USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 801 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.048) USER MOD Single : A 13 TYR OH : rot -45:sc= -0.185 USER MOD Single : A 15 SER OG : rot 61:sc= 0.913 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= -0.132 (180deg=-0.132) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 33 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0329 F(o=-0.63,f=-0.033) USER MOD Single : A 55 LYS NZ :NH3+ -135:sc= -0.552 (180deg=-2.85!) USER MOD Single : A 63 LYS NZ :NH3+ -152:sc= -0.0281 (180deg=-0.714) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.033 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -51:sc= 1.15 USER MOD Single : A 94 SER OG : rot 4:sc= 0.263 USER MOD Single : A 99 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.33) USER MOD Single : A 106 HIS : no HD1:sc= -0.0221 X(o=-0.022,f=-0.2) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -0.0662 K(o=-0.066,f=-1.8!) USER MOD Single : A 124 ASN : amide:sc= -0.248 K(o=-0.25,f=-2.9!) USER MOD Single : A 125 GLN : amide:sc= -5.92! C(o=-5.9!,f=-6.7!) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 GLN :FLIP amide:sc= -0.0783 F(o=-0.8,f=-0.078) USER MOD ----------------------------------------------------------------- ATOM 94 N HIS A 9 -14.756 1.537 -2.945 1.00 22.41 N ATOM 95 CA HIS A 9 -15.812 1.872 -3.893 1.00 40.14 C ATOM 96 C HIS A 9 -17.005 2.499 -3.178 1.00 0.44 C ATOM 97 O HIS A 9 -17.178 2.326 -1.971 1.00 31.34 O ATOM 98 CB HIS A 9 -16.257 0.624 -4.656 1.00 13.31 C ATOM 99 CG HIS A 9 -15.499 0.397 -5.927 1.00 14.24 C ATOM 100 ND1 HIS A 9 -15.181 -0.858 -6.400 1.00 60.14 N ATOM 101 CD2 HIS A 9 -14.996 1.274 -6.827 1.00 65.44 C ATOM 102 CE1 HIS A 9 -14.514 -0.744 -7.534 1.00 42.51 C ATOM 103 NE2 HIS A 9 -14.389 0.540 -7.816 1.00 14.34 N ATOM 0 HA HIS A 9 -15.413 2.598 -4.602 1.00 40.14 H new ATOM 0 HB2 HIS A 9 -16.139 -0.247 -4.012 1.00 13.31 H new ATOM 0 HB3 HIS A 9 -17.319 0.708 -4.886 1.00 13.31 H new ATOM 0 HD2 HIS A 9 -15.060 2.351 -6.777 1.00 65.44 H new ATOM 0 HE1 HIS A 9 -14.135 -1.562 -8.129 1.00 42.51 H new ATOM 0 HE2 HIS A 9 -13.918 0.924 -8.635 1.00 14.34 H new ATOM 111 N ILE A 10 -17.825 3.225 -3.929 1.00 62.41 N ATOM 112 CA ILE A 10 -19.002 3.876 -3.367 1.00 5.23 C ATOM 113 C ILE A 10 -20.282 3.328 -3.988 1.00 41.15 C ATOM 114 O ILE A 10 -20.509 3.465 -5.189 1.00 13.04 O ATOM 115 CB ILE A 10 -18.955 5.401 -3.575 1.00 51.44 C ATOM 116 CG1 ILE A 10 -17.776 6.006 -2.812 1.00 72.52 C ATOM 117 CG2 ILE A 10 -20.264 6.036 -3.130 1.00 54.40 C ATOM 118 CD1 ILE A 10 -17.905 5.893 -1.310 1.00 33.02 C ATOM 0 H ILE A 10 -17.696 3.378 -4.929 1.00 62.41 H new ATOM 0 HA ILE A 10 -19.000 3.664 -2.298 1.00 5.23 H new ATOM 0 HB ILE A 10 -18.818 5.604 -4.637 1.00 51.44 H new ATOM 0 HG12 ILE A 10 -16.857 5.511 -3.128 1.00 72.52 H new ATOM 0 HG13 ILE A 10 -17.681 7.058 -3.082 1.00 72.52 H new ATOM 0 HG21 ILE A 10 -20.216 7.114 -3.283 1.00 54.40 H new ATOM 0 HG22 ILE A 10 -21.086 5.623 -3.715 1.00 54.40 H new ATOM 0 HG23 ILE A 10 -20.429 5.827 -2.073 1.00 54.40 H new ATOM 0 HD11 ILE A 10 -17.033 6.343 -0.835 1.00 33.02 H new ATOM 0 HD12 ILE A 10 -18.805 6.412 -0.982 1.00 33.02 H new ATOM 0 HD13 ILE A 10 -17.970 4.842 -1.028 1.00 33.02 H new ATOM 130 N GLU A 11 -21.117 2.710 -3.159 1.00 14.33 N ATOM 131 CA GLU A 11 -22.377 2.143 -3.627 1.00 21.25 C ATOM 132 C GLU A 11 -23.432 3.231 -3.802 1.00 42.40 C ATOM 133 O GLU A 11 -23.327 4.310 -3.220 1.00 51.11 O ATOM 134 CB GLU A 11 -22.880 1.082 -2.645 1.00 50.43 C ATOM 135 CG GLU A 11 -22.762 -0.339 -3.172 1.00 44.11 C ATOM 136 CD GLU A 11 -23.721 -0.620 -4.312 1.00 11.42 C ATOM 137 OE1 GLU A 11 -23.590 0.028 -5.371 1.00 55.02 O ATOM 138 OE2 GLU A 11 -24.603 -1.489 -4.146 1.00 31.51 O1- ATOM 0 H GLU A 11 -20.944 2.589 -2.161 1.00 14.33 H new ATOM 0 HA GLU A 11 -22.198 1.676 -4.596 1.00 21.25 H new ATOM 0 HB2 GLU A 11 -22.317 1.164 -1.715 1.00 50.43 H new ATOM 0 HB3 GLU A 11 -23.923 1.286 -2.405 1.00 50.43 H new ATOM 0 HG2 GLU A 11 -21.741 -0.513 -3.510 1.00 44.11 H new ATOM 0 HG3 GLU A 11 -22.953 -1.041 -2.360 1.00 44.11 H new ATOM 145 N GLU A 12 -24.447 2.938 -4.609 1.00 22.22 N ATOM 146 CA GLU A 12 -25.520 3.892 -4.862 1.00 35.34 C ATOM 147 C GLU A 12 -26.867 3.181 -4.967 1.00 30.44 C ATOM 148 O GLU A 12 -27.116 2.436 -5.915 1.00 41.32 O ATOM 149 CB GLU A 12 -25.244 4.676 -6.147 1.00 64.20 C ATOM 150 CG GLU A 12 -24.249 5.810 -5.966 1.00 75.35 C ATOM 151 CD GLU A 12 -23.495 6.133 -7.240 1.00 25.02 C ATOM 152 OE1 GLU A 12 -22.831 5.227 -7.784 1.00 51.50 O ATOM 153 OE2 GLU A 12 -23.568 7.295 -7.694 1.00 22.11 O1- ATOM 0 H GLU A 12 -24.549 2.049 -5.098 1.00 22.22 H new ATOM 0 HA GLU A 12 -25.559 4.586 -4.023 1.00 35.34 H new ATOM 0 HB2 GLU A 12 -24.867 3.991 -6.907 1.00 64.20 H new ATOM 0 HB3 GLU A 12 -26.182 5.084 -6.523 1.00 64.20 H new ATOM 0 HG2 GLU A 12 -24.777 6.701 -5.625 1.00 75.35 H new ATOM 0 HG3 GLU A 12 -23.537 5.543 -5.185 1.00 75.35 H new ATOM 160 N TYR A 13 -27.731 3.416 -3.986 1.00 22.50 N ATOM 161 CA TYR A 13 -29.052 2.797 -3.966 1.00 61.54 C ATOM 162 C TYR A 13 -30.145 3.836 -4.197 1.00 2.15 C ATOM 163 O TYR A 13 -30.017 4.988 -3.785 1.00 12.31 O ATOM 164 CB TYR A 13 -29.283 2.085 -2.632 1.00 3.33 C ATOM 165 CG TYR A 13 -28.555 0.765 -2.515 1.00 52.40 C ATOM 166 CD1 TYR A 13 -27.183 0.724 -2.297 1.00 2.40 C ATOM 167 CD2 TYR A 13 -29.237 -0.440 -2.625 1.00 44.14 C ATOM 168 CE1 TYR A 13 -26.513 -0.481 -2.191 1.00 40.42 C ATOM 169 CE2 TYR A 13 -28.576 -1.648 -2.519 1.00 2.10 C ATOM 170 CZ TYR A 13 -27.214 -1.663 -2.302 1.00 52.02 C ATOM 171 OH TYR A 13 -26.551 -2.865 -2.197 1.00 41.41 O ATOM 0 H TYR A 13 -27.541 4.030 -3.194 1.00 22.50 H new ATOM 0 HA TYR A 13 -29.095 2.066 -4.774 1.00 61.54 H new ATOM 0 HB2 TYR A 13 -28.964 2.739 -1.821 1.00 3.33 H new ATOM 0 HB3 TYR A 13 -30.352 1.914 -2.502 1.00 3.33 H new ATOM 0 HD1 TYR A 13 -26.631 1.648 -2.209 1.00 2.40 H new ATOM 0 HD2 TYR A 13 -30.303 -0.432 -2.796 1.00 44.14 H new ATOM 0 HE1 TYR A 13 -25.446 -0.496 -2.022 1.00 40.42 H new ATOM 0 HE2 TYR A 13 -29.122 -2.576 -2.606 1.00 2.10 H new ATOM 0 HH TYR A 13 -25.728 -2.832 -2.728 1.00 41.41 H new ATOM 181 N GLU A 14 -31.219 3.417 -4.858 1.00 51.13 N ATOM 182 CA GLU A 14 -32.334 4.312 -5.145 1.00 44.05 C ATOM 183 C GLU A 14 -33.601 3.848 -4.429 1.00 34.43 C ATOM 184 O GLU A 14 -33.796 2.655 -4.202 1.00 43.23 O ATOM 185 CB GLU A 14 -32.585 4.383 -6.653 1.00 41.01 C ATOM 186 CG GLU A 14 -33.001 5.763 -7.135 1.00 63.43 C ATOM 187 CD GLU A 14 -32.896 5.910 -8.641 1.00 53.14 C ATOM 188 OE1 GLU A 14 -31.789 5.705 -9.182 1.00 2.11 O ATOM 189 OE2 GLU A 14 -33.921 6.230 -9.279 1.00 40.11 O1- ATOM 0 H GLU A 14 -31.341 2.465 -5.204 1.00 51.13 H new ATOM 0 HA GLU A 14 -32.073 5.305 -4.780 1.00 44.05 H new ATOM 0 HB2 GLU A 14 -31.679 4.081 -7.179 1.00 41.01 H new ATOM 0 HB3 GLU A 14 -33.361 3.665 -6.918 1.00 41.01 H new ATOM 0 HG2 GLU A 14 -34.028 5.958 -6.825 1.00 63.43 H new ATOM 0 HG3 GLU A 14 -32.375 6.515 -6.655 1.00 63.43 H new ATOM 196 N SER A 15 -34.457 4.802 -4.076 1.00 45.22 N ATOM 197 CA SER A 15 -35.702 4.494 -3.383 1.00 21.12 C ATOM 198 C SER A 15 -36.671 5.669 -3.458 1.00 40.40 C ATOM 199 O SER A 15 -36.477 6.691 -2.799 1.00 61.11 O ATOM 200 CB SER A 15 -35.421 4.141 -1.921 1.00 50.55 C ATOM 201 OG SER A 15 -34.047 4.299 -1.613 1.00 60.35 O ATOM 0 H SER A 15 -34.311 5.795 -4.259 1.00 45.22 H new ATOM 0 HA SER A 15 -36.161 3.637 -3.875 1.00 21.12 H new ATOM 0 HB2 SER A 15 -36.019 4.778 -1.269 1.00 50.55 H new ATOM 0 HB3 SER A 15 -35.724 3.112 -1.727 1.00 50.55 H new ATOM 0 HG SER A 15 -33.784 5.232 -1.759 1.00 60.35 H new ATOM 207 N GLU A 16 -37.715 5.517 -4.267 1.00 11.34 N ATOM 208 CA GLU A 16 -38.715 6.565 -4.429 1.00 40.23 C ATOM 209 C GLU A 16 -40.126 5.997 -4.306 1.00 3.23 C ATOM 210 O GLU A 16 -40.435 4.950 -4.875 1.00 64.35 O ATOM 211 CB GLU A 16 -38.547 7.255 -5.784 1.00 4.30 C ATOM 212 CG GLU A 16 -39.067 6.435 -6.953 1.00 43.20 C ATOM 213 CD GLU A 16 -38.411 6.810 -8.267 1.00 63.23 C ATOM 214 OE1 GLU A 16 -37.920 7.953 -8.380 1.00 62.45 O ATOM 215 OE2 GLU A 16 -38.388 5.963 -9.184 1.00 71.20 O1- ATOM 0 H GLU A 16 -37.890 4.678 -4.820 1.00 11.34 H new ATOM 0 HA GLU A 16 -38.568 7.297 -3.635 1.00 40.23 H new ATOM 0 HB2 GLU A 16 -39.068 8.212 -5.762 1.00 4.30 H new ATOM 0 HB3 GLU A 16 -37.491 7.471 -5.944 1.00 4.30 H new ATOM 0 HG2 GLU A 16 -38.895 5.377 -6.755 1.00 43.20 H new ATOM 0 HG3 GLU A 16 -40.145 6.573 -7.037 1.00 43.20 H new ATOM 222 N ALA A 17 -40.975 6.694 -3.560 1.00 45.31 N ATOM 223 CA ALA A 17 -42.353 6.261 -3.363 1.00 31.31 C ATOM 224 C ALA A 17 -43.190 6.506 -4.614 1.00 53.14 C ATOM 225 O ALA A 17 -43.674 7.615 -4.840 1.00 52.54 O ATOM 226 CB ALA A 17 -42.966 6.975 -2.168 1.00 33.40 C ATOM 0 H ALA A 17 -40.733 7.562 -3.081 1.00 45.31 H new ATOM 0 HA ALA A 17 -42.345 5.189 -3.167 1.00 31.31 H new ATOM 0 HB1 ALA A 17 -43.995 6.641 -2.033 1.00 33.40 H new ATOM 0 HB2 ALA A 17 -42.390 6.745 -1.272 1.00 33.40 H new ATOM 0 HB3 ALA A 17 -42.953 8.051 -2.341 1.00 33.40 H new ATOM 232 N ARG A 18 -43.355 5.465 -5.423 1.00 33.11 N ATOM 233 CA ARG A 18 -44.133 5.569 -6.653 1.00 74.51 C ATOM 234 C ARG A 18 -45.616 5.332 -6.381 1.00 1.22 C ATOM 235 O ARG A 18 -45.979 4.510 -5.539 1.00 0.43 O ATOM 236 CB ARG A 18 -43.626 4.562 -7.687 1.00 24.01 C ATOM 237 CG ARG A 18 -42.127 4.632 -7.923 1.00 71.34 C ATOM 238 CD ARG A 18 -41.664 3.560 -8.896 1.00 21.32 