 ILE A 82 -5.174 -1.802 -3.688 1.00 25.24 H new ATOM 0 HD11 ILE A 82 -7.011 -1.147 0.027 1.00 60.44 H new ATOM 0 HD12 ILE A 82 -7.873 -0.190 -1.201 1.00 60.44 H new ATOM 0 HD13 ILE A 82 -7.227 -1.795 -1.617 1.00 60.44 H new ATOM 1385 N TYR A 83 -3.407 0.449 -5.502 1.00 32.40 N ATOM 1386 CA TYR A 83 -3.298 0.575 -6.960 1.00 34.25 C ATOM 1387 C TYR A 83 -4.017 -0.582 -7.670 1.00 54.24 C ATOM 1388 O TYR A 83 -3.734 -1.751 -7.406 1.00 3.42 O ATOM 1389 CB TYR A 83 -1.815 0.599 -7.379 1.00 3.13 C ATOM 1390 CG TYR A 83 -1.588 0.321 -8.862 1.00 32.21 C ATOM 1391 CD1 TYR A 83 -1.706 1.330 -9.811 1.00 11.14 C ATOM 1392 CD2 TYR A 83 -1.266 -0.961 -9.306 1.00 64.33 C ATOM 1393 CE1 TYR A 83 -1.511 1.068 -11.157 1.00 32.14 C ATOM 1394 CE2 TYR A 83 -1.075 -1.228 -10.647 1.00 60.02 C ATOM 1395 CZ TYR A 83 -1.196 -0.212 -11.568 1.00 12.11 C ATOM 1396 OH TYR A 83 -1.011 -0.483 -12.906 1.00 54.55 O ATOM 0 H TYR A 83 -2.743 -0.210 -5.096 1.00 32.40 H new ATOM 0 HA TYR A 83 -3.775 1.510 -7.255 1.00 34.25 H new ATOM 0 HB2 TYR A 83 -1.394 1.574 -7.133 1.00 3.13 H new ATOM 0 HB3 TYR A 83 -1.270 -0.141 -6.793 1.00 3.13 H new ATOM 0 HD1 TYR A 83 -1.953 2.332 -9.494 1.00 11.14 H new ATOM 0 HD2 TYR A 83 -1.164 -1.760 -8.587 1.00 64.33 H new ATOM 0 HE1 TYR A 83 -1.605 1.862 -11.883 1.00 32.14 H new ATOM 0 HE2 TYR A 83 -0.832 -2.229 -10.972 1.00 60.02 H new ATOM 0 HH TYR A 83 -0.168 -0.967 -13.028 1.00 54.55 H new ATOM 1406 N ASP A 84 -4.928 -0.249 -8.579 1.00 51.04 N ATOM 1407 CA ASP A 84 -5.596 -1.250 -9.418 1.00 61.40 C ATOM 1408 C ASP A 84 -6.057 -0.632 -10.748 1.00 41.23 C ATOM 1409 O ASP A 84 -6.248 0.583 -10.856 1.00 21.45 O ATOM 1410 CB ASP A 84 -6.780 -1.884 -8.674 1.00 63.03 C ATOM 1411 CG ASP A 84 -7.479 -2.963 -9.493 1.00 2.23 C ATOM 1412 OD1 ASP A 84 -6.778 -3.801 -10.109 1.00 32.22 O ATOM 1413 OD2 ASP A 84 -8.723 -2.965 -9.541 1.00 34.03 O ATOM 0 H ASP A 84 -5.225 0.710 -8.757 1.00 51.04 H new ATOM 0 HA ASP A 84 -4.875 -2.036 -9.642 1.00 61.40 H new ATOM 0 HB2 ASP A 84 -6.426 -2.316 -7.738 1.00 63.03 H new ATOM 0 HB3 ASP A 84 -7.499 -1.107 -8.415 1.00 63.03 H new ATOM 1418 N GLN A 85 -6.223 -1.480 -11.756 1.00 74.35 N ATOM 1419 CA GLN A 85 -6.585 -1.033 -13.106 1.00 43.55 C ATOM 1420 C GLN A 85 -8.072 -1.272 -13.410 1.00 20.12 C ATOM 1421 O GLN A 85 -8.694 -0.519 -14.167 1.00 53.21 O ATOM 1422 CB GLN A 85 -5.718 -1.773 -14.132 1.00 42.33 C ATOM 1423 CG GLN A 85 -4.227 -1.454 -14.028 1.00 70.14 C ATOM 1424 CD GLN A 85 -3.363 -2.382 -14.866 1.00 3.31 C ATOM 1425 OE1 GLN A 85 -3.800 -2.913 -15.882 1.00 12.14 O ATOM 1426 NE2 GLN A 85 -2.125 -2.574 -14.457 1.00 11.41 N ATOM 0 H GLN A 85 -6.113 -2.490 -11.668 1.00 74.35 H new ATOM 0 HA GLN A 85 -6.408 0.041 -13.166 1.00 43.55 H new ATOM 0 HB2 GLN A 85 -5.860 -2.846 -14.006 1.00 42.33 H new ATOM 0 HB3 GLN A 85 -6.064 -1.521 -15.134 1.00 42.33 H new ATOM 0 HG2 GLN A 85 -4.058 -0.425 -14.344 1.00 70.14 H new ATOM 0 HG3 GLN A 85 -3.918 -1.522 -12.985 1.00 70.14 H new ATOM 0 HE21 GLN A 85 -1.792 -2.118 -13.608 1.00 11.41 H new ATOM 0 HE22 GLN A 85 -1.500 -3.179 -14.990 1.00 11.41 H new ATOM 1435 N ASP A 86 -8.636 -2.325 -12.826 1.00 55.50 N ATOM 1436 CA ASP A 86 -10.029 -2.694 -13.069 1.00 24.02 C ATOM 1437 C ASP A 86 -10.931 -2.227 -11.915 1.00 33.05 C ATOM 1438 O ASP A 86 -11.114 -2.938 -10.929 1.00 23.41 O ATOM 1439 CB ASP A 86 -10.133 -4.210 -13.270 1.00 13.23 C ATOM 1440 CG ASP A 86 -9.314 -4.683 -14.461 1.00 72.23 C ATOM 1441 OD1 ASP A 86 -9.852 -4.707 -15.586 1.00 23.23 O ATOM 1442 OD2 ASP A 86 -8.127 -5.027 -14.285 1.00 52.22 O ATOM 0 H ASP A 86 -8.147 -2.942 -12.177 1.00 55.50 H new ATOM 0 HA ASP A 86 -10.373 -2.195 -13.975 1.00 24.02 H new ATOM 0 HB2 ASP A 86 -9.791 -4.720 -12.369 1.00 13.23 H new ATOM 0 HB3 ASP A 86 -11.177 -4.486 -13.415 1.00 13.23 H new ATOM 1447 N GLN A 87 -11.511 -1.031 -12.068 1.00 73.52 N ATOM 1448 CA GLN A 87 -12.277 -0.372 -10.992 1.00 11.24 C ATOM 1449 C GLN A 87 -13.286 -1.311 -10.302 1.00 44.43 C ATOM 1450 O GLN A 87 -13.625 -1.108 -9.138 1.00 23.50 O ATOM 1451 CB GLN A 87 -13.008 0.866 -11.534 1.00 63.13 C ATOM 1452 CG GLN A 87 -12.089 1.923 -12.144 1.00 41.21 C ATOM 1453 CD GLN A 87 -10.990 2.370 -11.196 1.00 52.33 C ATOM 1454 OE1 GLN A 87 -9.898 1.822 -11.195 1.00 51.13 O ATOM 1455 NE2 GLN A 87 -11.268 3.365 -10.375 1.00 21.42 N ATOM 0 H GLN A 87 -11.466 -0.492 -12.933 1.00 73.52 H new ATOM 0 HA GLN A 87 -11.549 -0.074 -10.237 1.00 11.24 H new ATOM 0 HB2 GLN A 87 -13.727 0.547 -12.289 1.00 63.13 H new ATOM 0 HB3 GLN A 87 -13.577 1.321 -10.723 1.00 63.13 H new ATOM 0 HG2 GLN A 87 -11.638 1.524 -13.053 1.00 41.21 H new ATOM 0 HG3 GLN A 87 -12.683 2.788 -12.437 1.00 41.21 H new ATOM 0 HE21 GLN A 87 -12.189 3.803 -10.398 1.00 21.42 H new ATOM 0 HE22 GLN A 87 -10.562 3.696 -9.717 1.00 21.42 H new ATOM 1464 N ASN A 88 -13.764 -2.329 -11.018 1.00 71.15 N ATOM 1465 CA ASN A 88 -14.660 -3.338 -10.430 1.00 74.11 C ATOM 1466 C ASN A 88 -14.034 -3.952 -9.160 1.00 24.23 C ATOM 1467 O ASN A 88 -14.690 -4.076 -8.121 1.00 10.22 O ATOM 1468 CB ASN A 88 -14.950 -4.439 -11.462 1.00 60.01 C ATOM 1469 CG ASN A 88 -16.058 -5.390 -11.038 1.00 40.11 C ATOM 1470 OD1 ASN A 88 -16.288 -5.622 -9.857 1.00 53.30 O ATOM 1471 ND2 ASN A 88 -16.751 -5.954 -12.004 1.00 20.23 N ATOM 0 H ASN A 88 -13.549 -2.481 -12.004 1.00 71.15 H new ATOM 0 HA ASN A 88 -15.595 -2.853 -10.149 1.00 74.11 H new ATOM 0 HB2 ASN A 88 -15.223 -3.975 -12.410 1.00 60.01 H new ATOM 0 HB3 ASN A 88 -14.039 -5.011 -11.638 1.00 60.01 H new ATOM 0 HD21 ASN A 88 -17.504 -6.605 -11.779 1.00 20.23 H new ATOM 0 HD22 ASN A 88 -16.536 -5.741 -12.978 1.00 20.23 H new ATOM 1478 N ARG A 89 -12.757 -4.317 -9.257 1.00 51.11 N ATOM 1479 CA ARG A 89 -12.017 -4.892 -8.131 1.00 30.43 C ATOM 1480 C ARG A 89 -11.661 -3.807 -7.106 1.00 43.13 C ATOM 1481 O ARG A 89 -11.962 -3.933 -5.915 1.00 1.34 O ATOM 1482 CB ARG A 89 -10.733 -5.569 -8.638 1.00 22.42 C ATOM 1483 CG ARG A 89 -10.958 -6.572 -9.768 1.00 4.14 C ATOM 1484 CD ARG A 89 -11.803 -7.761 -9.322 1.00 60.15 C ATOM 1485 NE ARG A 89 -12.028 -8.715 -10.408 1.00 63.40 N ATOM 1486 CZ ARG A 89 -11.943 -10.014 -10.277 1.00 0.52 C ATOM 1487 NH1 ARG A 89 -11.621 -10.543 -9.137 1.00 61.24 N ATOM 1488 NH2 ARG A 89 -12.183 -10.785 -11.288 1.00 12.42 N ATOM 0 H ARG A 89 -12.208 -4.224 -10.111 1.00 51.11 H new ATOM 0 HA ARG A 89 -12.650 -5.635 -7.646 1.00 30.43 H new ATOM 0 HB2 ARG A 89 -10.042 -4.800 -8.982 1.00 22.42 H new ATOM 0 HB3 ARG A 89 -10.252 -6.080 -7.804 1.00 22.42 H new ATOM 0 HG2 ARG A 89 -11.449 -6.072 -10.603 1.00 4.14 H new ATOM 0 HG3 ARG A 89 -9.995 -6.929 -10.132 1.00 4.14 H new ATOM 0 HD2 ARG A 89 -11.308 -8.266 -8.493 1.00 60.15 H new ATOM 0 HD3 ARG A 89 -12.763 -7.403 -8.950 1.00 60.15 H new ATOM 0 HE ARG A 89 -12.267 -8.343 -11.327 1.00 63.40 H new ATOM 0 HH11 ARG A 89 -11.431 -9.945 -8.333 1.00 61.24 H new ATOM 0 HH12 ARG A 89 -11.557 -11.557 -9.045 1.00 61.24 H new ATOM 0 HH21 ARG A 89 -12.439 -10.380 -12.189 1.00 12.42 H new ATOM 0 HH22 ARG A 89 -12.116 -11.798 -11.184 1.00 12.42 H new ATOM 1502 N LEU A 90 -11.020 -2.744 -7.593 1.00 3.45 N ATOM 1503 CA LEU A 90 -10.615 -1.602 -6.764 1.00 34.31 C ATOM 1504 C LEU A 90 -11.754 -1.093 -5.858 1.00 35.45 C ATOM 1505 O LEU A 90 -11.601 -1.023 -4.638 1.00 31.53 O ATOM 1506 CB LEU A 90 -10.115 -0.466 -7.670 1.00 72.43 C ATOM 1507 CG LEU A 90 -9.553 0.768 -6.945 1.00 65.22 C ATOM 1508 CD1 LEU A 90 -8.373 0.387 -6.051 1.00 34.53 C ATOM 1509 CD2 LEU A 90 -9.138 1.843 -7.951 1.00 71.43 C ATOM 0 H LEU A 90 -10.765 -2.648 -8.576 1.00 3.45 H new ATOM 0 HA LEU A 90 -9.815 -1.941 -6.106 1.00 34.31 H new ATOM 0 HB2 LEU A 90 -9.340 -0.863 -8.326 1.00 72.43 H new ATOM 0 HB3 LEU A 90 -10.939 -0.146 -8.308 1.00 72.43 H new ATOM 0 HG LEU A 90 -10.342 1.174 -6.312 1.00 65.22 H new ATOM 0 HD11 LEU A 90 -7.994 1.278 -5.550 1.00 34.53 H new ATOM 0 HD12 LEU A 90 -8.700 -0.337 -5.305 1.00 34.53 H new ATOM 0 HD13 LEU A 90 -7.582 -0.051 -6.660 1.00 34.53 H new ATOM 0 HD21 LEU A 90 -8.743 2.708 -7.417 1.00 71.43 H new ATOM 0 HD22 LEU A 90 -8.370 1.444 -8.614 1.00 71.43 H new ATOM 0 HD23 LEU A 90 -10.005 2.145 -8.539 1.00 71.43 H new ATOM 1521 N GLU A 91 -12.896 -0.750 -6.455 1.00 32.42 N ATOM 1522 CA GLU A 91 -14.034 -0.201 -5.701 1.00 23.02 C ATOM 1523 C GLU A 91 -14.558 -1.168 -4.630 1.00 41.42 C ATOM 1524 O GLU A 91 -14.733 -0.779 -3.470 1.00 33.41 O ATOM 1525 CB GLU A 91 -15.175 0.190 -6.656 1.00 61.24 C ATOM 1526 CG GLU A 91 -14.920 1.492 -7.408 1.00 4.14 C ATOM 1527 CD GLU A 91 -14.732 2.673 -6.467 1.00 33.11 C ATOM 1528 OE1 GLU A 91 -15.739 3.159 -5.900 1.00 22.15 O ATOM 1529 OE2 GLU A 91 -13.581 3.111 -6.272 1.00 50.30 O ATOM 0 H GLU A 91 -13.062 -0.841 -7.457 1.00 32.42 H new ATOM 0 HA GLU A 91 -13.667 0.686 -5.185 1.00 23.02 H new ATOM 0 HB2 GLU A 91 -15.326 -0.613 -7.377 1.00 61.24 H new ATOM 0 HB3 GLU A 91 -16.099 0.284 -6.086 1.00 61.24 H new ATOM 0 HG2 GLU A 91 -14.033 1.382 -8.031 1.00 4.14 H new ATOM 0 HG3 GLU A 91 -15.757 1.693 -8.077 1.00 4.14 H new ATOM 1536 N GLU A 92 -14.813 -2.416 -5.014 1.00 14.55 N ATOM 1537 CA GLU A 92 -15.332 -3.418 -4.077 1.00 54.30 C ATOM 1538 C GLU A 92 -14.373 -3.636 -2.897 1.00 22.33 C ATOM 1539 O GLU A 92 -14.776 -3.572 -1.730 1.00 24.40 O ATOM 1540 CB GLU A 92 -15.573 -4.752 -4.795 1.00 34.45 C ATOM 1541 CG GLU A 92 -16.087 -5.850 -3.870 1.00 32.32 C ATOM 1542 CD GLU A 92 -16.319 -7.169 -4.584 1.00 44.43 C ATOM 1543 OE1 GLU A 92 -15.358 -7.954 -4.715 1.00 4.52 O ATOM 1544 OE2 GLU A 92 -17.462 -7.432 -5.010 1.00 54.23 O ATOM 0 H GLU A 92 -14.671 -2.760 -5.963 1.00 14.55 H new ATOM 0 HA GLU A 92 -16.277 -3.040 -3.687 1.00 54.30 H new ATOM 0 HB2 GLU A 92 -16.292 -4.599 -5.600 1.00 34.45 H new ATOM 0 HB3 GLU A 92 -14.642 -5.082 -5.257 1.00 34.45 H new ATOM 0 HG2 GLU A 92 -15.371 -6.002 -3.063 1.00 32.32 H new ATOM 0 HG3 GLU A 92 -17.020 -5.523 -3.411 1.00 32.32 H new ATOM 1551 N PHE A 93 -13.105 -3.880 -3.214 1.00 72.51 N ATOM 1552 CA PHE A 93 -12.080 -4.137 -2.200 1.00 34.51 C ATOM 1553 C PHE A 93 -11.864 -2.907 -1.301 1.00 1.34 C ATOM 1554 O PHE A 93 -11.876 -3.016 -0.075 1.00 63.45 O ATOM 1555 CB PHE A 93 -10.771 -4.547 -2.888 1.00 44.10 C ATOM 1556 CG PHE A 93 -9.669 -4.929 -1.933 1.00 42.32 C ATOM 1557 CD1 PHE A 93 -9.784 -6.064 -1.142 1.00 4.12 C ATOM 1558 CD2 PHE A 93 -8.518 -4.160 -1.830 1.00 11.11 C ATOM 1559 CE1 PHE A 93 -8.775 -6.422 -0.271 1.00 22.31 C ATOM 1560 CE2 PHE A 93 -7.509 -4.515 -0.960 1.00 62.21 C ATOM 1561 CZ PHE A 93 -7.638 -5.645 -0.179 1.00 34.14 C ATOM 0 H PHE A 93 -12.758 -3.906 -4.173 1.00 72.51 H new ATOM 0 HA PHE A 93 -12.418 -4.952 -1.559 1.00 34.51 H new ATOM 0 HB2 PHE A 93 -10.970 -5.388 -3.552 1.00 44.10 H new ATOM 0 HB3 PHE A 93 -10.427 -3.722 -3.512 1.00 44.10 H new ATOM 0 HD1 PHE A 93 -10.673 -6.674 -1.209 1.00 4.12 H new ATOM 0 HD2 PHE A 93 -8.412 -3.274 -2.438 1.00 11.11 H new ATOM 0 HE1 PHE A 93 -8.875 -7.309 0.338 1.00 22.31 H new ATOM 0 HE2 PHE A 93 -6.618 -3.909 -0.890 1.00 62.21 H new ATOM 0 HZ PHE A 93 -6.849 -5.922 0.505 1.00 34.14 H new ATOM 1571 N SER A 94 -11.688 -1.740 -1.922 1.00 71.15 N ATOM 1572 CA SER A 94 -11.504 -0.473 -1.187 1.00 44.30 C ATOM 1573 C SER A 94 -12.638 -0.237 -0.179 1.00 41.44 C ATOM 1574 O SER A 94 -12.407 0.214 0.943 1.00 55.04 O ATOM 1575 CB SER A 94 -11.435 0.709 -2.167 1.00 52.31 C ATOM 1576 OG SER A 94 -11.357 1.950 -1.486 1.00 21.12 O ATOM 0 H SER A 94 -11.668 -1.639 -2.937 1.00 71.15 H new ATOM 0 HA SER A 94 -10.566 -0.547 -0.638 1.00 44.30 H new ATOM 0 HB2 SER A 94 -10.566 0.594 -2.815 1.00 52.31 H new ATOM 0 HB3 SER A 94 -12.315 0.701 -2.810 1.00 52.31 H new ATOM 0 HG SER A 94 -11.313 2.679 -2.139 1.00 21.12 H new ATOM 1582 N ARG A 95 -13.864 -0.562 -0.587 1.00 42.42 N ATOM 1583 CA ARG A 95 -15.043 -0.406 0.276 1.00 32.53 C ATOM 1584 C ARG A 95 -14.909 -1.241 1.565 1.00 1.31 C ATOM 1585 O ARG A 95 -15.206 -0.764 2.665 1.00 20.03 O ATOM 1586 CB ARG A 95 -16.307 -0.818 -0.495 1.00 12.41 C ATOM 1587 CG ARG A 95 -17.619 -0.477 0.213 1.00 70.02 C ATOM 1588 CD ARG A 95 -17.814 1.030 0.365 1.00 2.44 C ATOM 1589 NE ARG A 95 -17.786 1.724 -0.926 1.00 63.12 N ATOM 1590 CZ ARG A 95 -18.615 2.673 -1.274 1.00 44.21 C ATOM 1591 NH1 ARG A 95 -19.566 3.047 -0.481 1.00 14.21 N ATOM 1592 NH2 ARG A 95 -18.495 3.236 -2.430 1.00 61.42 N ATOM 0 H ARG A 95 -14.071 -0.937 -1.513 1.00 42.42 H new ATOM 0 HA ARG A 95 -15.119 0.642 0.565 1.00 32.53 H new ATOM 0 HB2 ARG A 95 -16.298 -0.331 -1.470 1.00 12.41 H new ATOM 0 HB3 ARG A 95 -16.274 -1.893 -0.675 1.00 12.41 H new ATOM 0 HG2 ARG A 95 -18.454 -0.895 -0.350 1.00 70.02 H new ATOM 0 HG3 ARG A 95 -17.632 -0.945 1.197 1.00 70.02 H new ATOM 0 HD2 ARG A 95 -18.766 1.224 0.859 1.00 2.44 H new ATOM 0 HD3 ARG A 95 -17.033 1.433 1.009 1.00 2.44 H new ATOM 0 HE ARG A 95 -17.071 1.448 -1.599 1.00 63.12 H new ATOM 0 HH11 ARG A 95 -19.676 2.600 0.429 1.00 14.21 H new ATOM 0 HH12 ARG A 95 -20.205 3.789 -0.766 1.00 14.21 H new ATOM 0 HH21 ARG A 95 -17.756 2.940 -3.067 1.00 61.42 H new ATOM 0 HH22 ARG A 95 -19.140 3.977 -2.706 1.00 61.42 H new ATOM 1606 N GLU A 96 -14.456 -2.487 1.420 1.00 72.44 N ATOM 1607 CA GLU A 96 -14.252 -3.382 2.569 1.00 20.44 C ATOM 1608 C GLU A 96 -13.076 -2.912 3.443 1.00 50.22 C ATOM 1609 O GLU A 96 -13.146 -2.953 4.673 1.00 42.45 O ATOM 1610 CB GLU A 96 -14.019 -4.823 2.080 1.00 63.04 C ATOM 1611 CG GLU A 96 -15.235 -5.434 1.386 1.00 3.32 C ATOM 1612 CD GLU A 96 -14.962 -6.808 0.786 1.00 65.42 C ATOM 1613 OE1 GLU A 96 -14.896 -7.800 1.544 1.00 53.13 O ATOM 1614 OE2 GLU A 96 -14.846 -6.912 -0.452 1.00 1.14 O ATOM 0 H GLU A 96 -14.222 -2.903 0.519 1.00 72.44 H new ATOM 0 HA GLU A 96 -15.152 -3.356 3.184 1.00 20.44 H new ATOM 0 HB2 GLU A 96 -13.174 -4.833 1.391 1.00 63.04 H new ATOM 0 HB3 GLU A 96 -13.744 -5.447 2.930 1.00 63.04 H new ATOM 0 HG2 GLU A 96 -16.051 -5.515 2.104 1.00 3.32 H new ATOM 0 HG3 GLU A 96 -15.570 -4.761 0.597 1.00 3.32 H new ATOM 1621 N VAL A 97 -12.003 -2.455 2.799 1.00 53.23 N ATOM 1622 CA VAL A 97 -10.821 -1.952 3.511 1.00 45.45 C ATOM 1623 C VAL A 97 -11.152 -0.707 4.353 1.00 22.32 C ATOM 1624 O VAL A 97 -10.817 -0.635 5.538 1.00 22.31 O ATOM 1625 CB VAL A 97 -9.678 -1.607 2.518 1.00 25.34 C ATOM 1626 CG1 VAL A 97 -8.468 -1.018 3.246 1.00 53.23 C ATOM 1627 CG2 VAL A 97 -9.273 -2.841 1.714 1.00 13.31 C ATOM 0 H VAL A 97 -11.924 -2.421 1.783 1.00 53.23 H new ATOM 0 HA VAL A 97 -10.493 -2.749 4.179 1.00 45.45 H new ATOM 0 HB VAL A 97 -10.053 -0.851 1.828 1.00 25.34 H new ATOM 0 HG11 VAL A 97 -7.685 -0.787 2.523 1.00 53.23 H new ATOM 0 HG12 VAL A 97 -8.764 -0.106 3.764 1.00 53.23 H new ATOM 0 HG13 VAL A 97 -8.092 -1.741 3.970 1.00 53.23 H new ATOM 0 HG21 VAL A 97 -8.471 -2.579 1.024 1.00 13.31 H new ATOM 0 HG22 VAL A 97 -8.927 -3.620 2.393 1.00 13.31 H new ATOM 0 HG23 VAL A 97 -10.132 -3.206 1.150 1.00 13.31 H new ATOM 1637 N ARG A 98 -11.816 0.269 3.734 1.00 43.30 N ATOM 1638 CA ARG A 98 -12.180 1.517 4.415 1.00 71.05 C ATOM 1639 C ARG A 98 -13.062 1.246 5.645 1.00 45.20 C ATOM 1640 O ARG A 98 -12.855 1.830 6.714 1.00 50.14 O ATOM 1641 CB ARG A 98 -12.918 2.458 3.450 1.00 32.35 C ATOM 1642 CG ARG A 98 -13.122 3.865 4.005 1.00 61.32 C ATOM 1643 CD ARG A 98 -11.796 4.611 4.135 1.00 21.43 C ATOM 1644 NE ARG A 98 -11.928 5.868 4.865 1.00 44.45 N ATOM 1645 CZ ARG A 98 -11.857 7.049 4.315 1.00 63.21 C ATOM 1646 NH1 ARG A 98 -11.738 7.176 3.032 1.00 44.15 N ATOM 