C ATOM 239 NE ARG A 18 -41.565 2.249 -8.260 1.00 34.15 N ATOM 240 CZ ARG A 18 -40.581 1.902 -7.439 1.00 3.12 C ATOM 241 NH1 ARG A 18 -39.615 2.766 -7.155 1.00 25.32 N1+ ATOM 242 NH2 ARG A 18 -40.561 0.691 -6.899 1.00 33.24 N ATOM 0 H ARG A 18 -42.961 4.540 -5.250 1.00 33.11 H new ATOM 0 HA ARG A 18 -44.011 6.578 -7.047 1.00 74.51 H new ATOM 0 HB2 ARG A 18 -43.887 3.556 -7.359 1.00 24.01 H new ATOM 0 HB3 ARG A 18 -44.142 4.733 -8.632 1.00 24.01 H new ATOM 0 HG2 ARG A 18 -41.865 5.616 -8.313 1.00 71.34 H new ATOM 0 HG3 ARG A 18 -41.603 4.515 -6.975 1.00 71.34 H new ATOM 0 HD2 ARG A 18 -42.360 3.505 -9.733 1.00 21.32 H new ATOM 0 HD3 ARG A 18 -40.693 3.838 -9.306 1.00 21.32 H new ATOM 0 HE ARG A 18 -42.292 1.562 -8.458 1.00 34.15 H new ATOM 0 HH11 ARG A 18 -39.627 3.699 -7.568 1.00 25.32 H new ATOM 0 HH12 ARG A 18 -38.860 2.498 -6.524 1.00 25.32 H new ATOM 0 HH21 ARG A 18 -41.302 0.024 -7.114 1.00 33.24 H new ATOM 0 HH22 ARG A 18 -39.804 0.426 -6.268 1.00 33.24 H new ATOM 256 N ASP A 19 -46.466 6.059 -7.096 1.00 32.20 N ATOM 257 CA ASP A 19 -47.909 5.928 -6.932 1.00 41.34 C ATOM 258 C ASP A 19 -48.385 4.552 -7.390 1.00 44.41 C ATOM 259 O ASP A 19 -48.095 4.122 -8.506 1.00 5.35 O ATOM 260 CB ASP A 19 -48.634 7.021 -7.720 1.00 22.55 C ATOM 261 CG ASP A 19 -48.481 6.852 -9.219 1.00 73.34 C ATOM 262 OD1 ASP A 19 -47.392 6.428 -9.660 1.00 3.01 O ATOM 263 OD2 ASP A 19 -49.450 7.143 -9.951 1.00 24.34 O1- ATOM 0 H ASP A 19 -46.181 6.745 -7.795 1.00 32.20 H new ATOM 0 HA ASP A 19 -48.142 6.039 -5.873 1.00 41.34 H new ATOM 0 HB2 ASP A 19 -49.693 7.009 -7.462 1.00 22.55 H new ATOM 0 HB3 ASP A 19 -48.245 7.996 -7.426 1.00 22.55 H new ATOM 268 N THR A 20 -49.119 3.866 -6.519 1.00 61.12 N ATOM 269 CA THR A 20 -49.634 2.539 -6.832 1.00 12.12 C ATOM 270 C THR A 20 -50.931 2.626 -7.628 1.00 54.32 C ATOM 271 O THR A 20 -51.529 3.696 -7.745 1.00 54.42 O ATOM 272 CB THR A 20 -49.884 1.718 -5.553 1.00 40.23 C ATOM 273 OG1 THR A 20 -50.302 0.392 -5.896 1.00 70.42 O ATOM 274 CG2 THR A 20 -50.942 2.381 -4.683 1.00 72.02 C ATOM 0 H THR A 20 -49.370 4.208 -5.591 1.00 61.12 H new ATOM 0 HA THR A 20 -48.875 2.039 -7.434 1.00 12.12 H new ATOM 0 HB THR A 20 -48.952 1.670 -4.990 1.00 40.23 H new ATOM 0 HG1 THR A 20 -50.457 -0.124 -5.077 1.00 70.42 H new ATOM 0 HG21 THR A 20 -51.102 1.783 -3.786 1.00 72.02 H new ATOM 0 HG22 THR A 20 -50.607 3.379 -4.400 1.00 72.02 H new ATOM 0 HG23 THR A 20 -51.876 2.456 -5.240 1.00 72.02 H new ATOM 282 N LYS A 21 -51.360 1.495 -8.175 1.00 3.44 N ATOM 283 CA LYS A 21 -52.588 1.440 -8.959 1.00 22.44 C ATOM 284 C LYS A 21 -53.790 1.141 -8.069 1.00 14.33 C ATOM 285 O LYS A 21 -54.902 0.939 -8.559 1.00 74.45 O ATOM 286 CB LYS A 21 -52.473 0.377 -10.053 1.00 24.43 C ATOM 287 CG LYS A 21 -52.186 -1.016 -9.520 1.00 51.34 C ATOM 288 CD LYS A 21 -53.409 -1.913 -9.616 1.00 33.02 C ATOM 289 CE LYS A 21 -53.481 -2.885 -8.449 1.00 63.52 C ATOM 290 NZ LYS A 21 -54.816 -3.535 -8.349 1.00 64.01 N1+ ATOM 0 H LYS A 21 -50.875 0.602 -8.090 1.00 3.44 H new ATOM 0 HA LYS A 21 -52.736 2.415 -9.423 1.00 22.44 H new ATOM 0 HB2 LYS A 21 -53.401 0.354 -10.625 1.00 24.43 H new ATOM 0 HB3 LYS A 21 -51.680 0.663 -10.744 1.00 24.43 H new ATOM 0 HG2 LYS A 21 -51.364 -1.459 -10.082 1.00 51.34 H new ATOM 0 HG3 LYS A 21 -51.863 -0.950 -8.481 1.00 51.34 H new ATOM 0 HD2 LYS A 21 -54.310 -1.300 -9.636 1.00 33.02 H new ATOM 0 HD3 LYS A 21 -53.381 -2.469 -10.553 1.00 33.02 H new ATOM 0 HE2 LYS A 21 -52.713 -3.650 -8.566 1.00 63.52 H new ATOM 0 HE3 LYS A 21 -53.265 -2.355 -7.521 1.00 63.52 H new ATOM 0 HZ1 LYS A 21 -54.824 -4.190 -7.541 1.00 64.01 H new ATOM 0 HZ2 LYS A 21 -55.547 -2.808 -8.212 1.00 64.01 H new ATOM 0 HZ3 LYS A 21 -55.012 -4.062 -9.224 1.00 64.01 H new ATOM 304 N LEU A 22 -53.561 1.116 -6.761 1.00 11.11 N ATOM 305 CA LEU A 22 -54.625 0.843 -5.802 1.00 62.04 C ATOM 306 C LEU A 22 -55.129 2.135 -5.167 1.00 2.31 C ATOM 307 O LEU A 22 -56.106 2.131 -4.419 1.00 51.15 O ATOM 308 CB LEU A 22 -54.128 -0.113 -4.717 1.00 32.22 C ATOM 309 CG LEU A 22 -55.072 -1.257 -4.346 1.00 53.13 C ATOM 310 CD1 LEU A 22 -56.373 -0.713 -3.777 1.00 24.41 C ATOM 311 CD2 LEU A 22 -55.345 -2.137 -5.558 1.00 34.53 C ATOM 0 H LEU A 22 -52.647 1.282 -6.340 1.00 11.11 H new ATOM 0 HA LEU A 22 -55.452 0.376 -6.337 1.00 62.04 H new ATOM 0 HB2 LEU A 22 -53.181 -0.542 -5.045 1.00 32.22 H new ATOM 0 HB3 LEU A 22 -53.921 0.467 -3.817 1.00 32.22 H new ATOM 0 HG LEU A 22 -54.591 -1.865 -3.580 1.00 53.13 H new ATOM 0 HD11 LEU A 22 -57.032 -1.542 -3.519 1.00 24.41 H new ATOM 0 HD12 LEU A 22 -56.162 -0.125 -2.883 1.00 24.41 H new ATOM 0 HD13 LEU A 22 -56.859 -0.081 -4.520 1.00 24.41 H new ATOM 0 HD21 LEU A 22 -56.019 -2.946 -5.276 1.00 34.53 H new ATOM 0 HD22 LEU A 22 -55.805 -1.540 -6.345 1.00 34.53 H new ATOM 0 HD23 LEU A 22 -54.407 -2.556 -5.922 1.00 34.53 H new ATOM 323 N GLY A 23 -54.456 3.241 -5.471 1.00 52.15 N ATOM 324 CA GLY A 23 -54.852 4.525 -4.922 1.00 43.34 C ATOM 325 C GLY A 23 -54.042 4.907 -3.700 1.00 14.33 C ATOM 326 O GLY A 23 -54.503 4.795 -2.564 1.00 42.31 O ATOM 0 H GLY A 23 -53.644 3.271 -6.087 1.00 52.15 H new ATOM 0 HA2 GLY A 23 -54.737 5.294 -5.686 1.00 43.34 H new ATOM 0 HA3 GLY A 23 -55.909 4.494 -4.658 1.00 43.34 H new ATOM 330 N PRO A 24 -52.804 5.370 -3.926 1.00 42.45 N ATOM 331 CA PRO A 24 -51.902 5.778 -2.846 1.00 55.11 C ATOM 332 C PRO A 24 -52.360 7.061 -2.161 1.00 31.25 C ATOM 333 O PRO A 24 -53.174 7.807 -2.704 1.00 23.44 O ATOM 334 CB PRO A 24 -50.568 6.003 -3.564 1.00 4.11 C ATOM 335 CG PRO A 24 -50.944 6.321 -4.970 1.00 61.03 C ATOM 336 CD PRO A 24 -52.190 5.529 -5.255 1.00 45.53 C ATOM 0 HA PRO A 24 -51.855 5.033 -2.052 1.00 55.11 H new ATOM 0 HB2 PRO A 24 -50.007 6.820 -3.110 1.00 4.11 H new ATOM 0 HB3 PRO A 24 -49.937 5.116 -3.514 1.00 4.11 H new ATOM 0 HG2 PRO A 24 -51.124 7.389 -5.094 1.00 61.03 H new ATOM 0 HG3 PRO A 24 -50.144 6.050 -5.659 1.00 61.03 H new ATOM 0 HD2 PRO A 24 -52.852 6.055 -5.943 1.00 45.53 H new ATOM 0 HD3 PRO A 24 -51.959 4.565 -5.709 1.00 45.53 H new ATOM 344 N GLU A 25 -51.832 7.311 -0.968 1.00 30.43 N ATOM 345 CA GLU A 25 -52.189 8.505 -0.209 1.00 61.13 C ATOM 346 C GLU A 25 -50.966 9.092 0.487 1.00 2.52 C ATOM 347 O GLU A 25 -50.776 10.308 0.508 1.00 75.32 O ATOM 348 CB GLU A 25 -53.269 8.175 0.824 1.00 32.13 C ATOM 349 CG GLU A 25 -54.115 9.373 1.224 1.00 54.54 C ATOM 350 CD GLU A 25 -54.860 9.979 0.051 1.00 55.02 C ATOM 351 OE1 GLU A 25 -55.541 9.223 -0.674 1.00 54.21 O ATOM 352 OE2 GLU A 25 -54.762 11.208 -0.143 1.00 12.11 O1- ATOM 0 H GLU A 25 -51.156 6.704 -0.505 1.00 30.43 H new ATOM 0 HA GLU A 25 -52.579 9.246 -0.907 1.00 61.13 H new ATOM 0 HB2 GLU A 25 -53.920 7.399 0.421 1.00 32.13 H new ATOM 0 HB3 GLU A 25 -52.794 7.762 1.714 1.00 32.13 H new ATOM 0 HG2 GLU A 25 -54.832 9.068 1.987 1.00 54.54 H new ATOM 0 HG3 GLU A 25 -53.474 10.132 1.674 1.00 54.54 H new ATOM 359 N GLU A 26 -50.140 8.220 1.057 1.00 43.40 N ATOM 360 CA GLU A 26 -48.936 8.653 1.757 1.00 42.11 C ATOM 361 C GLU A 26 -47.976 7.485 1.963 1.00 25.51 C ATOM 362 O GLU A 26 -48.386 6.324 1.959 1.00 40.12 O ATOM 363 CB GLU A 26 -49.300 9.273 3.108 1.00 74.23 C ATOM 364 CG GLU A 26 -49.714 8.253 4.154 1.00 70.14 C ATOM 365 CD GLU A 26 -50.651 8.832 5.196 1.00 31.34 C ATOM 366 OE1 GLU A 26 -50.155 9.353 6.217 1.00 24.24 O ATOM 367 OE2 GLU A 26 -51.881 8.765 4.990 1.00 61.41 O1- ATOM 0 H GLU A 26 -50.282 7.210 1.048 1.00 43.40 H new ATOM 0 HA GLU A 26 -48.440 9.404 1.142 1.00 42.11 H new ATOM 0 HB2 GLU A 26 -48.445 9.837 3.481 1.00 74.23 H new ATOM 0 HB3 GLU A 26 -50.113 9.984 2.964 1.00 74.23 H new ATOM 0 HG2 GLU A 26 -50.200 7.411 3.662 1.00 70.14 H new ATOM 0 HG3 GLU A 26 -48.824 7.863 4.648 1.00 70.14 H new ATOM 374 N ILE A 27 -46.699 7.802 2.142 1.00 34.23 N ATOM 375 CA ILE A 27 -45.681 6.779 2.349 1.00 51.54 C ATOM 376 C ILE A 27 -45.613 6.361 3.814 1.00 3.43 C ATOM 377 O ILE A 27 -45.823 7.173 4.715 1.00 75.14 O ATOM 378 CB ILE A 27 -44.291 7.270 1.903 1.00 31.11 C ATOM 379 CG1 ILE A 27 -43.335 6.086 1.745 1.00 64.55 C ATOM 380 CG2 ILE A 27 -43.738 8.275 2.902 1.00 22.12 C ATOM 381 CD1 ILE A 27 -41.931 6.491 1.354 1.00 33.44 C ATOM 0 H ILE A 27 -46.344 8.758 2.148 1.00 34.23 H new ATOM 0 HA ILE A 27 -45.967 5.921 1.741 1.00 51.54 H new ATOM 0 HB ILE A 27 -44.389 7.765 0.937 1.00 31.11 H new ATOM 0 HG12 ILE A 27 -43.297 5.533 2.683 1.00 64.55 H new ATOM 0 HG13 ILE A 27 -43.732 5.407 0.990 1.00 64.55 H new ATOM 0 HG21 ILE A 27 -42.755 8.612 2.573 1.00 22.12 H new ATOM 0 HG22 ILE A 27 -44.411 9.129 2.969 1.00 22.12 H new ATOM 0 HG23 ILE A 27 -43.651 7.804 3.881 1.00 22.12 H new ATOM 0 HD11 ILE A 27 -41.309 5.601 1.260 1.00 33.44 H new ATOM 0 HD12 ILE A 27 -41.957 7.018 0.400 1.00 33.44 H new ATOM 0 HD13 ILE A 27 -41.515 7.146 2.120 1.00 33.44 H new ATOM 393 N THR A 28 -45.317 5.085 4.046 1.00 23.51 N ATOM 394 CA THR A 28 -45.219 4.557 5.401 1.00 45.35 C ATOM 395 C THR A 28 -44.232 3.399 5.470 1.00 32.33 C ATOM 396 O THR A 28 -43.635 3.018 4.463 1.00 33.43 O ATOM 397 CB THR A 28 -46.591 4.079 5.917 1.00 53.03 C ATOM 398 OG1 THR A 28 -46.531 3.854 7.329 1.00 4.11 O ATOM 399 CG2 THR A 28 -47.019 2.802 5.211 1.00 21.31 C ATOM 0 H THR A 28 -45.141 4.399 3.312 1.00 23.51 H new ATOM 0 HA THR A 28 -44.864 5.371 6.033 1.00 45.35 H new ATOM 0 HB THR A 28 -47.326 4.855 5.705 1.00 53.03 H new ATOM 0 HG1 THR A 28 -47.407 3.552 7.650 1.00 4.11 H new ATOM 0 HG21 THR A 28 -47.990 2.484 5.591 