1647 NH2 ARG A 98 -11.908 8.107 5.052 1.00 12.03 N ATOM 0 H ARG A 98 -12.115 0.222 2.760 1.00 43.30 H new ATOM 0 HA ARG A 98 -11.257 1.991 4.749 1.00 71.05 H new ATOM 0 HB2 ARG A 98 -12.357 2.522 2.518 1.00 32.35 H new ATOM 0 HB3 ARG A 98 -13.890 2.027 3.208 1.00 32.35 H new ATOM 0 HG2 ARG A 98 -13.792 4.422 3.350 1.00 61.32 H new ATOM 0 HG3 ARG A 98 -13.605 3.806 4.980 1.00 61.32 H new ATOM 0 HD2 ARG A 98 -11.073 3.974 4.644 1.00 21.43 H new ATOM 0 HD3 ARG A 98 -11.398 4.813 3.141 1.00 21.43 H new ATOM 0 HE ARG A 98 -12.086 5.820 5.872 1.00 44.45 H new ATOM 0 HH11 ARG A 98 -11.699 6.347 2.439 1.00 44.15 H new ATOM 0 HH12 ARG A 98 -11.684 8.105 2.614 1.00 44.15 H new ATOM 0 HH21 ARG A 98 -12.004 8.020 6.064 1.00 12.03 H new ATOM 0 HH22 ARG A 98 -11.853 9.031 4.623 1.00 12.03 H new ATOM 1661 N ARG A 99 -14.028 0.342 5.485 1.00 51.13 N ATOM 1662 CA ARG A 99 -14.989 0.016 6.548 1.00 30.12 C ATOM 1663 C ARG A 99 -14.309 -0.621 7.780 1.00 44.53 C ATOM 1664 O ARG A 99 -14.923 -0.742 8.847 1.00 63.22 O ATOM 1665 CB ARG A 99 -16.086 -0.905 5.979 1.00 65.43 C ATOM 1666 CG ARG A 99 -17.210 -1.236 6.960 1.00 72.40 C ATOM 1667 CD ARG A 99 -18.404 -1.894 6.265 1.00 72.11 C ATOM 1668 NE ARG A 99 -18.032 -3.107 5.538 1.00 64.21 N ATOM 1669 CZ ARG A 99 -18.807 -3.717 4.676 1.00 43.51 C ATOM 1670 NH1 ARG A 99 -19.997 -3.278 4.431 1.00 70.30 N ATOM 1671 NH2 ARG A 99 -18.391 -4.780 4.068 1.00 63.23 N ATOM 0 H ARG A 99 -14.169 -0.184 4.623 1.00 51.13 H new ATOM 0 HA ARG A 99 -15.440 0.945 6.896 1.00 30.12 H new ATOM 0 HB2 ARG A 99 -16.518 -0.432 5.098 1.00 65.43 H new ATOM 0 HB3 ARG A 99 -15.625 -1.835 5.647 1.00 65.43 H new ATOM 0 HG2 ARG A 99 -16.830 -1.902 7.735 1.00 72.40 H new ATOM 0 HG3 ARG A 99 -17.538 -0.323 7.457 1.00 72.40 H new ATOM 0 HD2 ARG A 99 -19.163 -2.138 7.008 1.00 72.11 H new ATOM 0 HD3 ARG A 99 -18.854 -1.183 5.572 1.00 72.11 H new ATOM 0 HE ARG A 99 -17.109 -3.504 5.714 1.00 64.21 H new ATOM 0 HH11 ARG A 99 -20.343 -2.447 4.911 1.00 70.30 H new ATOM 0 HH12 ARG A 99 -20.591 -3.762 3.757 1.00 70.30 H new ATOM 0 HH21 ARG A 99 -17.458 -5.145 4.259 1.00 63.23 H new ATOM 0 HH22 ARG A 99 -18.996 -5.254 3.397 1.00 63.23 H new ATOM 1685 N ARG A 100 -13.037 -1.011 7.646 1.00 71.23 N ATOM 1686 CA ARG A 100 -12.275 -1.556 8.780 1.00 32.42 C ATOM 1687 C ARG A 100 -11.783 -0.444 9.728 1.00 71.42 C ATOM 1688 O ARG A 100 -11.245 -0.725 10.801 1.00 4.11 O ATOM 1689 CB ARG A 100 -11.071 -2.379 8.293 1.00 74.41 C ATOM 1690 CG ARG A 100 -11.421 -3.517 7.334 1.00 44.15 C ATOM 1691 CD ARG A 100 -10.335 -4.597 7.327 1.00 40.40 C ATOM 1692 NE ARG A 100 -10.493 -5.580 6.251 1.00 40.24 N ATOM 1693 CZ ARG A 100 -11.565 -6.296 6.029 1.00 5.14 C ATOM 1694 NH1 ARG A 100 -12.621 -6.180 6.771 1.00 51.02 N ATOM 1695 NH2 ARG A 100 -11.564 -7.149 5.061 1.00 11.23 N ATOM 0 H ARG A 100 -12.514 -0.961 6.771 1.00 71.23 H new ATOM 0 HA ARG A 100 -12.956 -2.205 9.331 1.00 32.42 H new ATOM 0 HB2 ARG A 100 -10.367 -1.710 7.799 1.00 74.41 H new ATOM 0 HB3 ARG A 100 -10.559 -2.797 9.160 1.00 74.41 H new ATOM 0 HG2 ARG A 100 -12.374 -3.959 7.624 1.00 44.15 H new ATOM 0 HG3 ARG A 100 -11.548 -3.120 6.327 1.00 44.15 H new ATOM 0 HD2 ARG A 100 -9.360 -4.119 7.231 1.00 40.40 H new ATOM 0 HD3 ARG A 100 -10.343 -5.115 8.286 1.00 40.40 H new ATOM 0 HE ARG A 100 -9.701 -5.717 5.623 1.00 40.24 H new ATOM 0 HH11 ARG A 100 -12.628 -5.519 7.548 1.00 51.02 H new ATOM 0 HH12 ARG A 100 -13.445 -6.749 6.578 1.00 51.02 H new ATOM 0 HH21 ARG A 100 -10.734 -7.259 4.479 1.00 11.23 H new ATOM 0 HH22 ARG A 100 -12.394 -7.713 4.878 1.00 11.23 H new ATOM 1709 N GLY A 101 -11.960 0.814 9.325 1.00 22.03 N ATOM 1710 CA GLY A 101 -11.558 1.942 10.167 1.00 41.31 C ATOM 1711 C GLY A 101 -10.183 2.513 9.816 1.00 43.15 C ATOM 1712 O GLY A 101 -9.530 3.137 10.656 1.00 32.33 O ATOM 0 H GLY A 101 -12.374 1.077 8.431 1.00 22.03 H new ATOM 0 HA2 GLY A 101 -12.303 2.733 10.079 1.00 41.31 H new ATOM 0 HA3 GLY A 101 -11.554 1.622 11.209 1.00 41.31 H new ATOM 1716 N PHE A 102 -9.747 2.308 8.573 1.00 11.14 N ATOM 1717 CA PHE A 102 -8.441 2.806 8.108 1.00 51.33 C ATOM 1718 C PHE A 102 -8.594 3.809 6.955 1.00 5.32 C ATOM 1719 O PHE A 102 -9.533 3.720 6.161 1.00 14.40 O ATOM 1720 CB PHE A 102 -7.555 1.639 7.644 1.00 75.13 C ATOM 1721 CG PHE A 102 -7.258 0.628 8.722 1.00 62.34 C ATOM 1722 CD1 PHE A 102 -6.329 0.905 9.716 1.00 51.03 C ATOM 1723 CD2 PHE A 102 -7.900 -0.601 8.740 1.00 53.24 C ATOM 1724 CE1 PHE A 102 -6.050 -0.021 10.701 1.00 24.21 C ATOM 1725 CE2 PHE A 102 -7.624 -1.529 9.724 1.00 44.13 C ATOM 1726 CZ PHE A 102 -6.697 -1.239 10.707 1.00 52.23 C ATOM 0 H PHE A 102 -10.276 1.800 7.864 1.00 11.14 H new ATOM 0 HA PHE A 102 -7.972 3.314 8.951 1.00 51.33 H new ATOM 0 HB2 PHE A 102 -8.044 1.134 6.811 1.00 75.13 H new ATOM 0 HB3 PHE A 102 -6.614 2.039 7.266 1.00 75.13 H new ATOM 0 HD1 PHE A 102 -5.818 1.857 9.719 1.00 51.03 H new ATOM 0 HD2 PHE A 102 -8.625 -0.835 7.975 1.00 53.24 H new ATOM 0 HE1 PHE A 102 -5.325 0.208 11.467 1.00 24.21 H new ATOM 0 HE2 PHE A 102 -8.133 -2.482 9.726 1.00 44.13 H new ATOM 0 HZ PHE A 102 -6.480 -1.964 11.478 1.00 52.23 H