1.00 21.31 H new ATOM 0 HG22 THR A 28 -47.092 2.986 4.139 1.00 21.31 H new ATOM 0 HG23 THR A 28 -46.283 2.020 5.396 1.00 21.31 H new ATOM 407 N ARG A 29 -44.064 2.841 6.666 1.00 14.42 N ATOM 408 CA ARG A 29 -43.147 1.726 6.866 1.00 74.04 C ATOM 409 C ARG A 29 -43.874 0.525 7.464 1.00 61.04 C ATOM 410 O ARG A 29 -44.533 0.637 8.497 1.00 23.41 O ATOM 411 CB ARG A 29 -41.994 2.144 7.780 1.00 13.44 C ATOM 412 CG ARG A 29 -42.331 3.312 8.691 1.00 21.03 C ATOM 413 CD ARG A 29 -43.361 2.920 9.741 1.00 15.43 C ATOM 414 NE ARG A 29 -43.195 3.676 10.979 1.00 11.32 N ATOM 415 CZ ARG A 29 -43.839 3.390 12.106 1.00 74.13 C ATOM 416 NH1 ARG A 29 -44.687 2.372 12.149 1.00 53.55 N1+ ATOM 417 NH2 ARG A 29 -43.634 4.124 13.192 1.00 74.03 N ATOM 0 H ARG A 29 -44.551 3.143 7.510 1.00 14.42 H new ATOM 0 HA ARG A 29 -42.746 1.439 5.894 1.00 74.04 H new ATOM 0 HB2 ARG A 29 -41.699 1.291 8.391 1.00 13.44 H new ATOM 0 HB3 ARG A 29 -41.133 2.410 7.166 1.00 13.44 H new ATOM 0 HG2 ARG A 29 -41.424 3.665 9.183 1.00 21.03 H new ATOM 0 HG3 ARG A 29 -42.714 4.141 8.096 1.00 21.03 H new ATOM 0 HD2 ARG A 29 -44.363 3.087 9.346 1.00 15.43 H new ATOM 0 HD3 ARG A 29 -43.275 1.854 9.953 1.00 15.43 H new ATOM 0 HE ARG A 29 -42.550 4.466 10.979 1.00 11.32 H new ATOM 0 HH11 ARG A 29 -44.847 1.806 11.316 1.00 53.55 H new ATOM 0 HH12 ARG A 29 -45.180 2.155 13.015 1.00 53.55 H new ATOM 0 HH21 ARG A 29 -42.982 4.908 13.162 1.00 74.03 H new ATOM 0 HH22 ARG A 29 -44.128 3.904 14.057 1.00 74.03 H new ATOM 431 N ASP A 30 -43.750 -0.623 6.807 1.00 64.35 N ATOM 432 CA ASP A 30 -44.395 -1.845 7.273 1.00 0.23 C ATOM 433 C ASP A 30 -43.563 -3.071 6.910 1.00 34.02 C ATOM 434 O ASP A 30 -43.718 -3.642 5.831 1.00 14.01 O ATOM 435 CB ASP A 30 -45.796 -1.969 6.673 1.00 31.35 C ATOM 436 CG ASP A 30 -46.404 -3.338 6.900 1.00 31.41 C ATOM 437 OD1 ASP A 30 -46.892 -3.593 8.020 1.00 64.23 O ATOM 438 OD2 ASP A 30 -46.391 -4.158 5.957 1.00 50.33 O1- ATOM 0 H ASP A 30 -43.208 -0.733 5.950 1.00 64.35 H new ATOM 0 HA ASP A 30 -44.477 -1.792 8.359 1.00 0.23 H new ATOM 0 HB2 ASP A 30 -46.444 -1.210 7.111 1.00 31.35 H new ATOM 0 HB3 ASP A 30 -45.749 -1.769 5.603 1.00 31.35 H new ATOM 443 N ILE A 31 -42.678 -3.468 7.818 1.00 63.23 N ATOM 444 CA ILE A 31 -41.821 -4.627 7.594 1.00 25.31 C ATOM 445 C ILE A 31 -42.208 -5.783 8.511 1.00 64.24 C ATOM 446 O ILE A 31 -41.600 -6.008 9.557 1.00 20.01 O ATOM 447 CB ILE A 31 -40.338 -4.281 7.820 1.00 73.13 C ATOM 448 CG1 ILE A 31 -40.030 -2.883 7.283 1.00 24.14 C ATOM 449 CG2 ILE A 31 -39.446 -5.319 7.154 1.00 43.12 C ATOM 450 CD1 ILE A 31 -40.373 -2.707 5.819 1.00 71.21 C ATOM 0 H ILE A 31 -42.535 -3.005 8.715 1.00 63.23 H new ATOM 0 HA ILE A 31 -41.962 -4.928 6.556 1.00 25.31 H new ATOM 0 HB ILE A 31 -40.137 -4.290 8.891 1.00 73.13 H new ATOM 0 HG12 ILE A 31 -40.583 -2.148 7.868 1.00 24.14 H new ATOM 0 HG13 ILE A 31 -38.970 -2.673 7.427 1.00 24.14 H new ATOM 0 HG21 ILE A 31 -38.400 -5.062 7.322 1.00 43.12 H new ATOM 0 HG22 ILE A 31 -39.651 -6.301 7.579 1.00 43.12 H new ATOM 0 HG23 ILE A 31 -39.647 -5.338 6.083 1.00 43.12 H new ATOM 0 HD11 ILE A 31 -40.128 -1.692 5.507 1.00 71.21 H new ATOM 0 HD12 ILE A 31 -39.800 -3.418 5.223 1.00 71.21 H new ATOM 0 HD13 ILE A 31 -41.438 -2.885 5.671 1.00 71.21 H new ATOM 462 N PRO A 32 -43.242 -6.536 8.109 1.00 34.15 N ATOM 463 CA PRO A 32 -43.733 -7.683 8.879 1.00 63.53 C ATOM 464 C PRO A 32 -42.752 -8.850 8.867 1.00 74.13 C ATOM 465 O PRO A 32 -42.042 -9.067 7.885 1.00 52.54 O ATOM 466 CB PRO A 32 -45.029 -8.065 8.159 1.00 61.33 C ATOM 467 CG PRO A 32 -44.848 -7.572 6.766 1.00 72.25 C ATOM 468 CD PRO A 32 -44.014 -6.325 6.872 1.00 11.40 C ATOM 0 HA PRO A 32 -43.871 -7.439 9.932 1.00 63.53 H new ATOM 0 HB2 PRO A 32 -45.190 -9.143 8.180 1.00 61.33 H new ATOM 0 HB3 PRO A 32 -45.896 -7.604 8.633 1.00 61.33 H new ATOM 0 HG2 PRO A 32 -44.353 -8.321 6.148 1.00 72.25 H new ATOM 0 HG3 PRO A 32 -45.810 -7.359 6.299 1.00 72.25 H new ATOM 0 HD2 PRO A 32 -43.362 -6.203 6.007 1.00 11.40 H new ATOM 0 HD3 PRO A 32 -44.634 -5.431 6.933 1.00 11.40 H new ATOM 476 N ASN A 33 -42.718 -9.600 9.964 1.00 71.22 N ATOM 477 CA ASN A 33 -41.823 -10.746 10.078 1.00 2.45 C ATOM 478 C ASN A 33 -40.364 -10.304 10.025 1.00 2.05 C ATOM 479 O ASN A 33 -39.503 -11.027 9.524 1.00 32.14 O ATOM 480 CB ASN A 33 -42.104 -11.752 8.960 1.00 52.30 C ATOM 481 CG ASN A 33 -43.587 -11.963 8.730 1.00 14.10 C ATOM 482 OD1 ASN A 33 -44.290 -12.499 9.587 1.00 31.13 O ATOM 483 ND2 ASN A 33 -44.072 -11.539 7.569 1.00 31.33 N ATOM 0 H ASN A 33 -43.299 -9.435 10.786 1.00 71.22 H new ATOM 0 HA ASN A 33 -42.005 -11.223 11.041 1.00 2.45 H new ATOM 0 HB2 ASN A 33 -41.642 -11.403 8.036 1.00 52.30 H new ATOM 0 HB3 ASN A 33 -41.639 -12.706 9.208 1.00 52.30 H new ATOM 0 HD21 ASN A 33 -45.064 -11.652 7.359 1.00 31.33 H new ATOM 0 HD22 ASN A 33 -43.453 -11.100 6.887 1.00 31.33 H new ATOM 490 N VAL A 34 -40.093 -9.112 10.548 1.00 34.42 N ATOM 491 CA VAL A 34 -38.738 -8.575 10.563 1.00 3.55 C ATOM 492 C VAL A 34 -38.090 -8.755 11.931 1.00 63.25 C ATOM 493 O VAL A 34 -38.777 -8.868 12.945 1.00 72.34 O ATOM 494 CB VAL A 34 -38.723 -7.079 10.193 1.00 61.54 C ATOM 495 CG1 VAL A 34 -39.318 -6.245 11.317 1.00 74.44 C ATOM 496 CG2 VAL A 34 -37.308 -6.624 9.871 1.00 63.24 C ATOM 0 H VAL A 34 -40.794 -8.500 10.967 1.00 34.42 H new ATOM 0 HA VAL A 34 -38.169 -9.132 9.819 1.00 3.55 H new ATOM 0 HB VAL A 34 -39.337 -6.936 9.304 1.00 61.54 H new ATOM 0 HG11 VAL A 34 -39.299 -5.192 11.038 1.00 74.44 H new ATOM 0 HG12 VAL A 34 -40.348 -6.555 11.494 1.00 74.44 H new ATOM 0 HG13 VAL A 34 -38.734 -6.390 12.226 1.00 74.44 H new ATOM 0 HG21 VAL A 34 -37.316 -5.565 9.612 1.00 63.24 H new ATOM 0 HG22 VAL A 34 -36.669 -6.780 10.740 1.00 63.24 H new ATOM 0 HG23 VAL A 34 -36.923 -7.200 9.030 1.00 63.24 H new ATOM 506 N GLY A 35 -36.760 -8.780 11.951 1.00 71.54 N ATOM 507 CA GLY A 35 -36.040 -8.946 13.201 1.00 61.21 C ATOM 508 C GLY A 35 -35.844 -7.635 13.935 1.00 63.23 C ATOM 509 O GLY A 35 -35.958 -6.562 13.344 1.00 50.52 O ATOM 0 H GLY A 35 -36.169 -8.688 11.125 1.00 71.54 H new ATOM 0 HA2 GLY A 35 -36.585 -9.639 13.841 1.00 61.21 H new ATOM 0 HA3 GLY A 35 -35.067 -9.395 13.000 1.00 61.21 H new ATOM 513 N GLU A 36 -35.551 -7.722 15.230 1.00 25.34 N ATOM 514 CA GLU A 36 -35.341 -6.531 16.046 1.00 23.30 C ATOM 515 C GLU A 36 -34.016 -5.860 15.697 1.00 75.14 C ATOM 516 O GLU A 36 -33.857 -4.650 15.867 1.00 34.31 O ATOM 517 CB GLU A 36 -35.367 -6.894 17.532 1.00 11.14 C ATOM 518 CG GLU A 36 -36.721 -7.385 18.015 1.00 41.24 C ATOM 519 CD GLU A 36 -37.778 -6.298 17.990 1.00 1.32 C ATOM 520 OE1 GLU A 36 -38.425 -6.123 16.937 1.00 11.12 O ATOM 521 OE2 GLU A 36 -37.960 -5.624 19.026 1.00 24.50 O1- ATOM 0 H GLU A 36 -35.454 -8.603 15.735 1.00 25.34 H new ATOM 0 HA GLU A 36 -36.149 -5.830 15.837 1.00 23.30 H new ATOM 0 HB2 GLU A 36 -34.621 -7.666 17.722 1.00 11.14 H new ATOM 0 HB3 GLU A 36 -35.077 -6.020 18.116 1.00 11.14 H new ATOM 0 HG2 GLU A 36 -37.046 -8.217 17.390 1.00 41.24 H new ATOM 0 HG3 GLU A 36 -36.623 -7.768 19.031 1.00 41.24 H new ATOM 528 N ASP A 37 -33.067 -6.653 15.212 1.00 22.02 N ATOM 529 CA ASP A 37 -31.755 -6.136 14.840 1.00 32.15 C ATOM 530 C ASP A 37 -31.849 -5.265 13.591 1.00 14.55 C ATOM 531 O ASP A 37 -31.161 -4.250 13.478 1.00 61.42 O ATOM 532 CB ASP A 37 -30.779 -7.289 14.600 1.00 75.52 C ATOM 533 CG ASP A 37 -31.316 -8.306 13.612 1.00 61.23 C ATOM 534 OD1 ASP A 37 -32.328 -8.966 13.930 1.00 2.44 O ATOM 535 OD2 ASP A 37 -30.724 -8.442 12.521 1.00 44.23 O1- ATOM 0 H ASP A 37 -33.182 -7.656 15.067 1.00 22.02 H new ATOM 0 HA ASP A 37 -31.386 -5.523 15.662 1.00 32.15 H new ATOM 0 HB2 ASP A 37 -29.835 -6.891 14.230 1.00 75.52 H new ATOM 0 HB3 ASP A 37 -30.566 -7.784 15.547 1.00 75.52 H new ATOM 540 N ALA A 38 -32.704 -5.668 12.656 1.00 41.12 N ATOM 541 CA ALA A 38 -32.887 -4.923 11.417 1.00 33.22 C ATOM 542 C ALA A 38 -33.607 -3.603 11.671 1.00 61.11 C ATOM 543 O ALA A 38 -33.494 -2.660 10.887 1.00 73.30 O ATOM 544 CB ALA A 38 -33.658 -5.761 10.408 1.00 54.45 C ATOM 0 H ALA A 38 -33.280 -6.506 12.734 1.00 41.12 H new ATOM 0 HA ALA A 38 -31.902 -4.696 11.009 1.00 33.22 H new ATOM 0 HB1 ALA A 38 -33.788 -5.193 9.487 1.00 54.45 H new ATOM 0 HB2 ALA A 38 -33.104 -6.675 10.195 1.00 54.45 H new ATOM 0 HB3 ALA A 38 -34.635 -6.016 10.818 1.00 54.45 H new ATOM 550 N LEU A 39 -34.350 -3.542 12.771 1.00 44.35 N ATOM 551 CA LEU A 39 -35.091 -2.337 13.130 1.00 51.12 C ATOM 552 C LEU A 39 -34.510 -1.693 14.385 1.00 25.44 C ATOM 553 O LEU A 39 -35.143 -0.840 15.006 1.00 75.32 O ATOM 554 CB LEU A 39 -36.568 -2.668 13.349 1.00 75.42 C ATOM 555 CG LEU A 39 -36.865 -3.763 14.374 1.00 63.45 C ATOM 556 CD1 LEU A 39 -36.955 -3.173 15.773 1.00 3.12 C ATOM 557 CD2 LEU A 39 -38.151 -4.494 14.017 1.00 33.13 C ATOM 0 H LEU A 39 -34.455 -4.313 13.430 1.00 44.35 H new ATOM 0 HA LEU A 39 -35.003 -1.628 12.307 1.00 51.12 H new ATOM 0 HB2 LEU A 39 -37.081 -1.758 13.660 1.00 75.42 H new ATOM 0 HB3 LEU A 39 -36.999 -2.966 12.393 1.00 75.42 H new ATOM 0 HG LEU A 39 -36.046 -4.482 14.357 1.00 63.45 H new ATOM 0 HD11 LEU A 39 -37.167 -3.967 16.490 1.00 3.12 H new ATOM 0 HD12 LEU A 39 -36.009 -2.697 16.029 1.00 3.12 H new ATOM 0 HD13 LEU A 39 -37.754 -2.432 15.805 1.00 3.12 H new ATOM 0 HD21 LEU A 39 -38.346 -5.270 14.758 1.00 33.13 H new ATOM 0 HD22 LEU A 39 -38.980 -3.787 14.005 1.00 33.13 H new ATOM 0 HD23 LEU A 39 -38.049 -4.950 13.032 1.00 33.13 H new