new ATOM 1736 N GLU A 103 -7.662 4.755 6.863 1.00 0.51 N ATOM 1737 CA GLU A 103 -7.657 5.727 5.765 1.00 63.54 C ATOM 1738 C GLU A 103 -7.012 5.136 4.505 1.00 54.51 C ATOM 1739 O GLU A 103 -5.789 5.093 4.378 1.00 21.21 O ATOM 1740 CB GLU A 103 -6.928 7.019 6.178 1.00 60.13 C ATOM 1741 CG GLU A 103 -7.684 7.850 7.210 1.00 12.12 C ATOM 1742 CD GLU A 103 -9.064 8.274 6.720 1.00 2.52 C ATOM 1743 OE1 GLU A 103 -9.140 9.077 5.764 1.00 50.50 O ATOM 1744 OE2 GLU A 103 -10.076 7.800 7.281 1.00 10.24 O ATOM 0 H GLU A 103 -6.901 4.872 7.532 1.00 0.51 H new ATOM 0 HA GLU A 103 -8.695 5.971 5.537 1.00 63.54 H new ATOM 0 HB2 GLU A 103 -5.949 6.760 6.581 1.00 60.13 H new ATOM 0 HB3 GLU A 103 -6.756 7.628 5.290 1.00 60.13 H new ATOM 0 HG2 GLU A 103 -7.790 7.274 8.129 1.00 12.12 H new ATOM 0 HG3 GLU A 103 -7.101 8.737 7.455 1.00 12.12 H new ATOM 1751 N VAL A 104 -7.844 4.656 3.587 1.00 35.30 N ATOM 1752 CA VAL A 104 -7.361 4.120 2.312 1.00 1.43 C ATOM 1753 C VAL A 104 -7.551 5.135 1.171 1.00 24.34 C ATOM 1754 O VAL A 104 -8.525 5.890 1.152 1.00 74.45 O ATOM 1755 CB VAL A 104 -8.078 2.792 1.950 1.00 34.13 C ATOM 1756 CG1 VAL A 104 -9.579 3.008 1.765 1.00 62.12 C ATOM 1757 CG2 VAL A 104 -7.460 2.162 0.701 1.00 43.13 C ATOM 0 H VAL A 104 -8.857 4.626 3.699 1.00 35.30 H new ATOM 0 HA VAL A 104 -6.296 3.922 2.433 1.00 1.43 H new ATOM 0 HB VAL A 104 -7.941 2.101 2.782 1.00 34.13 H new ATOM 0 HG11 VAL A 104 -10.055 2.060 1.512 1.00 62.12 H new ATOM 0 HG12 VAL A 104 -10.008 3.394 2.690 1.00 62.12 H new ATOM 0 HG13 VAL A 104 -9.747 3.724 0.961 1.00 62.12 H new ATOM 0 HG21 VAL A 104 -7.979 1.233 0.467 1.00 43.13 H new ATOM 0 HG22 VAL A 104 -7.554 2.851 -0.138 1.00 43.13 H new ATOM 0 HG23 VAL A 104 -6.406 1.953 0.883 1.00 43.13 H new ATOM 1767 N ARG A 105 -6.598 5.170 0.241 1.00 61.33 N ATOM 1768 CA ARG A 105 -6.681 6.033 -0.945 1.00 12.43 C ATOM 1769 C ARG A 105 -6.415 5.223 -2.226 1.00 3.11 C ATOM 1770 O ARG A 105 -5.453 4.460 -2.301 1.00 70.25 O ATOM 1771 CB ARG A 105 -5.686 7.203 -0.829 1.00 62.52 C ATOM 1772 CG ARG A 105 -5.980 8.162 0.328 1.00 1.32 C ATOM 1773 CD ARG A 105 -7.408 8.708 0.278 1.00 33.32 C ATOM 1774 NE ARG A 105 -7.674 9.666 1.353 1.00 51.41 N ATOM 1775 CZ ARG A 105 -8.192 9.358 2.514 1.00 32.54 C ATOM 1776 NH1 ARG A 105 -8.536 8.140 2.794 1.00 74.33 N ATOM 1777 NH2 ARG A 105 -8.383 10.279 3.398 1.00 3.44 N ATOM 0 H ARG A 105 -5.749 4.606 0.284 1.00 61.33 H new ATOM 0 HA ARG A 105 -7.690 6.441 -1.003 1.00 12.43 H new ATOM 0 HB2 ARG A 105 -4.681 6.800 -0.706 1.00 62.52 H new ATOM 0 HB3 ARG A 105 -5.692 7.765 -1.763 1.00 62.52 H new ATOM 0 HG2 ARG A 105 -5.824 7.645 1.275 1.00 1.32 H new ATOM 0 HG3 ARG A 105 -5.274 8.992 0.298 1.00 1.32 H new ATOM 0 HD2 ARG A 105 -7.577 9.190 -0.685 1.00 33.32 H new ATOM 0 HD3 ARG A 105 -8.114 7.880 0.349 1.00 33.32 H new ATOM 0 HE ARG A 105 -7.438 10.644 1.184 1.00 51.41 H new ATOM 0 HH11 ARG A 105 -8.404 7.401 2.103 1.00 74.33 H new ATOM 0 HH12 ARG A 105 -8.938 7.920 3.705 1.00 74.33 H new ATOM 0 HH21 ARG A 105 -8.130 11.245 3.191 1.00 3.44 H new ATOM 0 HH22 ARG A 105 -8.787 10.041 4.304 1.00 3.44 H new ATOM 1791 N THR A 106 -7.280 5.387 -3.226 1.00 61.03 N ATOM 1792 CA THR A 106 -7.200 4.602 -4.470 1.00 65.23 C ATOM 1793 C THR A 106 -6.485 5.363 -5.597 1.00 21.12 C ATOM 1794 O THR A 106 -6.733 6.551 -5.813 1.00 62.44 O ATOM 1795 CB THR A 106 -8.610 4.199 -4.966 1.00 54.03 C ATOM 1796 OG1 THR A 106 -9.388 5.371 -5.268 1.00 1.10 O ATOM 1797 CG2 THR A 106 -9.341 3.362 -3.920 1.00 74.03 C ATOM 0 H THR A 106 -8.049 6.057 -3.204 1.00 61.03 H new ATOM 0 HA THR A 106 -6.620 3.711 -4.227 1.00 65.23 H new ATOM 0 HB THR A 106 -8.486 3.602 -5.869 1.00 54.03 H new ATOM 0 HG1 THR A 106 -10.276 5.102 -5.582 1.00 1.10 H new ATOM 0 HG21 THR A 106 -10.329 3.093 -4.295 1.00 74.03 H new ATOM 0 HG22 THR A 106 -8.771 2.456 -3.716 1.00 74.03 H new ATOM 0 HG23 THR A 106 -9.446 3.939 -3.001 1.00 74.03 H new ATOM 1805 N VAL A 107 -5.593 4.670 -6.308 1.00 11.23 N ATOM 1806 CA VAL A 107 -4.868 5.253 -7.448 1.00 42.31 C ATOM 1807 C VAL A 107 -4.847 4.285 -8.646 1.00 75.24 C ATOM 1808 O VAL A 107 -4.832 3.066 -8.471 1.00 12.44 O ATOM 1809 CB VAL A 107 -3.408 5.626 -7.064 1.00 23.23 C ATOM 1810 CG1 VAL A 107 -3.387 6.654 -5.931 1.00 51.24 C ATOM 1811 CG2 VAL A 107 -2.604 4.378 -6.683 1.00 33.21 C ATOM 0 H VAL A 107 -5.352 3.698 -6.116 1.00 11.23 H new ATOM 0 HA VAL A 107 -5.400 6.161 -7.730 1.00 42.31 H new ATOM 0 HB VAL A 107 -2.936 6.076 -7.938 1.00 23.23 H new ATOM 0 HG11 VAL A 107 -2.355 6.899 -5.681 1.00 51.24 H new ATOM 0 HG12 VAL A 107 -3.907 7.557 -6.250 1.00 51.24 H new ATOM 0 HG13 VAL A 107 -3.884 6.239 -5.054 1.00 51.24 H new ATOM 0 HG21 VAL A 107 -1.587 4.667 -6.419 1.00 33.21 H new ATOM 0 HG22 VAL A 107 -3.075 3.888 -5.831 1.00 33.21 H new ATOM 0 HG23 VAL A 107 -2.578 3.690 -7.528 1.00 33.21 H new ATOM 1821 N THR A 108 -4.849 4.832 -9.865 1.00 23.42 N ATOM 1822 CA THR A 108 -4.859 3.997 -11.082 1.00 64.11 C ATOM 1823 C THR A 108 -3.585 4.180 -11.921 1.00 15.44 C ATOM 1824 O THR A 108 -3.119 3.241 -12.569 1.00 70.03 O ATOM 1825 CB THR A 108 -6.092 4.288 -11.975 1.00 10.41 C ATOM 1826 OG1 THR A 108 -6.016 5.612 -12.534 1.00 35.45 O ATOM 1827 CG2 THR A 108 -7.391 4.144 -11.186 1.00 11.34 C ATOM 0 H THR A 108 -4.844 5.837 -10.041 1.00 23.42 H new ATOM 0 HA THR A 108 -4.907 2.966 -10.730 1.00 64.11 H new ATOM 0 HB THR A 108 -6.089 3.556 -12.783 1.00 10.41 H new ATOM 0 HG1 THR A 108 -5.511 6.194 -11.929 1.00 35.45 H new ATOM 0 HG21 THR A 108 -8.238 4.354 -11.839 1.00 11.34 H new ATOM 0 HG22 THR A 108 -7.472 3.127 -10.802 1.00 11.34 H new ATOM 0 HG23 THR A 108 -7.391 4.848 -10.354 1.00 11.34 H new ATOM 1835 N SER A 109 -3.033 5.391 -11.922 1.00 63.01 N ATOM 1836 CA SER A 109 -1.777 5.685 -12.637 1.00 0.21 C ATOM 1837 C SER A 109 -0.662 6.097 -11.657 1.00 22.42 C ATOM 1838 O SER A 109 -0.943 6.550 -10.544 1.00 24.05 O ATOM 1839 CB SER A 109 -2.002 6.803 -13.672 1.00 35.30 C ATOM 1840 OG SER A 109 -2.916 6.401 -14.682 1.00 42.12 O ATOM 0 H SER A 109 -3.432 6.194 -11.435 1.00 63.01 H new ATOM 0 HA SER A 109 -1.463 4.776 -13.151 1.00 0.21 H new ATOM 0 HB2 SER A 109 -2.381 7.694 -13.171 1.00 35.30 H new ATOM 0 HB3 SER A 109 -1.050 7.075 -14.128 1.00 35.30 H new ATOM 0 HG SER A 109 -3.039 7.133 -15.322 1.00 42.12 H new ATOM 1846 N PRO A 110 0.628 5.954 -12.050 1.00 65.04 N ATOM 1847 CA PRO A 110 1.766 6.382 -11.208 1.00 30.44 C ATOM 1848 C PRO A 110 1.684 7.872 -10.829 1.00 25.40 C ATOM 1849 O PRO A 110 2.047 8.267 -9.716 1.00 50.01 O ATOM 1850 CB PRO A 110 3.003 6.107 -12.087 1.00 65.52 C ATOM 1851 CG PRO A 110 2.470 5.937 -13.475 1.00 54.42 C ATOM 1852 CD PRO A 110 1.087 5.366 -13.321 1.00 52.31 C ATOM 0 HA PRO A 110 1.788 5.850 -10.257 1.00 30.44 H new ATOM 0 HB2 PRO A 110 3.713 6.933 -12.036 1.00 65.52 H new ATOM 0 HB3 PRO A 110 3.530 5.212 -11.756 1.00 65.52 H new ATOM 0 HG2 PRO A 110 2.442 6.891 -14.002 1.00 54.42 H new ATOM 0 HG3 PRO A 110 3.105 5.270 -14.058 1.00 54.42 H new ATOM 0 HD2 PRO A 110 0.440 5.645 -14.152 1.00 52.31 H new ATOM 0 HD3 PRO A 110 1.102 4.277 -13.280 1.00 52.31 H new ATOM 1860 N ASP A 111 1.203 8.690 -11.767 1.00 70.04 N ATOM 1861 CA ASP A 111 0.961 10.114 -11.519 1.00 22.31 C ATOM 1862 C ASP A 111 -0.034 10.314 -10.366 1.00 1.14 C ATOM 1863 O ASP A 111 0.204 11.115 -9.459 1.00 23.24 O ATOM 1864 CB ASP A 111 0.433 10.775 -12.794 1.00 71.23 C ATOM 1865 CG ASP A 111 1.384 10.583 -13.959 1.00 23.32 C ATOM 1866 OD1 ASP A 111 1.409 9.471 -14.528 1.00 75.52 O ATOM 1867 OD2 ASP A 111 2.129 11.534 -14.288 1.00 51.32 O ATOM 0 H ASP A 111 0.971 8.388 -12.713 1.00 70.04 H new ATOM 0 HA ASP A 111 1.904 10.580 -11.232 1.00 22.31 H new ATOM 0 HB2 ASP A 111 -0.541 10.355 -13.046 1.00 71.23 H new ATOM 0 HB3 ASP A 111 0.284 11.840 -12.617 1.00 71.23 H new ATOM 1872 N ASP A 112 -1.144 9.572 -10.411 1.00 15.32 N ATOM 1873 CA ASP A 112 -2.141 9.585 -9.332 1.00 34.21 C ATOM 1874 C ASP A 112 -1.478 9.281 -7.982 1.00 41.24 C ATOM 1875 O ASP A 112 -1.658 10.008 -7.003 1.00 0.14 O ATOM 1876 CB ASP A 112 -3.228 8.532 -9.590 1.00 23.15 C ATOM 1877 CG ASP A 112 -3.870 8.626 -10.963 1.00 21.12 C ATOM 1878 OD1 ASP A 112 -3.549 9.554 -11.731 1.00 44.15 O ATOM 1879 OD2 ASP A 112 -4.696 7.745 -11.281 1.00 5.13 O ATOM 0 H ASP A 112 -1.377 8.951 -11.186 1.00 15.32 H new ATOM 0 HA ASP A 112 -2.589 10.578 -9.307 1.00 34.21 H new ATOM 0 HB2 ASP A 112 -2.793 7.540 -9.472 1.00 23.15 H new ATOM 0 HB3 ASP A 112 -4.003 8.633 -8.831 1.00 23.15 H new ATOM 1884 N PHE A 113 -0.715 8.187 -7.951 1.00 65.33 N ATOM 1885 CA PHE A 113 0.014 7.772 -6.750 1.00 73.34 C ATOM 1886 C PHE A 113 0.896 8.900 -6.204 1.00 0.21 C ATOM 1887 O PHE A 113 0.862 9.201 -5.011 1.00 44.24 O ATOM 1888 CB PHE A 113 0.872 6.536 -7.055 1.00 73.15 C ATOM 1889 CG PHE A 113 1.829 6.182 -5.945 1.00 72.23 C ATOM 1890 CD1 PHE A 113 1.362 5.649 -4.753 1.00 54.41 C ATOM 1891 CD2 PHE A 113 3.195 6.388 -6.093 1.00 30.14 C ATOM 1892 CE1 PHE A 113 2.236 5.333 -3.733 1.00 2.33 C ATOM 1893 CE2 PHE A 113 4.072 6.071 -5.075 1.00 40.22 C ATOM 1894 CZ PHE A 113 3.593 5.543 -3.894 1.00 25.21 C ATOM 0 H PHE A 113 -0.585 7.567 -8.751 1.00 65.33 H new ATOM 0 HA PHE A 113 -0.722 7.524 -5.985 1.00 73.34 H new ATOM 0 HB2 PHE A 113 0.217 5.686 -7.244 1.00 73.15 H new ATOM 0 HB3 PHE A 113 1.438 6.712 -7.970 1.00 73.15 H new ATOM 0 HD1 PHE A 113 0.304 5.479 -4.622 1.00 54.41 H new ATOM 0 HD2 PHE A 113 3.575 6.801 -7.016 1.00 30.14 H new ATOM 0 HE1 PHE A 113 1.860 4.921 -2.808 1.00 2.33 H new ATOM 0 HE2 PHE A 113 5.132 6.236 -5.203 1.00 40.22 H new ATOM 0 HZ PHE A 113 4.277 5.294 -3.096 1.00 25.21 H new ATOM 1904 N LYS A 114 1.679 9.523 -7.079 1.00 45.14 N ATOM 1905 CA LYS A 114 2.584 10.594 -6.662 1.00 0.32 C ATOM 1906 C LYS A 114 1.811 11.813 -6.133 1.00 21.21 C ATOM 1907 O LYS A 114 2.129 12.340 -5.070 1.00 13.12 O ATOM 1908 CB LYS A 114 3.501 11.014 -7.817 1.00 51.03 C ATOM 1909 CG LYS A 114 4.542 12.053 -7.412 1.00 64.45 C ATOM 1910 CD LYS A 114 5.549 12.322 -8.523 1.00 23.03 C ATOM 1911 CE LYS A 114 6.567 13.372 -8.103 1.00 31.01 C ATOM 1912 NZ LYS A 114 5.927 14.685 -7.833 1.00 12.10 N ATOM 0 H LYS A 114 1.707 9.308 -8.076 1.00 45.14 H new ATOM 0 HA LYS A 114 3.196 10.202 -5.850 1.00 0.32 H new ATOM 0 HB2 LYS