ATOM 569 N ARG A 40 -33.300 -2.107 14.750 1.00 20.52 N ATOM 570 CA ARG A 40 -32.634 -1.571 15.931 1.00 43.52 C ATOM 571 C ARG A 40 -32.147 -0.146 15.679 1.00 33.33 C ATOM 572 O ARG A 40 -31.987 0.638 16.613 1.00 61.33 O ATOM 573 CB ARG A 40 -31.455 -2.462 16.326 1.00 31.43 C ATOM 574 CG ARG A 40 -30.236 -2.290 15.436 1.00 41.24 C ATOM 575 CD ARG A 40 -29.267 -3.451 15.587 1.00 43.45 C ATOM 576 NE ARG A 40 -28.219 -3.167 16.563 1.00 63.04 N ATOM 577 CZ ARG A 40 -27.341 -4.071 16.984 1.00 32.22 C ATOM 578 NH1 ARG A 40 -27.384 -5.311 16.514 1.00 22.50 N1+ ATOM 579 NH2 ARG A 40 -26.416 -3.736 17.874 1.00 20.05 N ATOM 0 H ARG A 40 -32.762 -2.811 14.245 1.00 20.52 H new ATOM 0 HA ARG A 40 -33.355 -1.552 16.748 1.00 43.52 H new ATOM 0 HB2 ARG A 40 -31.175 -2.244 17.357 1.00 31.43 H new ATOM 0 HB3 ARG A 40 -31.772 -3.504 16.296 1.00 31.43 H new ATOM 0 HG2 ARG A 40 -30.552 -2.212 14.396 1.00 41.24 H new ATOM 0 HG3 ARG A 40 -29.730 -1.358 15.687 1.00 41.24 H new ATOM 0 HD2 ARG A 40 -29.815 -4.343 15.893 1.00 43.45 H new ATOM 0 HD3 ARG A 40 -28.812 -3.671 14.621 1.00 43.45 H new ATOM 0 HE ARG A 40 -28.157 -2.222 16.943 1.00 63.04 H new ATOM 0 HH11 ARG A 40 -28.092 -5.572 15.828 1.00 22.50 H new ATOM 0 HH12 ARG A 40 -26.709 -6.003 16.839 1.00 22.50 H new ATOM 0 HH21 ARG A 40 -26.378 -2.783 18.236 1.00 20.05 H new ATOM 0 HH22 ARG A 40 -25.743 -4.431 18.196 1.00 20.05 H new ATOM 593 N ASN A 41 -31.913 0.179 14.413 1.00 55.32 N ATOM 594 CA ASN A 41 -31.444 1.508 14.038 1.00 71.13 C ATOM 595 C ASN A 41 -32.543 2.293 13.330 1.00 35.30 C ATOM 596 O ASN A 41 -32.539 3.526 13.330 1.00 31.23 O ATOM 597 CB ASN A 41 -30.214 1.402 13.135 1.00 34.41 C ATOM 598 CG ASN A 41 -28.982 0.938 13.887 1.00 10.32 C ATOM 599 OD1 ASN A 41 -28.611 -0.323 13.695 1.00 32.53 O flip ATOM 600 ND2 ASN A 41 -28.372 1.704 14.633 1.00 61.32 N flip ATOM 0 H ASN A 41 -32.040 -0.460 13.628 1.00 55.32 H new ATOM 0 HA ASN A 41 -31.172 2.040 14.949 1.00 71.13 H new ATOM 0 HB2 ASN A 41 -30.423 0.707 12.322 1.00 34.41 H new ATOM 0 HB3 ASN A 41 -30.015 2.373 12.681 1.00 34.41 H new ATOM 0 HD21 ASN A 41 -28.693 2.665 14.750 1.00 61.32 H new ATOM 0 HD22 ASN A 41 -27.545 1.378 15.134 1.00 61.32 H new ATOM 607 N LEU A 42 -33.484 1.574 12.728 1.00 5.31 N ATOM 608 CA LEU A 42 -34.591 2.203 12.016 1.00 1.45 C ATOM 609 C LEU A 42 -35.390 3.111 12.946 1.00 41.30 C ATOM 610 O LEU A 42 -35.867 2.676 13.995 1.00 64.12 O ATOM 611 CB LEU A 42 -35.507 1.137 11.412 1.00 35.41 C ATOM 612 CG LEU A 42 -36.276 1.547 10.156 1.00 32.44 C ATOM 613 CD1 LEU A 42 -35.517 1.129 8.906 1.00 21.05 C ATOM 614 CD2 LEU A 42 -37.671 0.939 10.165 1.00 43.22 C ATOM 0 H LEU A 42 -33.503 0.554 12.719 1.00 5.31 H new ATOM 0 HA LEU A 42 -34.176 2.812 11.213 1.00 1.45 H new ATOM 0 HB2 LEU A 42 -34.904 0.260 11.175 1.00 35.41 H new ATOM 0 HB3 LEU A 42 -36.227 0.833 12.172 1.00 35.41 H new ATOM 0 HG LEU A 42 -36.374 2.633 10.149 1.00 32.44 H new ATOM 0 HD11 LEU A 42 -36.079 1.429 8.022 1.00 21.05 H new ATOM 0 HD12 LEU A 42 -34.540 1.611 8.895 1.00 21.05 H new ATOM 0 HD13 LEU A 42 -35.388 0.047 8.904 1.00 21.05 H new ATOM 0 HD21 LEU A 42 -38.205 1.241 9.264 1.00 43.22 H new ATOM 0 HD22 LEU A 42 -37.594 -0.148 10.194 1.00 43.22 H new ATOM 0 HD23 LEU A 42 -38.214 1.288 11.043 1.00 43.22 H new ATOM 626 N ASP A 43 -35.535 4.371 12.553 1.00 10.14 N ATOM 627 CA ASP A 43 -36.281 5.339 13.349 1.00 31.33 C ATOM 628 C ASP A 43 -37.763 5.314 12.988 1.00 31.33 C ATOM 629 O ASP A 43 -38.212 4.458 12.226 1.00 2.34 O ATOM 630 CB ASP A 43 -35.716 6.745 13.142 1.00 44.20 C ATOM 631 CG ASP A 43 -34.247 6.837 13.500 1.00 54.04 C ATOM 632 OD1 ASP A 43 -33.904 6.583 14.674 1.00 1.31 O ATOM 633 OD2 ASP A 43 -33.438 7.163 12.606 1.00 30.34 O1- ATOM 0 H ASP A 43 -35.146 4.747 11.688 1.00 10.14 H new ATOM 0 HA ASP A 43 -36.177 5.065 14.399 1.00 31.33 H new ATOM 0 HB2 ASP A 43 -35.852 7.038 12.101 1.00 44.20 H new ATOM 0 HB3 ASP A 43 -36.280 7.453 13.749 1.00 44.20 H new ATOM 638 N ASP A 44 -38.517 6.257 13.540 1.00 73.33 N ATOM 639 CA ASP A 44 -39.950 6.344 13.276 1.00 11.43 C ATOM 640 C ASP A 44 -40.212 6.702 11.816 1.00 44.41 C ATOM 641 O ASP A 44 -41.309 6.484 11.301 1.00 0.12 O ATOM 642 CB ASP A 44 -40.597 7.383 14.193 1.00 63.23 C ATOM 643 CG ASP A 44 -40.868 6.839 15.582 1.00 31.34 C ATOM 644 OD1 ASP A 44 -40.726 5.615 15.778 1.00 40.13 O ATOM 645 OD2 ASP A 44 -41.224 7.638 16.473 1.00 13.32 O1- ATOM 0 H ASP A 44 -38.161 6.973 14.173 1.00 73.33 H new ATOM 0 HA ASP A 44 -40.392 5.368 13.477 1.00 11.43 H new ATOM 0 HB2 ASP A 44 -39.946 8.254 14.267 1.00 63.23 H new ATOM 0 HB3 ASP A 44 -41.533 7.722 13.750 1.00 63.23 H new ATOM 650 N ARG A 45 -39.198 7.253 11.156 1.00 71.11 N ATOM 651 CA ARG A 45 -39.320 7.642 9.756 1.00 52.13 C ATOM 652 C ARG A 45 -39.245 6.423 8.843 1.00 35.45 C ATOM 653 O ARG A 45 -39.708 6.457 7.704 1.00 3.22 O ATOM 654 CB ARG A 45 -38.222 8.640 9.385 1.00 65.04 C ATOM 655 CG ARG A 45 -38.356 9.982 10.085 1.00 43.34 C ATOM 656 CD ARG A 45 -37.681 9.970 11.447 1.00 43.42 C ATOM 657 NE ARG A 45 -37.439 11.320 11.951 1.00 64.23 N ATOM 658 CZ ARG A 45 -36.953 11.578 13.160 1.00 23.12 C ATOM 659 NH1 ARG A 45 -36.658 10.582 13.984 1.00 63.01 N1+ ATOM 660 NH2 ARG A 45 -36.760 12.833 13.546 1.00 3.01 N ATOM 0 H ARG A 45 -38.284 7.440 11.568 1.00 71.11 H new ATOM 0 HA ARG A 45 -40.293 8.115 9.620 1.00 52.13 H new ATOM 0 HB2 ARG A 45 -37.252 8.207 9.630 1.00 65.04 H new ATOM 0 HB3 ARG A 45 -38.237 8.799 8.307 1.00 65.04 H new ATOM 0 HG2 ARG A 45 -37.914 10.762 9.466 1.00 43.34 H new ATOM 0 HG3 ARG A 45 -39.411 10.228 10.203 1.00 43.34 H new ATOM 0 HD2 ARG A 45 -38.305 9.425 12.156 1.00 43.42 H new ATOM 0 HD3 ARG A 45 -36.734 9.434 11.378 1.00 43.42 H new ATOM 0 HE ARG A 45 -37.655 12.108 11.341 1.00 64.23 H new ATOM 0 HH11 ARG A 45 -36.804 9.616 13.690 1.00 63.01 H new ATOM 0 HH12 ARG A 45 -36.285 10.781 14.912 1.00 63.01 H new ATOM 0 HH21 ARG A 45 -36.985 13.601 12.914 1.00 3.01 H new ATOM 0 HH22 ARG A 45 -36.387 13.029 14.475 1.00 3.01 H new ATOM 674 N GLY A 46 -38.656 5.345 9.352 1.00 63.25 N ATOM 675 CA GLY A 46 -38.530 4.129 8.569 1.00 13.20 C ATOM 676 C GLY A 46 -37.190 4.029 7.866 1.00 41.41 C ATOM 677 O GLY A 46 -37.050 3.301 6.883 1.00 11.40 O ATOM 0 H GLY A 46 -38.264 5.292 10.292 1.00 63.25 H new ATOM 0 HA2 GLY A 46 -38.660 3.265 9.221 1.00 13.20 H new ATOM 0 HA3 GLY A 46 -39.329 4.093 7.829 1.00 13.20 H new ATOM 681 N VAL A 47 -36.203 4.763 8.371 1.00 30.53 N ATOM 682 CA VAL A 47 -34.868 4.754 7.784 1.00 42.32 C ATOM 683 C VAL A 47 -33.818 4.357 8.816 1.00 35.22 C ATOM 684 O VAL A 47 -33.821 4.854 9.942 1.00 74.45 O ATOM 685 CB VAL A 47 -34.502 6.131 7.200 1.00 33.24 C ATOM 686 CG1 VAL A 47 -34.449 7.181 8.300 1.00 62.32 C ATOM 687 CG2 VAL A 47 -33.178 6.059 6.456 1.00 11.24 C ATOM 0 H VAL A 47 -36.303 5.371 9.184 1.00 30.53 H new ATOM 0 HA VAL A 47 -34.881 4.019 6.980 1.00 42.32 H new ATOM 0 HB VAL A 47 -35.276 6.422 6.490 1.00 33.24 H new ATOM 0 HG11 VAL A 47 -34.189 8.147 7.868 1.00 62.32 H new ATOM 0 HG12 VAL A 47 -35.423 7.250 8.784 1.00 62.32 H new ATOM 0 HG13 VAL A 47 -33.697 6.899 9.037 1.00 62.32 H new ATOM 0 HG21 VAL A 47 -32.935 7.041 6.050 1.00 11.24 H new ATOM 0 HG22 VAL A 47 -32.392 5.745 7.142 1.00 11.24 H new ATOM 0 HG23 VAL A 47 -33.257 5.339 5.642 1.00 11.24 H new ATOM 697 N ILE A 48 -32.921 3.458 8.422 1.00 4.11 N ATOM 698 CA ILE A 48 -31.864 2.995 9.312 1.00 23.31 C ATOM 699 C ILE A 48 -30.864 4.109 9.605 1.00 42.35 C ATOM 700 O ILE A 48 -30.421 4.813 8.697 1.00 21.41 O ATOM 701 CB ILE A 48 -31.112 1.791 8.715 1.00 74.51 C ATOM 702 CG1 ILE A 48 -32.074 0.621 8.494 1.00 2.21 C ATOM 703 CG2 ILE A 48 -29.966 1.377 9.625 1.00 61.43 C ATOM 704 CD1 ILE A 48 -32.635 0.050 9.777 1.00 11.41 C ATOM 0 H ILE A 48 -32.906 3.037 7.493 1.00 4.11 H new ATOM 0 HA ILE A 48 -32.346 2.689 10.240 1.00 23.31 H new ATOM 0 HB ILE A 48 -30.696 2.083 7.751 1.00 74.51 H new ATOM 0 HG12 ILE A 48 -32.898 0.953 7.863 1.00 2.21 H new ATOM 0 HG13 ILE A 48 -31.554 -0.169 7.951 1.00 2.21 H new ATOM 0 HG21 ILE A 48 -29.445 0.525 9.189 1.00 61.43 H new ATOM 0 HG22 ILE A 48 -29.271 2.209 9.737 1.00 61.43 H new ATOM 0 HG23 ILE A 48 -30.360 1.100 10.603 1.00 61.43 H new ATOM 0 HD11 ILE A 48 -33.308 -0.775 9.544 1.00 11.41 H new ATOM 0 HD12 ILE A 48 -31.819 -0.313 10.401 1.00 11.41 H new ATOM 0 HD13 ILE A 48 -33.183 0.826 10.311 1.00 11.41 H new ATOM 716 N ARG A 49 -30.512 4.262 10.877 1.00 61.21 N ATOM 717 CA ARG A 49 -29.565 5.290 11.289 1.00 55.21 C ATOM 718 C ARG A 49 -28.201 5.064 10.642 1.00 4.43 C ATOM 719 O ARG A 49 -27.919 3.980 10.130 1.00 74.42 O ATOM 720 CB ARG A 49 -29.422 5.302 12.813 1.00 75.12 C ATOM 721 CG ARG A 49 -28.756 6.556 13.353 1.00 63.14 C ATOM 722 CD ARG A 49 -28.906 6.661 14.863 1.00 21.00 C ATOM 723 NE ARG A 49 -30.178 7.265 15.247 1.00 40.53 N ATOM 724 CZ ARG A 49 -30.577 7.403 16.506 1.00 35.01 C ATOM 725 NH1 ARG A 49 -29.805 6.981 17.499 1.00 2.42 N1+ ATOM 726 NH2 ARG A 49 -31.748 7.964 16.775 1.00 44.41 N ATOM 0 H ARG A 49 -30.869 3.687 11.640 1.00 61.21 H new ATOM 0 HA ARG A 49 -29.950 6.255 10.959 1.00 55.21 H new ATOM 0 HB2 ARG A 49 -30.410 5.203 13.263 1.00 75.12 H new ATOM 0 HB3 ARG A 49 -28.843 4.432 13.122 1.00 75.12 H new ATOM 0 HG2 ARG A 49 -27.698 6.549 13.091 1.00 63.14 H new ATOM 0 HG3 ARG A 49 -29.195 7.435 12.881 1.00 63.14 H new ATOM 0 HD2 ARG A 49 -28.829 5.667 15.305 1.00 21.00 H new ATOM 0 HD3 ARG A 49 -28.086 7.254 