A 114 4.010 10.133 -8.207 1.00 51.03 H new ATOM 0 HB3 LYS A 114 2.893 11.416 -8.627 1.00 51.03 H new ATOM 0 HG2 LYS A 114 4.040 12.983 -7.146 1.00 64.45 H new ATOM 0 HG3 LYS A 114 5.069 11.709 -6.522 1.00 64.45 H new ATOM 0 HD2 LYS A 114 6.063 11.397 -8.782 1.00 23.03 H new ATOM 0 HD3 LYS A 114 5.025 12.657 -9.418 1.00 23.03 H new ATOM 0 HE2 LYS A 114 7.091 13.033 -7.210 1.00 31.01 H new ATOM 0 HE3 LYS A 114 7.315 13.487 -8.887 1.00 31.01 H new ATOM 0 HZ1 LYS A 114 6.402 15.144 -7.029 1.00 12.10 H new ATOM 0 HZ2 LYS A 114 6.008 15.290 -8.675 1.00 12.10 H new ATOM 0 HZ3 LYS A 114 4.922 14.541 -7.606 1.00 12.10 H new ATOM 1926 N LYS A 115 0.789 12.246 -6.869 1.00 42.13 N ATOM 1927 CA LYS A 115 0.000 13.421 -6.472 1.00 34.30 C ATOM 1928 C LYS A 115 -0.815 13.160 -5.199 1.00 43.03 C ATOM 1929 O LYS A 115 -1.226 14.097 -4.509 1.00 64.22 O ATOM 1930 CB LYS A 115 -0.912 13.867 -7.624 1.00 64.51 C ATOM 1931 CG LYS A 115 -0.137 14.376 -8.834 1.00 14.23 C ATOM 1932 CD LYS A 115 0.805 15.516 -8.448 1.00 72.52 C ATOM 1933 CE LYS A 115 1.762 15.874 -9.575 1.00 42.04 C ATOM 1934 NZ LYS A 115 2.768 16.880 -9.142 1.00 22.14 N ATOM 0 H LYS A 115 0.486 11.807 -7.739 1.00 42.13 H new ATOM 0 HA LYS A 115 0.698 14.227 -6.246 1.00 34.30 H new ATOM 0 HB2 LYS A 115 -1.540 13.030 -7.928 1.00 64.51 H new ATOM 0 HB3 LYS A 115 -1.578 14.653 -7.269 1.00 64.51 H new ATOM 0 HG2 LYS A 115 0.437 13.559 -9.271 1.00 14.23 H new ATOM 0 HG3 LYS A 115 -0.835 14.720 -9.597 1.00 14.23 H new ATOM 0 HD2 LYS A 115 0.219 16.394 -8.178 1.00 72.52 H new ATOM 0 HD3 LYS A 115 1.376 15.230 -7.565 1.00 72.52 H new ATOM 0 HE2 LYS A 115 2.272 14.974 -9.919 1.00 42.04 H new ATOM 0 HE3 LYS A 115 1.198 16.265 -10.422 1.00 42.04 H new ATOM 0 HZ1 LYS A 115 3.501 16.975 -9.873 1.00 22.14 H new ATOM 0 HZ2 LYS A 115 2.301 17.798 -8.999 1.00 22.14 H new ATOM 0 HZ3 LYS A 115 3.206 16.572 -8.251 1.00 22.14 H new ATOM 1948 N SER A 116 -1.059 11.890 -4.900 1.00 34.42 N ATOM 1949 CA SER A 116 -1.649 11.502 -3.615 1.00 75.41 C ATOM 1950 C SER A 116 -0.577 11.506 -2.518 1.00 51.52 C ATOM 1951 O SER A 116 -0.773 12.061 -1.437 1.00 62.44 O ATOM 1952 CB SER A 116 -2.288 10.107 -3.705 1.00 0.40 C ATOM 1953 OG SER A 116 -3.310 10.068 -4.690 1.00 4.33 O ATOM 0 H SER A 116 -0.860 11.109 -5.525 1.00 34.42 H new ATOM 0 HA SER A 116 -2.425 12.226 -3.366 1.00 75.41 H new ATOM 0 HB2 SER A 116 -1.522 9.369 -3.944 1.00 0.40 H new ATOM 0 HB3 SER A 116 -2.704 9.832 -2.736 1.00 0.40 H new ATOM 0 HG SER A 116 -2.904 10.029 -5.581 1.00 4.33 H new ATOM 1959 N LEU A 117 0.571 10.904 -2.827 1.00 45.25 N ATOM 1960 CA LEU A 117 1.671 10.759 -1.870 1.00 70.24 C ATOM 1961 C LEU A 117 2.220 12.126 -1.419 1.00 73.21 C ATOM 1962 O LEU A 117 2.476 12.332 -0.233 1.00 32.53 O ATOM 1963 CB LEU A 117 2.797 9.915 -2.491 1.00 54.11 C ATOM 1964 CG LEU A 117 3.885 9.435 -1.514 1.00 44.11 C ATOM 1965 CD1 LEU A 117 3.299 8.476 -0.476 1.00 73.15 C ATOM 1966 CD2 LEU A 117 5.038 8.777 -2.272 1.00 2.51 C ATOM 0 H LEU A 117 0.766 10.504 -3.745 1.00 45.25 H new ATOM 0 HA LEU A 117 1.281 10.253 -0.987 1.00 70.24 H new ATOM 0 HB2 LEU A 117 2.351 9.042 -2.968 1.00 54.11 H new ATOM 0 HB3 LEU A 117 3.273 10.500 -3.278 1.00 54.11 H new ATOM 0 HG LEU A 117 4.277 10.305 -0.986 1.00 44.11 H new ATOM 0 HD11 LEU A 117 4.086 8.150 0.204 1.00 73.15 H new ATOM 0 HD12 LEU A 117 2.519 8.985 0.090 1.00 73.15 H new ATOM 0 HD13 LEU A 117 2.874 7.609 -0.981 1.00 73.15 H new ATOM 0 HD21 LEU A 117 5.797 8.445 -1.563 1.00 2.51 H new ATOM 0 HD22 LEU A 117 4.663 7.920 -2.831 1.00 2.51 H new ATOM 0 HD23 LEU A 117 5.477 9.497 -2.963 1.00 2.51 H new ATOM 1978 N GLU A 118 2.381 13.062 -2.362 1.00 42.21 N ATOM 1979 CA GLU A 118 2.902 14.407 -2.048 1.00 40.33 C ATOM 1980 C GLU A 118 2.090 15.087 -0.927 1.00 23.11 C ATOM 1981 O GLU A 118 2.611 15.927 -0.191 1.00 32.32 O ATOM 1982 CB GLU A 118 2.927 15.298 -3.308 1.00 2.30 C ATOM 1983 CG GLU A 118 3.912 14.826 -4.382 1.00 23.14 C ATOM 1984 CD GLU A 118 4.116 15.838 -5.512 1.00 54.35 C ATOM 1985 OE1 GLU A 118 4.749 16.888 -5.268 1.00 61.40 O ATOM 1986 OE2 GLU A 118 3.669 15.573 -6.653 1.00 3.23 O ATOM 0 H GLU A 118 2.160 12.918 -3.347 1.00 42.21 H new ATOM 0 HA GLU A 118 3.924 14.280 -1.690 1.00 40.33 H new ATOM 0 HB2 GLU A 118 1.926 15.332 -3.737 1.00 2.30 H new ATOM 0 HB3 GLU A 118 3.183 16.316 -3.016 1.00 2.30 H new ATOM 0 HG2 GLU A 118 4.874 14.617 -3.914 1.00 23.14 H new ATOM 0 HG3 GLU A 118 3.553 13.888 -4.806 1.00 23.14 H new ATOM 1993 N ARG A 119 0.815 14.718 -0.808 1.00 43.12 N ATOM 1994 CA ARG A 119 -0.045 15.205 0.279 1.00 51.04 C ATOM 1995 C ARG A 119 -0.012 14.253 1.488 1.00 14.41 C ATOM 1996 O ARG A 119 0.203 14.676 2.625 1.00 33.34 O ATOM 1997 CB ARG A 119 -1.493 15.344 -0.215 1.00 55.51 C ATOM 1998 CG ARG A 119 -1.671 16.342 -1.354 1.00 75.22 C ATOM 1999 CD ARG A 119 -3.122 16.400 -1.828 1.00 11.12 C ATOM 2000 NE ARG A 119 -3.319 17.393 -2.880 1.00 55.04 N ATOM 2001 CZ ARG A 119 -4.300 17.362 -3.742 1.00 3.45 C ATOM 2002 NH1 ARG A 119 -5.176 16.408 -3.707 1.00 3.52 N ATOM 2003 NH2 ARG A 119 -4.403 18.287 -4.643 1.00 3.13 N ATOM 0 H ARG A 119 0.349 14.080 -1.453 1.00 43.12 H new ATOM 0 HA ARG A 119 0.335 16.178 0.591 1.00 51.04 H new ATOM 0 HB2 ARG A 119 -1.848 14.367 -0.544 1.00 55.51 H new ATOM 0 HB3 ARG A 119 -2.123 15.648 0.621 1.00 55.51 H new ATOM 0 HG2 ARG A 119 -1.355 17.332 -1.024 1.00 75.22 H new ATOM 0 HG3 ARG A 119 -1.026 16.063 -2.187 1.00 75.22 H new ATOM 0 HD2 ARG A 119 -3.422 15.419 -2.196 1.00 11.12 H new ATOM 0 HD3 ARG A 119 -3.769 16.635 -0.983 1.00 11.12 H new ATOM 0 HE ARG A 119 -2.649 18.159 -2.946 1.00 55.04 H new ATOM 0 HH11 ARG A 119 -5.103 15.674 -3.003 1.00 3.52 H new ATOM 0 HH12 ARG A 119 -5.939 16.391 -4.384 1.00 3.52 H new ATOM 0 HH21 ARG A 119 -3.717 19.041 -4.680 1.00 3.13 H new ATOM 0 HH22 ARG A 119 -5.170 18.261 -5.315 1.00 3.13 H new ATOM 2017 N LEU A 120 -0.215 12.963 1.220 1.00 64.44 N ATOM 2018 CA LEU A 120 -0.341 11.946 2.273 1.00 33.23 C ATOM 2019 C LEU A 120 0.915 11.829 3.152 1.00 3.50 C ATOM 2020 O LEU A 120 0.821 11.455 4.321 1.00 71.43 O ATOM 2021 CB LEU A 120 -0.689 10.589 1.647 1.00 65.44 C ATOM 2022 CG LEU A 120 -2.072 10.520 0.971 1.00 32.33 C ATOM 2023 CD1 LEU A 120 -2.314 9.141 0.369 1.00 4.33 C ATOM 2024 CD2 LEU A 120 -3.181 10.879 1.961 1.00 40.04 C ATOM 0 H LEU A 120 -0.297 12.591 0.274 1.00 64.44 H new ATOM 0 HA LEU A 120 -1.147 12.266 2.933 1.00 33.23 H new ATOM 0 HB2 LEU A 120 0.073 10.340 0.908 1.00 65.44 H new ATOM 0 HB3 LEU A 120 -0.642 9.825 2.423 1.00 65.44 H new ATOM 0 HG LEU A 120 -2.088 11.251 0.163 1.00 32.33 H new ATOM 0 HD11 LEU A 120 -3.297 9.117 -0.102 1.00 4.33 H new ATOM 0 HD12 LEU A 120 -1.548 8.930 -0.378 1.00 4.33 H new ATOM 0 HD13 LEU A 120 -2.271 8.388 1.156 1.00 4.33 H new ATOM 0 HD21 LEU A 120 -4.148 10.823 1.460 1.00 40.04 H new ATOM 0 HD22 LEU A 120 -3.164 10.179 2.796 1.00 40.04 H new ATOM 0 HD23 LEU A 120 -3.023 11.891 2.333 1.00 40.04 H new ATOM 2036 N ILE A 121 2.084 12.147 2.597 1.00 50.14 N ATOM 2037 CA ILE A 121 3.324 12.178 3.385 1.00 20.14 C ATOM 2038 C ILE A 121 3.172 13.090 4.613 1.00 52.33 C ATOM 2039 O ILE A 121 3.605 12.753 5.721 1.00 43.34 O ATOM 2040 CB ILE A 121 4.526 12.657 2.528 1.00 45.43 C ATOM 2041 CG1 ILE A 121 4.906 11.582 1.494 1.00 1.24 C ATOM 2042 CG2 ILE A 121 5.726 13.018 3.405 1.00 73.44 C ATOM 2043 CD1 ILE A 121 6.056 11.977 0.593 1.00 42.33 C ATOM 0 H ILE A 121 2.202 12.386 1.612 1.00 50.14 H new ATOM 0 HA ILE A 121 3.519 11.159 3.720 1.00 20.14 H new ATOM 0 HB ILE A 121 4.225 13.560 1.997 1.00 45.43 H new ATOM 0 HG12 ILE A 121 5.168 10.663 2.019 1.00 1.24 H new ATOM 0 HG13 ILE A 121 4.034 11.360 0.878 1.00 1.24 H new ATOM 0 HG21 ILE A 121 6.551 13.350 2.774 1.00 73.44 H new ATOM 0 HG22 ILE A 121 5.448 13.819 4.090 1.00 73.44 H new ATOM 0 HG23 ILE A 121 6.035 12.143 3.977 1.00 73.44 H new ATOM 0 HD11 ILE A 121 6.264 11.168 -0.107 1.00 42.33 H new ATOM 0 HD12 ILE A 121 5.791 12.878 0.039 1.00 42.33 H new ATOM 0 HD13 ILE A 121 6.942 12.170 1.198 1.00 42.33 H new ATOM 2055 N ARG A 122 2.517 14.228 4.406 1.00 41.34 N ATOM 2056 CA ARG A 122 2.283 15.206 5.471 1.00 62.12 C ATOM 2057 C ARG A 122 1.330 14.636 6.533 1.00 74.04 C ATOM 2058 O ARG A 122 1.405 14.985 7.712 1.00 44.11 O ATOM 2059 CB ARG A 122 1.686 16.489 4.872 1.00 24.55 C ATOM 2060 CG ARG A 122 2.414 16.985 3.623 1.00 42.24 C ATOM 2061 CD ARG A 122 1.709 18.180 2.986 1.00 42.25 C ATOM 2062 NE ARG A 122 1.853 19.398 3.781 1.00 15.44 N ATOM 2063 CZ ARG A 122 1.041 20.418 3.720 1.00 53.02 C ATOM 2064 NH1 ARG A 122 -0.051 20.365 3.028 1.00 5.11 N ATOM 2065 NH2 ARG A 122 1.313 21.488 4.383 1.00 54.40 N ATOM 0 H ARG A 122 2.134 14.501 3.501 1.00 41.34 H new ATOM 0 HA ARG A 122 3.236 15.435 5.949 1.00 62.12 H new ATOM 0 HB2 ARG A 122 0.640 16.310 4.624 1.00 24.55 H new ATOM 0 HB3 ARG A 122 1.705 17.274 5.628 1.00 24.55 H new ATOM 0 HG2 ARG A 122 3.435 17.264 3.885 1.00 42.24 H new ATOM 0 HG3 ARG A 122 2.481 16.175 2.897 1.00 42.24 H new ATOM 0 HD2 ARG A 122 2.115 18.350 1.989 1.00 42.25 H new ATOM 0 HD3 ARG A 122 0.650 17.952 2.864 1.00 42.25 H new ATOM 0 HE ARG A 122 2.641 19.455 4.427 1.00 15.44 H new ATOM 0 HH11 ARG A 122 -0.290 19.515 2.517 1.00 5.11 H new ATOM 0 HH12 ARG A 122 -0.672 21.173 2.993 1.00 5.11 H new ATOM 0 HH21 ARG A 122 2.159 21.535 4.951 1.00 54.40 H new ATOM 0 HH22 ARG A 122 0.683 22.289 4.340 1.00 54.40 H new ATOM 2079 N GLU A 123 0.433 13.753 6.097 1.00 11.33 N ATOM 2080 CA GLU A 123 -0.582 13.159 6.976 1.00 64.51 C ATOM 2081 C GLU A 123 -0.053 11.912 7.711 1.00 11.33 C ATOM 2082 O GLU A 123 -0.486 11.602 8.822 1.00 15.11 O ATOM 2083 CB GLU A 123 -1.825 12.782 6.153 1.00 10.14 C ATOM 2084 CG GLU A 123 -2.361 13.908 5.267 1.00 54.32 C ATOM 2085 CD GLU A 123 -2.685 15.181 6.036 1.00 40.42 C ATOM 2086 OE1 GLU A 123 -3.618 15.162 6.868 1.00 31.11 O ATOM 2087 OE2 GLU A 123 -2.016 16.211 5.802 1.00 11.30 O ATOM 0 H GLU A 123 0.386 13.428 5.131 1.00 11.33 H new ATOM 0 HA GLU A 123 -0.841 13.903 7.729 1.00 64.51 H new ATOM 0 HB2 GLU A 123 -1.583 11.925 5.524 1.00 10.14 H new ATOM 0 HB3 GLU A 123 -2.615 12.465 6.834 1.00 10.14 H new ATOM 0 HG2 GLU A 123 -1.625 14.136 4.496 1.00 54.32 H new ATOM 0 HG3 GLU A 123 -3.260 13.562 4.757 1.00 54.32 H new