15.268 1.00 21.00 H new ATOM 0 HE ARG A 49 -30.795 7.600 14.507 1.00 40.53 H new ATOM 0 HH11 ARG A 49 -28.903 6.550 17.296 1.00 2.42 H new ATOM 0 HH12 ARG A 49 -30.113 7.088 18.465 1.00 2.42 H new ATOM 0 HH21 ARG A 49 -32.344 8.290 16.014 1.00 44.41 H new ATOM 0 HH22 ARG A 49 -32.053 8.069 17.743 1.00 44.41 H new ATOM 740 N ILE A 50 -27.361 6.092 10.670 1.00 42.34 N ATOM 741 CA ILE A 50 -26.028 6.006 10.087 1.00 64.41 C ATOM 742 C ILE A 50 -25.086 5.211 10.985 1.00 25.51 C ATOM 743 O ILE A 50 -25.269 5.157 12.200 1.00 50.31 O ATOM 744 CB ILE A 50 -25.428 7.403 9.841 1.00 4.21 C ATOM 745 CG1 ILE A 50 -26.462 8.315 9.178 1.00 31.11 C ATOM 746 CG2 ILE A 50 -24.176 7.298 8.984 1.00 54.25 C ATOM 747 CD1 ILE A 50 -26.945 7.807 7.837 1.00 54.33 C ATOM 0 H ILE A 50 -27.580 6.995 11.091 1.00 42.34 H new ATOM 0 HA ILE A 50 -26.135 5.493 9.131 1.00 64.41 H new ATOM 0 HB ILE A 50 -25.150 7.839 10.801 1.00 4.21 H new ATOM 0 HG12 ILE A 50 -27.317 8.426 9.845 1.00 31.11 H new ATOM 0 HG13 ILE A 50 -26.029 9.307 9.047 1.00 31.11 H new ATOM 0 HG21 ILE A 50 -23.764 8.293 8.819 1.00 54.25 H new ATOM 0 HG22 ILE A 50 -23.437 6.679 9.493 1.00 54.25 H new ATOM 0 HG23 ILE A 50 -24.429 6.846 8.025 1.00 54.25 H new ATOM 0 HD11 ILE A 50 -27.676 8.503 7.426 1.00 54.33 H new ATOM 0 HD12 ILE A 50 -26.100 7.723 7.154 1.00 54.33 H new ATOM 0 HD13 ILE A 50 -27.408 6.828 7.964 1.00 54.33 H new ATOM 759 N GLY A 51 -24.076 4.596 10.377 1.00 2.14 N ATOM 760 CA GLY A 51 -23.118 3.813 11.137 1.00 43.44 C ATOM 761 C GLY A 51 -23.606 2.405 11.408 1.00 53.24 C ATOM 762 O GLY A 51 -23.044 1.696 12.243 1.00 63.33 O ATOM 0 H GLY A 51 -23.904 4.626 9.372 1.00 2.14 H new ATOM 0 HA2 GLY A 51 -22.175 3.769 10.592 1.00 43.44 H new ATOM 0 HA3 GLY A 51 -22.915 4.313 12.084 1.00 43.44 H new ATOM 766 N ALA A 52 -24.657 1.998 10.704 1.00 53.13 N ATOM 767 CA ALA A 52 -25.220 0.664 10.873 1.00 25.41 C ATOM 768 C ALA A 52 -24.829 -0.248 9.715 1.00 3.24 C ATOM 769 O ALA A 52 -25.029 0.093 8.550 1.00 33.21 O ATOM 770 CB ALA A 52 -26.735 0.743 10.996 1.00 4.44 C ATOM 0 H ALA A 52 -25.136 2.573 10.011 1.00 53.13 H new ATOM 0 HA ALA A 52 -24.813 0.238 11.790 1.00 25.41 H new ATOM 0 HB1 ALA A 52 -27.143 -0.260 11.122 1.00 4.44 H new ATOM 0 HB2 ALA A 52 -26.999 1.353 11.860 1.00 4.44 H new ATOM 0 HB3 ALA A 52 -27.150 1.193 10.094 1.00 4.44 H new ATOM 776 N GLU A 53 -24.270 -1.408 10.045 1.00 24.44 N ATOM 777 CA GLU A 53 -23.849 -2.368 9.031 1.00 12.23 C ATOM 778 C GLU A 53 -25.054 -2.941 8.291 1.00 61.23 C ATOM 779 O GLU A 53 -26.123 -3.128 8.874 1.00 62.55 O ATOM 780 CB GLU A 53 -23.044 -3.500 9.671 1.00 5.05 C ATOM 781 CG GLU A 53 -22.301 -4.363 8.666 1.00 63.31 C ATOM 782 CD GLU A 53 -21.196 -5.183 9.304 1.00 65.35 C ATOM 783 OE1 GLU A 53 -21.476 -6.315 9.750 1.00 22.21 O ATOM 784 OE2 GLU A 53 -20.048 -4.690 9.357 1.00 42.20 O1- ATOM 0 H GLU A 53 -24.098 -1.706 11.005 1.00 24.44 H new ATOM 0 HA GLU A 53 -23.218 -1.845 8.312 1.00 12.23 H new ATOM 0 HB2 GLU A 53 -22.326 -3.073 10.371 1.00 5.05 H new ATOM 0 HB3 GLU A 53 -23.718 -4.131 10.251 1.00 5.05 H new ATOM 0 HG2 GLU A 53 -23.008 -5.032 8.175 1.00 63.31 H new ATOM 0 HG3 GLU A 53 -21.874 -3.726 7.891 1.00 63.31 H new ATOM 791 N VAL A 54 -24.875 -3.216 7.003 1.00 22.21 N ATOM 792 CA VAL A 54 -25.946 -3.769 6.183 1.00 62.55 C ATOM 793 C VAL A 54 -25.907 -5.293 6.181 1.00 25.30 C ATOM 794 O VAL A 54 -24.842 -5.899 6.298 1.00 72.42 O ATOM 795 CB VAL A 54 -25.859 -3.263 4.731 1.00 34.21 C ATOM 796 CG1 VAL A 54 -24.603 -3.792 4.055 1.00 11.11 C ATOM 797 CG2 VAL A 54 -27.103 -3.663 3.952 1.00 22.21 C ATOM 0 H VAL A 54 -23.998 -3.065 6.505 1.00 22.21 H new ATOM 0 HA VAL A 54 -26.886 -3.433 6.622 1.00 62.55 H new ATOM 0 HB VAL A 54 -25.803 -2.175 4.747 1.00 34.21 H new ATOM 0 HG11 VAL A 54 -24.559 -3.424 3.030 1.00 11.11 H new ATOM 0 HG12 VAL A 54 -23.724 -3.450 4.601 1.00 11.11 H new ATOM 0 HG13 VAL A 54 -24.625 -4.882 4.049 1.00 11.11 H new ATOM 0 HG21 VAL A 54 -27.024 -3.297 2.928 1.00 22.21 H new ATOM 0 HG22 VAL A 54 -27.193 -4.749 3.943 1.00 22.21 H new ATOM 0 HG23 VAL A 54 -27.984 -3.230 4.426 1.00 22.21 H new ATOM 807 N LYS A 55 -27.078 -5.909 6.048 1.00 32.13 N ATOM 808 CA LYS A 55 -27.179 -7.363 6.029 1.00 11.44 C ATOM 809 C LYS A 55 -28.051 -7.832 4.869 1.00 24.20 C ATOM 810 O LYS A 55 -28.623 -7.021 4.142 1.00 53.12 O ATOM 811 CB LYS A 55 -27.756 -7.871 7.353 1.00 13.34 C ATOM 812 CG LYS A 55 -29.013 -7.141 7.789 1.00 34.42 C ATOM 813 CD LYS A 55 -29.687 -7.838 8.958 1.00 72.33 C ATOM 814 CE LYS A 55 -30.561 -6.880 9.751 1.00 54.12 C ATOM 815 NZ LYS A 55 -29.754 -5.839 10.447 1.00 75.44 N1+ ATOM 0 H LYS A 55 -27.970 -5.423 5.952 1.00 32.13 H new ATOM 0 HA LYS A 55 -26.177 -7.771 5.895 1.00 11.44 H new ATOM 0 HB2 LYS A 55 -27.978 -8.934 7.259 1.00 13.34 H new ATOM 0 HB3 LYS A 55 -27.000 -7.771 8.131 1.00 13.34 H new ATOM 0 HG2 LYS A 55 -28.762 -6.118 8.070 1.00 34.42 H new ATOM 0 HG3 LYS A 55 -29.708 -7.080 6.951 1.00 34.42 H new ATOM 0 HD2 LYS A 55 -30.294 -8.665 8.589 1.00 72.33 H new ATOM 0 HD3 LYS A 55 -28.929 -8.267 9.613 1.00 72.33 H new ATOM 0 HE2 LYS A 55 -31.274 -6.399 9.081 1.00 54.12 H new ATOM 0 HE3 LYS A 55 -31.141 -7.440 10.484 1.00 54.12 H new ATOM 0 HZ1 LYS A 55 -30.094 -5.732 11.424 1.00 75.44 H new ATOM 0 HZ2 LYS A 55 -28.754 -6.124 10.458 1.00 75.44 H new ATOM 0 HZ3 LYS A 55 -29.850 -4.933 9.946 1.00 75.44 H new ATOM 829 N ASP A 56 -28.149 -9.147 4.702 1.00 1.11 N ATOM 830 CA ASP A 56 -28.953 -9.724 3.632 1.00 50.12 C ATOM 831 C ASP A 56 -30.442 -9.584 3.935 1.00 51.21 C ATOM 832 O ASP A 56 -30.876 -9.775 5.070 1.00 22.43 O ATOM 833 CB ASP A 56 -28.597 -11.199 3.435 1.00 24.03 C ATOM 834 CG ASP A 56 -29.262 -12.097 4.459 1.00 74.11 C ATOM 835 OD1 ASP A 56 -28.963 -11.950 5.662 1.00 70.55 O ATOM 836 OD2 ASP A 56 -30.085 -12.946 4.056 1.00 42.54 O1- ATOM 0 H ASP A 56 -27.681 -9.833 5.295 1.00 1.11 H new ATOM 0 HA ASP A 56 -28.734 -9.180 2.713 1.00 50.12 H new ATOM 0 HB2 ASP A 56 -28.895 -11.511 2.434 1.00 24.03 H new ATOM 0 HB3 ASP A 56 -27.516 -11.320 3.498 1.00 24.03 H new ATOM 841 N GLY A 57 -31.220 -9.249 2.910 1.00 23.23 N ATOM 842 CA GLY A 57 -32.651 -9.088 3.088 1.00 2.42 C ATOM 843 C GLY A 57 -33.011 -7.759 3.722 1.00 30.44 C ATOM 844 O GLY A 57 -34.181 -7.491 3.997 1.00 50.43 O ATOM 0 H GLY A 57 -30.885 -9.086 1.960 1.00 23.23 H new ATOM 0 HA2 GLY A 57 -33.146 -9.171 2.120 1.00 2.42 H new ATOM 0 HA3 GLY A 57 -33.030 -9.898 3.711 1.00 2.42 H new ATOM 848 N ASP A 58 -32.004 -6.925 3.955 1.00 1.23 N ATOM 849 CA ASP A 58 -32.220 -5.617 4.562 1.00 24.33 C ATOM 850 C ASP A 58 -32.850 -4.652 3.563 1.00 44.22 C ATOM 851 O ASP A 58 -32.702 -4.813 2.350 1.00 4.32 O ATOM 852 CB ASP A 58 -30.898 -5.045 5.077 1.00 74.23 C ATOM 853 CG ASP A 58 -31.087 -4.142 6.280 1.00 42.34 C ATOM 854 OD1 ASP A 58 -32.246 -3.791 6.581 1.00 52.45 O ATOM 855 OD2 ASP A 58 -30.075 -3.784 6.918 1.00 60.24 O1- ATOM 0 H ASP A 58 -31.030 -7.131 3.733 1.00 1.23 H new ATOM 0 HA ASP A 58 -32.904 -5.742 5.401 1.00 24.33 H new ATOM 0 HB2 ASP A 58 -30.230 -5.864 5.343 1.00 74.23 H new ATOM 0 HB3 ASP A 58 -30.412 -4.484 4.278 1.00 74.23 H new ATOM 860 N LEU A 59 -33.553 -3.650 4.078 1.00 1.10 N ATOM 861 CA LEU A 59 -34.207 -2.658 3.231 1.00 32.31 C ATOM 862 C LEU A 59 -33.535 -1.296 3.369 1.00 22.24 C ATOM 863 O LEU A 59 -33.171 -0.668 2.374 1.00 63.34 O ATOM 864 CB LEU A 59 -35.689 -2.548 3.594 1.00 63.13 C ATOM 865 CG LEU A 59 -36.484 -3.853 3.579 1.00 21.11 C ATOM 866 CD1 LEU A 59 -36.098 -4.699 2.375 1.00 3.32 C ATOM 867 CD2 LEU A 59 -36.261 -4.628 4.870 1.00 13.30 C ATOM 0 H LEU A 59 -33.685 -3.502 5.079 1.00 1.10 H new ATOM 0 HA LEU A 59 -34.116 -2.983 2.195 1.00 32.31 H new ATOM 0 HB2 LEU A 59 -35.767 -2.110 4.589 1.00 63.13 H new ATOM 0 HB3 LEU A 59 -36.161 -1.851 2.902 1.00 63.13 H new ATOM 0 HG LEU A 59 -37.544 -3.610 3.502 1.00 21.11 H new ATOM 0 HD11 LEU A 59 -36.674 -5.624 2.381 1.00 3.32 H new ATOM 0 HD12 LEU A 59 -36.308 -4.146 1.459 1.00 3.32 H new ATOM 0 HD13 LEU A 59 -35.035 -4.933 2.421 1.00 3.32 H new ATOM 0 HD21 LEU A 59 -36.835 -5.554 4.842 1.00 13.30 H new ATOM 0 HD22 LEU A 59 -35.201 -4.860 4.976 1.00 13.30 H new ATOM 0 HD23 LEU A 59 -36.587 -4.025 5.717 1.00 13.30 H new ATOM 879 N LEU A 60 -33.372 -0.845 4.608 1.00 4.23 N ATOM 880 CA LEU A 60 -32.741 0.442 4.877 1.00 33.23 C ATOM 881 C LEU A 60 -33.615 1.591 4.383 1.00 4.21 C ATOM 882 O LEU A 60 -33.192 2.747 4.372 1.00 64.02 O ATOM 883 CB LEU A 60 -31.366 0.509 4.207 1.00 0.12 C ATOM 884 CG LEU A 60 -30.520 -0.763 4.283 1.00 74.51 C ATOM 885 CD1 LEU A 60 -29.348 -0.683 3.317 1.00 63.21 C ATOM 886 CD2 LEU A 60 -30.027 -0.990 5.706 1.00 1.41 C ATOM 0 H LEU A 60 -33.668 -1.352 5.442 1.00 4.23 H new ATOM 0 HA LEU A 60 -32.619 0.540 5.956 1.00 33.23 H new ATOM 0 HB2 LEU A 60 -31.508 0.765 3.157 1.00 0.12 H new ATOM 0 HB3 LEU A 60 -30.802 1.324 4.661 1.00 0.12 H new ATOM 0 HG LEU A 60 -31.143 -1.610 3.996 1.00 74.51 H new ATOM 0 HD11 LEU A 60 -28.757 -1.597 3.385 1.00 63.21 H new ATOM 0 HD12 LEU A 60 -29.722 -0.568 2.300 1.00 63.21 H new ATOM 0 HD13 LEU A 60 -28.723 0.173 3.573 1.00 63.21 H new ATOM 0 HD21 LEU A 60 -29.427 -1.899 5.742 1.00 1.41 H new ATOM 0 HD22 LEU A 60 -29.420 -0.141 6.020 1.00 1.41 H new ATOM 0 HD23 LEU A 60 -30.881 -1.092 6.375 1.00 1.41 H new ATOM 898 N VAL A 61 -34.838 1.264 3.978 1.00 0.20 N ATOM 899 CA VAL A 61 -35.773 2.269 3.487 1.00 71.21 C ATOM 900 C VAL A 61 -37.216 1.822 3.691 1.00 70.32 C ATOM 901 O VAL A 61 -37.604 0.730 3.276 1.00 31.11 O ATOM 902 CB VAL A 61 -35.546 2.566 1.992 1.00 31.34 C ATOM 903 CG1 VAL A 61 -36.672 3.425 1.440 1.00 4.22 C ATOM 904 CG2 VAL A 61 -34.198 3.239 1.782 1.00 2.31 C ATOM 0 H VAL A 61 -35.204 0.312 3.980 1.00 0.20 H new ATOM 0 HA VAL A 61 -35.591 3.177 4.061 1.00 71.21 H new ATOM 0 HB VAL A 61 -35.544 1.621 1.448 1.00 31.34 H new ATOM 0 HG11 VAL A 61 -36.493 3.624 0.383 1.00 4.22 H new ATOM 0 HG12 VAL A 61 -37.620 2.900 1.555 1.00 4.22 H new ATOM 0 HG13 VAL A 61 -36.711 4.368 1.985 1.00 4.22 H new ATOM 0 HG21 VAL A 61 -34.054 3.442 0.721 1.00 2.31 H new ATOM 0 HG22 VAL A 61 -34.169 4.176 2.338 1.00 2.31 H new ATOM 0 HG23 VAL A 61 -33.404 2.582 2.137 1.00 2.31 H new ATOM 914 N GLY A 62 -38.010 2.674 4.333 1.00 71.04 N ATOM 915 CA GLY A 62 -39.403 2.349 4.580 1.00 31.12 C ATOM 916 C GLY A 62 -40.315 2.820 3.466 1.00 34.53 C ATOM 917 O GLY A 62 -40.676 3.996 3.403 1.00 41.31 O ATOM 0 H GLY A 62 -37.713 3.584 4.686 1.00 71.04 H new ATOM 0 HA2 GLY A 62 -39.506 1.270 4.698 1.00 31.12 H new ATOM 0 HA3 GLY A 62 -39.718 2.803 5.519 1.00 31.12 H new ATOM 921 N LYS A 63 -40.688 1.901 2.581 1.00 64.14 N ATOM 922 CA LYS A 63 -41.564 2.228 1.462 1.00 33.22 C ATOM 923 C LYS A 63 -42.568 1.106 1.211 1.00 20.52 C ATOM 924 O LYS A 63 -42.228 0.074 0.632 1.00 13.53 O ATOM 925 CB LYS A 63 -40.738 2.480 0.198 1.00 74.02 C ATOM 926 CG LYS A 63 -41.426 3.389 -0.806 1.00 20.40 C ATOM 927 CD LYS A 63 -42.386 2.615 -1.694 1.00 71.32 C ATOM 928 CE LYS A 63 -43.689 3.372 -1.898 1.00 42.40 C ATOM 929 NZ LYS A 63 -44.209 3.215 -3.285 1.00 61.51 N1+ ATOM 0 H LYS A 63 -40.397 0.924 2.617 1.00 64.14 H new ATOM 0 HA LYS A 63 -42.114 3.134 1.716 1.00 33.22 H new ATOM 0 HB2 LYS A 63 -39.782 2.922 0.480 1.00 74.02 H new ATOM 0 HB3 LYS A 63 -40.519 1.525 -0.279 1.00 74.02 H new ATOM 0 HG2 LYS A 63 -41.970 4.172 -0.277 1.00 20.40 H new ATOM 0 HG3 LYS A 63 -40.676 3.884 -1.424 1.00 20.40 H new ATOM 0 HD2 LYS A 63 -41.918 2.427 -2.660 1.00 71.32 H new ATOM 0 HD3 LYS A 63 -42.595 1.643 -1.246 1.00 71.32 H new ATOM 0 HE2 LYS A 63 -44.433 3.012 -1.188 1.00 42.40 H new ATOM 0 HE3 LYS A 63 -43.532 4.430 -1.686 1.00 42.40 H new ATOM 0 HZ1 LYS A 63 -44.771 4.051 -3.542 1.00 61.51 H new ATOM 0 HZ2 LYS A 63 -43.412 3.118 -3.946 1.00 61.51 H new ATOM 0 HZ3 LYS A 63 -44.808 2.366 -3.337 1.00 61.51 H new ATOM 943 N VAL A 64 -43.805 1.317 1.649 1.00 71.05 N ATOM 944 CA VAL A 64 -44.858 0.325 1.469 1.00 72.21 C ATOM 945 C VAL A 64 -46.168 0.984 1.053 1.00 72.14 C ATOM 946 O VAL A 64 -46.609 1.958 1.663 1.00 61.31 O ATOM 947 CB VAL A 64 -45.091 -0.486 2.758 1.00 41.14 C ATOM 948 CG1 VAL A 64 -44.059 -1.596 2.886 1.00 41.34 C ATOM 949 CG2 VAL A 64 -45.057 0.427 3.974 1.00 71.41 C ATOM 0 H VAL A 64 -44.102 2.165 2.131 1.00 71.05 H new ATOM 0 HA VAL A 64 -44.527 -0.349 0.679 1.00 72.21 H new ATOM 0 HB VAL A 64 -46.078 -0.946 2.704 1.00 41.14 H new ATOM 0 HG11 VAL A 64 -44.240 -2.157 3.803 1.00 41.34 H new ATOM 0 HG12 VAL A 64 -44.136 -2.265 2.029 1.00 41.34 H new ATOM 0 HG13 VAL A 64 -43.060 -1.162 2.918 1.00 41.34 H new ATOM 0 HG21 VAL A 64 -45.223 -0.162 4.876 1.00 71.41 H new ATOM 0 HG22 VAL A 64 -44.085 0.917 4.034 1.00 71.41 H new ATOM 0 HG23 VAL A 64 -45.838 1.182 3.884 1.00 71.41 H new ATOM 959 N THR A 65 -46.790 0.444 0.008 1.00 75.31 N ATOM 960 CA THR A 65 -48.049 0.980 -0.492 1.00 21.11 C ATOM 961 C THR A 65 -49.230 0.142 -0.015 1.00 50.33 C ATOM 962 O THR A 65 -49.085 -1.021 0.360 1.00 22.30 O ATOM 963 CB THR A 65 -48.063 1.037 -2.031 1.00 51.22 C ATOM 964 OG1 THR A 65 -47.023 0.208 -2.562 1.00 52.43 O ATOM 965 CG2 THR A 65 -47.881 2.466 -2.521 1.00 65.41 C ATOM 0 H THR A 65 -46.441 -0.364 -0.508 1.00 75.31 H new ATOM 0 HA THR A 65 -48.142 1.992 -0.098 1.00 21.11 H new ATOM 0 HB THR A 65 -49.030 0.672 -2.378 1.00 51.22 H new ATOM 0 HG1 THR A 65 -47.040 0.249 -3.541 1.00 52.43 H new ATOM 0 HG21 THR A 65 -47.894 2.481 -3.611 1.00 65.41 H new ATOM 0 HG22 THR A 65 -48.691 3.087 -2.139 1.00 65.41 H new ATOM 0 HG23 THR A 65 -46.927 2.854 -2.164 1.00 65.41 H new ATOM 973 N PRO A 66 -50.429 0.746 -0.029 1.00 71.34 N ATOM 974 CA PRO A 66 -51.658 0.072 0.398 1.00 72.00 C ATOM 975 C PRO A 66 -52.088 -1.021 -0.574 1.00 31.14 C ATOM 976 O PRO A 66 -51.740 -0.990 -1.754 1.00 4.01 O ATOM 977 CB PRO A 66 -52.691 1.202 0.423 1.00 54.11 C ATOM 978 CG PRO A 66 -52.174 2.209 -0.546 1.00 72.32 C ATOM 979 CD PRO A 66 -50.674 2.130 -0.463 1.00 51.54 C ATOM 0 HA PRO A 66 -51.534 -0.433 1.356 1.00 72.00 H new ATOM 0 HB2 PRO A 66 -53.678 0.843 0.132 1.00 54.11 H new ATOM 0 HB3 PRO A 66 -52.789 1.627 1.422 1.00 54.11 H new ATOM 0 HG2 PRO A 66 -52.521 1.993 -1.556 1.00 72.32 H new ATOM 0 HG3 PRO A 66 -52.527 3.209 -0.295 1.00 72.32 H new ATOM 0 HD2 PRO A 66 -50.207 2.338 -1.426 1.00 51.54 H new ATOM 0 HD3 PRO A 66 -50.272 2.851 0.249 1.00 51.54 H new ATOM 987 N LYS A 67 -52.847 -1.989 -0.070 1.00 13.34 N ATOM 988 CA LYS A 67 -53.327 -3.092 -0.893 1.00 22.03 C ATOM 989 C LYS A 67 -54.845 -3.049 -1.031 1.00 61.40 C ATOM 990 O LYS A 67 -55.511 -2.217 -0.415 1.00 45.12 O ATOM 991 CB LYS A 67 -52.898 -4.431 -0.289 1.00 13.12 C ATOM 992 CG LYS A 67 -51.511 -4.876 -0.718 1.00 24.12 C ATOM 993 CD LYS A 67 -51.029 -6.065 0.096 1.00 43.33 C ATOM 994 CE LYS A 67 -51.819 -7.323 -0.234 1.00 51.24 C ATOM 995 NZ LYS A 67 -51.252 -8.042 -1.409 1.00 22.33 N1+ ATOM 0 H LYS A 67 -53.143 -2.031 0.905 1.00 13.34 H new ATOM 0 HA LYS A 67 -52.887 -2.989 -1.885 1.00 22.03 H new ATOM 0 HB2 LYS A 67 -52.926 -4.355 0.798 1.00 13.12 H new ATOM 0 HB3 LYS A 67 -53.620 -5.196 -0.574 1.00 13.12 H new ATOM 0 HG2 LYS A 67 -51.524 -5.139 -1.776 1.00 24.12 H new ATOM 0 HG3 LYS A 67 -50.811 -4.048 -0.604 1.00 24.12 H new ATOM 0 HD2 LYS A 67 -49.971 -6.237 -0.100 1.00 43.33 H new ATOM 0 HD3 LYS A 67 -51.124 -5.842 1.159 1.00 43.33 H new ATOM 0 HE2 LYS A 67 -51.823 -7.987 0.631 1.00 51.24 H new ATOM 0 HE3 LYS A 67 -52.857 -7.058 -0.437 1.00 51.24 H new ATOM 0 HZ1 LYS A 67 -51.818 -8.893 -1.602 1.00 22.33 H new ATOM 0 HZ2 LYS A 67 -51.272 -7.418 -2.241 1.00 22.33 H new ATOM 0 HZ3 LYS A 67 -50.270 -8.318 -1.206 1.00 22.33 H new ATOM 1009 N GLY A 68 -55.388 -3.950 -1.844 1.00 41.33 N ATOM 1010 CA GLY A 68 -56.825 -3.997 -2.046 1.00 62.55 C ATOM 1011 C GLY A 68 -57.532 -4.824 -0.991 1.00 22.32 C ATOM 1012 O GLY A 68 -56.924 -5.685 -0.356 1.00 24.52 O ATOM 0 H GLY A 68 -54.859 -4.648 -2.366 1.00 41.33 H new ATOM 0 HA2 GLY A 68 -57.224 -2.983 -2.035 1.00 62.55 H new ATOM 0 HA3 GLY A 68 -57.037 -4.412 -3.031 1.00 62.55 H new ATOM 1355 N VAL A 90 -50.730 -4.320 3.694 1.00 14.00 N ATOM 1356 CA VAL A 90 -50.026 -3.563 2.666 1.00 43.15 C ATOM 1357 C VAL A 90 -49.027 -4.441 1.923 1.00 34.22 C ATOM 1358 O VAL A 90 -48.818 -5.601 2.281 1.00 14.45 O ATOM 1359 CB VAL A 90 -49.283 -2.355 3.269 1.00 61.31 C ATOM 1360 CG1 VAL A 90 -50.262 -1.245 3.616 1.00 61.42 C ATOM 1361 CG2 VAL A 90 -48.487 -2.779 4.494 1.00 63.51 C ATOM 0 HA VAL A 90 -50.780 -3.204 1.965 1.00 43.15 H new ATOM 0 HB VAL A 90 -48.585 -1.970 2.525 1.00 61.31 H new ATOM 0 HG11 VAL A 90 -49.719 -0.401 4.040 1.00 61.42 H new ATOM 0 HG12 VAL A 90 -50.784 -0.925 2.714 1.00 61.42 H new ATOM 0 HG13 VAL A 90 -50.986 -1.613 4.343 1.00 61.42 H new ATOM 0 HG21 VAL A 90 -47.968 -1.914 4.908 1.00 63.51 H new ATOM 0 HG22 VAL A 90 -49.164 -3.189 5.244 1.00 63.51 H new ATOM 0 HG23 VAL A 90 -47.758 -3.538 4.209 1.00 63.51 H new ATOM 1371 N ARG A 91 -48.411 -3.881 0.886 1.00 25.45 N ATOM 1372 CA ARG A 91 -47.433 -4.615 0.092 1.00 3.45 C ATOM 1373 C ARG A 91 -46.030 -4.052 0.301 1.00 15.52 C ATOM 1374 O ARG A 91 -45.827 -2.839 0.270 1.00 10.53 O ATOM 1375 CB ARG A 91 -47.802 -4.555 -1.392 1.00 35.24 C ATOM 1376 CG ARG A 91 -47.122 -5.622 -2.232 1.00 1.41 C ATOM 1377 CD ARG A 91 -47.949 -5.978 -3.458 1.00 62.05 C ATOM 1378 NE ARG A 91 -47.348 -7.066 -4.227 1.00 32.31 N ATOM 1379 CZ ARG A 91 -47.954 -7.667 -5.245 1.00 62.40 C ATOM 1380 NH1 ARG A 91 -49.169 -7.287 -5.615 1.00 60.23 N1+ ATOM 1381 NH2 ARG A 91 -47.343 -8.649 -5.895 1.00 63.42 N ATOM 0 H ARG A 91 -48.572 -2.922 0.577 1.00 25.45 H new ATOM 0 HA ARG A 91 -47.441 -5.654 0.421 1.00 3.45 H new ATOM 0 HB2 ARG A 91 -48.882 -4.659 -1.493 1.00 35.24 H new ATOM 0 HB3 ARG A 91 -47.538 -3.573 -1.784 1.00 35.24 H new ATOM 0 HG2 ARG A 91 -46.139 -5.269 -2.545 1.00 1.41 H new ATOM 0 HG3 ARG A 91 -46.962 -6.515 -1.628 1.00 1.41 H new ATOM 0 HD2 ARG A 91 -48.953 -6.266 -3.147 1.00 62.05 H new ATOM 0 HD3 ARG A 91 -48.052 -5.099 -4.094 1.00 62.05 H new ATOM 0 HE ARG A 91 -46.413 -7.381 -3.968 1.00 32.31 H new ATOM 0 HH11 ARG A 91 -49.641 -6.532 -5.118 1.00 60.23 H new ATOM 0 HH12 ARG A 91 -49.632 -7.750 -6.397 1.00 60.23 H new ATOM 0 HH21 ARG A 91 -46.408 -8.943 -5.613 1.00 63.42 H new ATOM 0 HH22 ARG A 91 -47.809 -9.110 -6.677 1.00 63.42 H new ATOM 1395 N ASP A 92 -45.068 -4.942 0.515 1.00 43.34 N ATOM 1396 CA ASP A 92 -43.684 -4.536 0.729 1.00 22.20 C ATOM 1397 C ASP A 92 -42.977 -4.292 -0.600 1.00 4.24 C ATOM 1398 O ASP A 92 -42.535 -5.231 -1.263 1.00 43.15 O ATOM 1399 CB ASP A 92 -42.935 -5.601 1.531 1.00 42.30 C ATOM 1400 CG ASP A 92 -43.033 -6.976 0.901 1.00 10.14 C ATOM 1401 OD1 ASP A 92 -44.052 -7.662 1.127 1.00 24.00 O ATOM 1402 OD2 ASP A 92 -42.091 -7.366 0.180 1.00 53.42 O1- ATOM 0 H ASP A 92 -45.221 -5.950 0.545 1.00 43.34 H new ATOM 0 HA ASP A 92 -43.689 -3.604 1.294 1.00 22.20 H new ATOM 0 HB2 ASP A 92 -41.886 -5.317 1.615 1.00 42.30 H new ATOM 0 HB3 ASP A 92 -43.337 -5.639 2.543 1.00 42.30 H new ATOM 1407 N THR A 93 -42.874 -3.024 -0.986 1.00 3.24 N ATOM 1408 CA THR A 93 -42.223 -2.656 -2.237 1.00 15.11 C ATOM 1409 C THR A 93 -40.913 -1.920 -1.980 1.00 15.23 C ATOM 1410 O THR A 93 -40.442 -1.158 -2.824 1.00 31.43 O ATOM 1411 CB THR A 93 -43.135 -1.768 -3.105 1.00 51.14 C ATOM 1412 OG1 THR A 93 -42.487 -1.465 -4.345 1.00 20.55 O ATOM 1413 CG2 THR A 93 -43.483 -0.477 -2.379 1.00 32.22 C ATOM 0 H THR A 93 -43.233 -2.234 -0.450 1.00 3.24 H new ATOM 0 HA THR A 93 -42.017 -3.584 -2.770 1.00 15.11 H new ATOM 0 HB THR A 93 -44.057 -2.315 -3.302 1.00 51.14 H new ATOM 0 HG1 THR A 93 -41.587 -1.120 -4.168 1.00 20.55 H new ATOM 0 HG21 THR A 93 -44.128 0.134 -3.011 1.00 32.22 H new ATOM 0 HG22 THR A 93 -44.002 -0.711 -1.450 1.00 32.22 H new ATOM 0 HG23 THR A 93 -42.569 0.072 -2.155 1.00 32.22 H new ATOM 1421 N SER A 94 -40.327 -2.155 -0.811 1.00 41.23 N ATOM 1422 CA SER A 94 -39.072 -1.512 -0.441 1.00 71.52 C ATOM 1423 C SER A 94 -37.931 -2.000 -1.328 1.00 43.33 C ATOM 1424 O SER A 94 -38.088 -2.949 -2.097 1.00 3.02 O ATOM 1425 CB SER A 94 -38.746 -1.789 1.028 1.00 20.52 C ATOM 1426 OG SER A 94 -39.751 -1.270 1.881 1.00 2.23 O ATOM 0 H SER A 94 -40.702 -2.787 -0.103 1.00 41.23 H new ATOM 0 HA SER A 94 -39.186 -0.437 -0.583 1.00 71.52 H new ATOM 0 HB2 SER A 94 -38.650 -2.863 1.186 1.00 20.52 H new ATOM 0 HB3 SER A 94 -37.784 -1.342 1.281 1.00 20.52 H new ATOM 0 HG SER A 94 -40.475 -0.890 1.340 1.00 2.23 H new ATOM 1432 N LEU A 95 -36.781 -1.344 -1.215 1.00 11.13 N ATOM 1433 CA LEU A 95 -35.611 -1.709 -2.007 1.00 34.44 C ATOM 1434 C LEU A 95 -34.975 -2.990 -1.479 1.00 62.22 C ATOM 1435 O LEU A 95 -35.060 -3.292 -0.288 1.00 61.44 O ATOM 1436 CB LEU A 95 -34.586 -0.573 -1.992 1.00 53.31 C ATOM 1437 CG LEU A 95 -33.928 -0.281 -0.644 1.00 14.14 C ATOM 1438 CD1 LEU A 95 -32.709 -1.170 -0.441 1.00 71.33 C ATOM 1439 CD2 LEU A 95 -33.541 1.188 -0.546 1.00 61.44 C ATOM 0 H LEU A 95 -36.634 -0.557 -0.583 1.00 11.13 H new ATOM 0 HA LEU A 95 -35.936 -1.883 -3.033 1.00 34.44 H new ATOM 0 HB2 LEU A 95 -33.803 -0.808 -2.713 1.00 53.31 H new ATOM 0 HB3 LEU A 95 -35.076 0.337 -2.339 1.00 53.31 H new ATOM 0 HG LEU A 95 -34.648 -0.500 0.145 1.00 14.14 H new ATOM 0 HD11 LEU A 95 -32.253 -0.948 0.524 1.00 71.33 H new ATOM 0 HD12 LEU A 95 -33.013 -2.216 -0.466 1.00 71.33 H new ATOM 0 HD13 LEU A 95 -31.986 -0.983 -1.235 1.00 71.33 H new ATOM 0 HD21 LEU A 95 -33.074 1.378 0.420 1.00 61.44 H new ATOM 0 HD22 LEU A 95 -32.839 1.433 -1.343 1.00 61.44 H new ATOM 0 HD23 LEU A 95 -34.433 1.807 -0.645 1.00 61.44 H new ATOM 1451 N ARG A 96 -34.335 -3.739 -2.372 1.00 22.20 N ATOM 1452 CA ARG A 96 -33.683 -4.988 -1.995 1.00 2.41 C ATOM 1453 C ARG A 96 -32.193 -4.769 -1.747 1.00 14.45 C ATOM 1454 O ARG A 96 -31.553 -3.961 -2.419 1.00 63.30 O ATOM 1455 CB ARG A 96 -33.881 -6.040 -3.087 1.00 44.25 C ATOM 1456 CG ARG A 96 -35.339 -6.367 -3.362 1.00 63.41 C ATOM 1457 CD ARG A 96 -35.862 -7.429 -2.408 1.00 52.41 C ATOM 1458 NE ARG A 96 -37.314 -7.571 -2.489 1.00 50.34 N ATOM 1459 CZ ARG A 96 -37.975 -8.627 -2.030 1.00 2.41 C ATOM 1460 NH1 ARG A 96 -37.319 -9.629 -1.460 1.00 13.23 N1+ ATOM 1461 NH2 ARG A 96 -39.296 -8.684 -2.141 1.00 2.33 N ATOM 0 H ARG A 96 -34.254 -3.503 -3.361 1.00 22.20 H new ATOM 0 HA ARG A 96 -34.139 -5.344 -1.071 1.00 2.41 H new ATOM 0 HB2 ARG A 96 -33.417 -5.687 -4.008 1.00 44.25 H new ATOM 0 HB3 ARG A 96 -33.361 -6.953 -2.798 1.00 44.25 H new ATOM 0 HG2 ARG A 96 -35.940 -5.463 -3.266 1.00 63.41 H new ATOM 0 HG3 ARG A 96 -35.447 -6.714 -4.389 1.00 63.41 H new ATOM 0 HD2 ARG A 96 -35.391 -8.385 -2.637 1.00 52.41 H new ATOM 0 HD3 ARG A 96 -35.579 -7.170 -1.388 1.00 52.41 H new ATOM 0 HE ARG A 96 -37.849 -6.818 -2.922 1.00 50.34 H new ATOM 0 HH11 ARG A 96 -36.303 -9.590 -1.373 1.00 13.23 H new ATOM 0 HH12 ARG A 96 -37.830 -10.439 -1.108 1.00 13.23 H new ATOM 0 HH21 ARG A 96 -39.805 -7.916 -2.579 1.00 2.33 H new ATOM 0 HH22 ARG A 96 -39.803 -9.496 -1.788 1.00 2.33 H new ATOM 1475 N VAL A 97 -31.648 -5.496 -0.777 1.00 32.32 N ATOM 1476 CA VAL A 97 -30.234 -5.383 -0.440 1.00 32.11 C ATOM 1477 C VAL A 97 -29.539 -6.738 -0.520 1.00 2.42 C ATOM 1478 O VAL A 97 -29.987 -7.728 0.059 1.00 4.01 O ATOM 1479 CB VAL A 97 -30.038 -4.801 0.974 1.00 24.41 C ATOM 1480 CG1 VAL A 97 -28.573 -4.859 1.376 1.00 40.42 C ATOM 1481 CG2 VAL A 97 -30.563 -3.375 1.039 1.00 52.15 C ATOM 0 H VAL A 97 -32.164 -6.169 -0.211 1.00 32.32 H new ATOM 0 HA VAL A 97 -29.789 -4.706 -1.169 1.00 32.11 H new ATOM 0 HB VAL A 97 -30.607 -5.405 1.680 1.00 24.41 H new ATOM 0 HG11 VAL A 97 -28.454 -4.444 2.377 1.00 40.42 H new ATOM 0 HG12 VAL A 97 -28.235 -5.895 1.370 1.00 40.42 H new ATOM 0 HG13 VAL A 97 -27.979 -4.279 0.670 1.00 40.42 H new ATOM 0 HG21 VAL A 97 -30.417 -2.979 2.044 1.00 52.15 H new ATOM 0 HG22 VAL A 97 -30.023 -2.756 0.323 1.00 52.15 H new ATOM 0 HG23 VAL A 97 -31.626 -3.367 0.797 1.00 52.15 H new ATOM 1491 N PRO A 98 -28.420 -6.786 -1.256 1.00 12.13 N ATOM 1492 CA PRO A 98 -27.638 -8.013 -1.430 1.00 3.14 C ATOM 1493 C PRO A 98 -26.930 -8.436 -0.147 1.00 31.21 C ATOM 1494 O PRO A 98 -26.561 -7.598 0.676 1.00 54.31 O ATOM 1495 CB PRO A 98 -26.615 -7.635 -2.504 1.00 5.32 C ATOM 1496 CG PRO A 98 -26.477 -6.156 -2.391 1.00 31.15 C ATOM 1497 CD PRO A 98 -27.828 -5.644 -1.975 1.00 23.22 C ATOM 0 HA PRO A 98 -28.267 -8.861 -1.701 1.00 3.14 H new ATOM 0 HB2 PRO A 98 -25.661 -8.136 -2.336 1.00 5.32 H new ATOM 0 HB3 PRO A 98 -26.957 -7.926 -3.497 1.00 5.32 H new ATOM 0 HG2 PRO A 98 -25.716 -5.890 -1.657 1.00 31.15 H new ATOM 0 HG3 PRO A 98 -26.170 -5.719 -3.341 1.00 31.15 H new ATOM 0 HD2 PRO A 98 -27.745 -4.766 -1.335 1.00 23.22 H new ATOM 0 HD3 PRO A 98 -28.431 -5.355 -2.836 1.00 23.22 H new ATOM 1505 N HIS A 99 -26.742 -9.742 0.017 1.00 2.03 N ATOM 1506 CA HIS A 99 -26.077 -10.276 1.200 1.00 40.20 C ATOM 1507 C HIS A 99 -24.742 -9.578 1.434 1.00 23.32 C ATOM 1508 O HIS A 99 -23.930 -9.445 0.519 1.00 3.54 O ATOM 1509 CB HIS A 99 -25.859 -11.782 1.052 1.00 10.22 C ATOM 1510 CG HIS A 99 -25.285 -12.177 -0.273 1.00 63.35 C ATOM 1511 ND1 HIS A 99 -26.053 -12.655 -1.314 1.00 22.30 N ATOM 1512 CD2 HIS A 99 -24.009 -12.161 -0.725 1.00 12.11 C ATOM 1513 CE1 HIS A 99 -25.274 -12.916 -2.348 1.00 51.45 C ATOM 1514 NE2 HIS A 99 -24.029 -12.626 -2.018 1.00 54.33 N ATOM 0 H HIS A 99 -27.041 -10.449 -0.654 1.00 2.03 H new ATOM 0 HA HIS A 99 -26.719 -10.092 2.061 1.00 40.20 H new ATOM 0 HB2 HIS A 99 -25.192 -12.124 1.844 1.00 10.22 H new ATOM 0 HB3 HIS A 99 -26.811 -12.294 1.193 1.00 10.22 H new ATOM 0 HD2 HIS A 99 -23.138 -11.842 -0.172 1.00 12.11 H new ATOM 0 HE1 HIS A 99 -25.600 -13.302 -3.303 1.00 51.45 H new ATOM 0 HE2 HIS A 99 -23.215 -12.730 -2.624 1.00 54.33 H new ATOM 1522 N GLY A 100 -24.521 -9.132 2.668 1.00 52.11 N ATOM 1523 CA GLY A 100 -23.283 -8.452 2.999 1.00 34.40 C ATOM 1524 C GLY A 100 -23.309 -6.984 2.623 1.00 32.53 C ATOM 1525 O GLY A 100 -23.014 -6.119 3.447 1.00 13.43 O ATOM 0 H GLY A 100 -25.177 -9.230 3.443 1.00 52.11 H new ATOM 0 HA2 GLY A 100 -23.095 -8.547 4.068 1.00 34.40 H new ATOM 0 HA3 GLY A 100 -22.455 -8.941 2.485 1.00 34.40 H new ATOM 1529 N GLY A 101 -23.661 -6.701 1.371 1.00 3.44 N ATOM 1530 CA GLY A 101 -23.716 -5.327 0.908 1.00 63.32 C ATOM 1531 C GLY A 101 -22.371 -4.824 0.425 1.00 13.11 C ATOM 1532 O GLY A 101 -22.297 -4.038 -0.519 1.00 41.12 O ATOM 0 H GLY A 101 -23.909 -7.399 0.670 1.00 3.44 H new ATOM 0 HA2 GLY A 101 -24.442 -5.248 0.099 1.00 63.32 H new ATOM 0 HA3 GLY A 101 -24.070 -4.688 1.717 1.00 63.32 H new ATOM 1536 N GLY A 102 -21.302 -5.278 1.072 1.00 35.30 N ATOM 1537 CA GLY A 102 -19.968 -4.857 0.689 1.00 42.33 C ATOM 1538 C GLY A 102 -19.426 -3.759 1.584 1.00 11.11 C ATOM 1539 O GLY A 102 -18.242 -3.749 1.919 1.00 65.03 O ATOM 0 H GLY A 102 -21.337 -5.930 1.855 1.00 35.30 H new ATOM 0 HA2 GLY A 102 -19.296 -5.714 0.724 1.00 42.33 H new ATOM 0 HA3 GLY A 102 -19.984 -4.506 -0.343 1.00 42.33 H new ATOM 1543 N GLY A 103 -20.296 -2.831 1.971 1.00 42.51 N ATOM 1544 CA GLY A 103 -19.880 -1.735 2.827 1.00 70.24 C ATOM 1545 C GLY A 103 -20.842 -1.496 3.972 1.00 14.31 C ATOM 1546 O GLY A 103 -21.617 -2.382 4.337 1.00 75.45 O ATOM 0 H GLY A 103 -21.281 -2.819 1.707 1.00 42.51 H new ATOM 0 HA2 GLY A 103 -18.889 -1.947 3.228 1.00 70.24 H new ATOM 0 HA3 GLY A 103 -19.795 -0.826 2.232 1.00 70.24 H new ATOM 1550 N ILE A 104 -20.796 -0.296 4.541 1.00 10.42 N ATOM 1551 CA ILE A 104 -21.672 0.056 5.653 1.00 73.30 C ATOM 1552 C ILE A 104 -22.339 1.407 5.420 1.00 61.32 C ATOM 1553 O ILE A 104 -21.778 2.282 4.758 1.00 74.25 O ATOM 1554 CB ILE A 104 -20.900 0.099 6.985 1.00 31.42 C ATOM 1555 CG1 ILE A 104 -20.132 -1.207 7.197 1.00 73.31 C ATOM 1556 CG2 ILE A 104 -21.855 0.353 8.142 1.00 75.13 C ATOM 1557 CD1 ILE A 104 -19.199 -1.171 8.388 1.00 42.35 C ATOM 0 H ILE A 104 -20.162 0.449 4.251 1.00 10.42 H new ATOM 0 HA ILE A 104 -22.437 -0.719 5.711 1.00 73.30 H new ATOM 0 HB ILE A 104 -20.182 0.918 6.946 1.00 31.42 H new ATOM 0 HG12 ILE A 104 -20.845 -2.021 7.328 1.00 73.31 H new ATOM 0 HG13 ILE A 104 -19.555 -1.430 6.300 1.00 73.31 H new ATOM 0 HG21 ILE A 104 -21.295 0.381 9.077 1.00 75.13 H new ATOM 0 HG22 ILE A 104 -22.361 1.307 7.994 1.00 75.13 H new ATOM 0 HG23 ILE A 104 -22.594 -0.447 8.186 1.00 75.13 H new ATOM 0 HD11 ILE A 104 -18.687 -2.129 8.479 1.00 42.35 H new ATOM 0 HD12 ILE A 104 -18.463 -0.379 8.250 1.00 42.35 H new ATOM 0 HD13 ILE A 104 -19.773 -0.979 9.294 1.00 42.35 H new ATOM 1569 N ILE A 105 -23.538 1.571 5.969 1.00 72.41 N ATOM 1570 CA ILE A 105 -24.279 2.818 5.824 1.00 11.13 C ATOM 1571 C ILE A 105 -23.548 3.975 6.496 1.00 43.31 C ATOM 1572 O ILE A 105 -23.635 4.157 7.710 1.00 71.54 O ATOM 1573 CB ILE A 105 -25.695 2.703 6.421 1.00 21.24 C ATOM 1574 CG1 ILE A 105 -26.424 1.493 5.832 1.00 33.43 C ATOM 1575 CG2 ILE A 105 -26.482 3.979 6.166 1.00 13.51 C ATOM 1576 CD1 ILE A 105 -26.749 1.641 4.363 1.00 11.11 C ATOM 0 H ILE A 105 -24.017 0.857 6.518 1.00 72.41 H new ATOM 0 HA ILE A 105 -24.358 3.015 4.755 1.00 11.13 H new ATOM 0 HB ILE A 105 -25.609 2.562 7.498 1.00 21.24 H new ATOM 0 HG12 ILE A 105 -25.808 0.604 5.972 1.00 33.43 H new ATOM 0 HG13 ILE A 105 -27.349 1.331 6.386 1.00 33.43 H new ATOM 0 HG21 ILE A 105 -27.480 3.883 6.594 1.00 13.51 H new ATOM 0 HG22 ILE A 105 -25.969 4.822 6.629 1.00 13.51 H new ATOM 0 HG23 ILE A 105 -26.562 4.149 5.092 1.00 13.51 H new ATOM 0 HD11 ILE A 105 -27.265 0.747 4.013 1.00 11.11 H new ATOM 0 HD12 ILE A 105 -27.390 2.510 4.218 1.00 11.11 H new ATOM 0 HD13 ILE A 105 -25.826 1.773 3.798 1.00 11.11 H new ATOM 1588 N HIS A 106 -22.828 4.756 5.697 1.00 44.11 N ATOM 1589 CA HIS A 106 -22.083 5.898 6.213 1.00 34.34 C ATOM 1590 C HIS A 106 -22.783 7.207 5.864 1.00 52.02 C ATOM 1591 O HIS A 106 -22.635 8.209 6.564 1.00 2.51 O ATOM 1592 CB HIS A 106 -20.660 5.902 5.654 1.00 22.33 C ATOM 1593 CG HIS A 106 -19.704 6.734 6.452 1.00 1.11 C ATOM 1594 ND1 HIS A 106 -19.566 6.616 7.819 1.00 2.12 N ATOM 1595 CD2 HIS A 106 -18.833 7.696 6.069 1.00 44.21 C ATOM 1596 CE1 HIS A 106 -18.654 7.474 8.242 1.00 70.15 C ATOM 1597 NE2 HIS A 106 -18.193 8.141 7.199 1.00 4.01 N ATOM 0 H HIS A 106 -22.745 4.619 4.690 1.00 44.11 H new ATOM 0 HA HIS A 106 -22.038 5.809 7.298 1.00 34.34 H new ATOM 0 HB2 HIS A 106 -20.291 4.877 5.615 1.00 22.33 H new ATOM 0 HB3 HIS A 106 -20.682 6.272 4.629 1.00 22.33 H new ATOM 0 HD2 HIS A 106 -18.671 8.048 5.061 1.00 44.21 H new ATOM 0 HE1 HIS A 106 -18.339 7.607 9.266 1.00 70.15 H new ATOM 0 HE2 HIS A 106 -17.478 8.868 7.229 1.00 4.01 H new ATOM 1605 N ASP A 107 -23.546 7.192 4.776 1.00 2.53 N ATOM 1606 CA ASP A 107 -24.270 8.378 4.333 1.00 2.33 C ATOM 1607 C ASP A 107 -25.644 8.003 3.787 1.00 53.53 C ATOM 1608 O ASP A 107 -25.831 6.916 3.239 1.00 42.21 O ATOM 1609 CB ASP A 107 -23.467 9.122 3.264 1.00 13.01 C ATOM 1610 CG ASP A 107 -22.463 10.087 3.862 1.00 51.05 C ATOM 1611 OD1 ASP A 107 -22.891 11.102 4.450 1.00 40.31 O ATOM 1612 OD2 ASP A 107 -21.247 9.827 3.742 1.00 71.12 O1- ATOM 0 H ASP A 107 -23.679 6.372 4.185 1.00 2.53 H new ATOM 0 HA ASP A 107 -24.408 9.033 5.194 1.00 2.33 H new ATOM 0 HB2 ASP A 107 -22.944 8.399 2.638 1.00 13.01 H new ATOM 0 HB3 ASP A 107 -24.151 9.669 2.615 1.00 13.01 H new ATOM 1617 N VAL A 108 -26.604 8.910 3.941 1.00 40.23 N ATOM 1618 CA VAL A 108 -27.961 8.675 3.463 1.00 11.03 C ATOM 1619 C VAL A 108 -28.644 9.984 3.080 1.00 62.13 C ATOM 1620 O VAL A 108 -28.829 10.868 3.916 1.00 23.34 O ATOM 1621 CB VAL A 108 -28.814 7.957 4.526 1.00 20.20 C ATOM 1622 CG1 VAL A 108 -30.236 7.758 4.025 1.00 12.41 C ATOM 1623 CG2 VAL A 108 -28.182 6.625 4.904 1.00 33.40 C ATOM 0 H VAL A 108 -26.467 9.814 4.393 1.00 40.23 H new ATOM 0 HA VAL A 108 -27.880 8.039 2.582 1.00 11.03 H new ATOM 0 HB VAL A 108 -28.853 8.582 5.418 1.00 20.20 H new ATOM 0 HG11 VAL A 108 -30.823 7.249 4.789 1.00 12.41 H new ATOM 0 HG12 VAL A 108 -30.684 8.728 3.808 1.00 12.41 H new ATOM 0 HG13 VAL A 108 -30.221 7.154 3.118 1.00 12.41 H new ATOM 0 HG21 VAL A 108 -28.797 6.131 5.656 1.00 33.40 H new ATOM 0 HG22 VAL A 108 -28.111 5.992 4.020 1.00 33.40 H new ATOM 0 HG23 VAL A 108 -27.184 6.797 5.308 1.00 33.40 H new ATOM 1633 N LYS A 109 -29.015 10.101 1.810 1.00 73.05 N ATOM 1634 CA LYS A 109 -29.679 11.301 1.314 1.00 64.22 C ATOM 1635 C LYS A 109 -31.179 11.069 1.163 1.00 55.52 C ATOM 1636 O LYS A 109 -31.609 10.040 0.641 1.00 53.24 O ATOM 1637 CB LYS A 109 -29.079 11.721 -0.030 1.00 5.12 C ATOM 1638 CG LYS A 109 -27.914 12.686 0.101 1.00 4.01 C ATOM 1639 CD LYS A 109 -28.386 14.131 0.119 1.00 43.23 C ATOM 1640 CE LYS A 109 -28.753 14.581 1.524 1.00 25.43 C ATOM 1641 NZ LYS A 109 -28.682 16.062 1.669 1.00 11.23 N1+ ATOM 0 H LYS A 109 -28.867 9.379 1.105 1.00 73.05 H new ATOM 0 HA LYS A 109 -29.524 12.099 2.040 1.00 64.22 H new ATOM 0 HB2 LYS A 109 -28.745 10.831 -0.564 1.00 5.12 H new ATOM 0 HB3 LYS A 109 -29.857 12.184 -0.637 1.00 5.12 H new ATOM 0 HG2 LYS A 109 -27.363 12.471 1.017 1.00 4.01 H new ATOM 0 HG3 LYS A 109 -27.223 12.538 -0.729 1.00 4.01 H new ATOM 0 HD2 LYS A 109 -27.602 14.776 -0.277 1.00 43.23 H new ATOM 0 HD3 LYS A 109 -29.250 14.241 -0.536 1.00 43.23 H new ATOM 0 HE2 LYS A 109 -29.761 14.241 1.763 1.00 25.43 H new ATOM 0 HE3 LYS A 109 -28.080 14.113 2.243 1.00 25.43 H new ATOM 0 HZ1 LYS A 109 -28.939 16.328 2.641 1.00 11.23 H new ATOM 0 HZ2 LYS A 109 -27.714 16.385 1.466 1.00 11.23 H new ATOM 0 HZ3 LYS A 109 -29.343 16.508 1.001 1.00 11.23 H new ATOM 1655 N VAL A 110 -31.971 12.032 1.621 1.00 33.40 N ATOM 1656 CA VAL A 110 -33.423 11.935 1.534 1.00 62.24 C ATOM 1657 C VAL A 110 -34.044 13.279 1.171 1.00 62.33 C ATOM 1658 O VAL A 110 -33.872 14.267 1.885 1.00 72.31 O ATOM 1659 CB VAL A 110 -34.033 11.442 2.859 1.00 4.52 C ATOM 1660 CG1 VAL A 110 -33.591 12.329 4.014 1.00 44.34 C ATOM 1661 CG2 VAL A 110 -35.551 11.396 2.763 1.00 54.34 C ATOM 0 H VAL A 110 -31.631 12.889 2.057 1.00 33.40 H new ATOM 0 HA VAL A 110 -33.645 11.212 0.749 1.00 62.24 H new ATOM 0 HB VAL A 110 -33.673 10.431 3.050 1.00 4.52 H new ATOM 0 HG11 VAL A 110 -34.032 11.965 4.942 1.00 44.34 H new ATOM 0 HG12 VAL A 110 -32.504 12.306 4.095 1.00 44.34 H new ATOM 0 HG13 VAL A 110 -33.920 13.352 3.833 1.00 44.34 H new ATOM 0 HG21 VAL A 110 -35.965 11.045 3.708 1.00 54.34 H new ATOM 0 HG22 VAL A 110 -35.932 12.394 2.548 1.00 54.34 H new ATOM 0 HG23 VAL A 110 -35.845 10.715 1.964 1.00 54.34 H new ATOM 1671 N PHE A 111 -34.768 13.309 0.056 1.00 31.14 N ATOM 1672 CA PHE A 111 -35.415 14.533 -0.403 1.00 61.30 C ATOM 1673 C PHE A 111 -36.926 14.453 -0.213 1.00 14.04 C ATOM 1674 O PHE A 111 -37.525 13.389 -0.360 1.00 54.20 O ATOM 1675 CB PHE A 111 -35.086 14.786 -1.875 1.00 25.34 C ATOM 1676 CG PHE A 111 -33.634 14.601 -2.206 1.00 21.54 C ATOM 1677 CD1 PHE A 111 -32.657 15.298 -1.514 1.00 61.01 C ATOM 1678 CD2 PHE A 111 -33.243 13.728 -3.210 1.00 34.24 C ATOM 1679 CE1 PHE A 111 -31.319 15.129 -1.817 1.00 62.23 C ATOM 1680 CE2 PHE A 111 -31.907 13.555 -3.518 1.00 44.30 C ATOM 1681 CZ PHE A 111 -30.944 14.256 -2.820 1.00 45.00 C ATOM 0 H PHE A 111 -34.921 12.500 -0.546 1.00 31.14 H new ATOM 0 HA PHE A 111 -35.036 15.362 0.194 1.00 61.30 H new ATOM 0 HB2 PHE A 111 -35.680 14.112 -2.492 1.00 25.34 H new ATOM 0 HB3 PHE A 111 -35.383 15.802 -2.136 1.00 25.34 H new ATOM 0 HD1 PHE A 111 -32.944 15.981 -0.729 1.00 61.01 H new ATOM 0 HD2 PHE A 111 -33.992 13.176 -3.758 1.00 34.24 H new ATOM 0 HE1 PHE A 111 -30.567 15.679 -1.270 1.00 62.23 H new ATOM 0 HE2 PHE A 111 -31.617 12.873 -4.303 1.00 44.30 H new ATOM 0 HZ PHE A 111 -29.899 14.122 -3.058 1.00 45.00 H new ATOM 1691 N ASN A 112 -37.536 15.587 0.115 1.00 50.25 N ATOM 1692 CA ASN A 112 -38.978 15.647 0.326 1.00 72.43 C ATOM 1693 C ASN A 112 -39.590 16.823 -0.429 1.00 13.34 C ATOM 1694 O ASN A 112 -39.029 17.917 -0.454 1.00 60.11 O ATOM 1695 CB ASN A 112 -39.291 15.766 1.819 1.00 64.11 C ATOM 1696 CG ASN A 112 -40.718 15.368 2.144 1.00 42.02 C ATOM 1697 OD1 ASN A 112 -41.395 14.728 1.338 1.00 74.51 O ATOM 1698 ND2 ASN A 112 -41.181 15.746 3.330 1.00 45.40 N ATOM 0 H ASN A 112 -37.054 16.477 0.241 1.00 50.25 H new ATOM 0 HA ASN A 112 -39.415 14.725 -0.058 1.00 72.43 H new ATOM 0 HB2 ASN A 112 -38.603 15.136 2.383 1.00 64.11 H new ATOM 0 HB3 ASN A 112 -39.120 16.793 2.143 1.00 64.11 H new ATOM 0 HD21 ASN A 112 -42.134 15.507 3.605 1.00 45.40 H new ATOM 0 HD22 ASN A 112 -40.584 16.275 3.966 1.00 45.40 H new ATOM 1705 N ARG A 113 -40.746 16.587 -1.043 1.00 20.34 N ATOM 1706 CA ARG A 113 -41.435 17.626 -1.799 1.00 53.42 C ATOM 1707 C ARG A 113 -41.703 18.847 -0.924 1.00 54.43 C ATOM 1708 O ARG A 113 -41.789 19.970 -1.420 1.00 33.44 O ATOM 1709 CB ARG A 113 -42.751 17.089 -2.361 1.00 52.52 C ATOM 1710 CG ARG A 113 -43.560 18.129 -3.119 1.00 1.01 C ATOM 1711 CD ARG A 113 -44.898 17.571 -3.577 1.00 10.22 C ATOM 1712 NE ARG A 113 -45.912 18.614 -3.707 1.00 43.12 N ATOM 1713 CZ ARG A 113 -45.936 19.496 -4.699 1.00 21.52 C ATOM 1714 NH1 ARG A 113 -45.006 19.462 -5.644 1.00 31.21 N1+ ATOM 1715 NH2 ARG A 113 -46.891 20.416 -4.748 1.00 54.41 N ATOM 0 H ARG A 113 -41.224 15.686 -1.031 1.00 20.34 H new ATOM 0 HA ARG A 113 -40.791 17.927 -2.626 1.00 53.42 H new ATOM 0 HB2 ARG A 113 -42.538 16.252 -3.026 1.00 52.52 H new ATOM 0 HB3 ARG A 113 -43.354 16.699 -1.541 1.00 52.52 H new ATOM 0 HG2 ARG A 113 -43.726 18.997 -2.481 1.00 1.01 H new ATOM 0 HG3 ARG A 113 -42.993 18.473 -3.984 1.00 1.01 H new ATOM 0 HD2 ARG A 113 -44.771 17.067 -4.535 1.00 10.22 H new ATOM 0 HD3 ARG A 113 -45.240 16.820 -2.865 1.00 10.22 H new ATOM 0 HE ARG A 113 -46.642 18.668 -2.997 1.00 43.12 H new ATOM 0 HH11 ARG A 113 -44.270 18.757 -5.610 1.00 31.21 H new ATOM 0 HH12 ARG A 113 -45.027 20.141 -6.405 1.00 31.21 H new ATOM 0 HH21 ARG A 113 -47.608 20.446 -4.023 1.00 54.41 H new ATOM 0 HH22 ARG A 113 -46.908 21.093 -5.511 1.00 54.41 H new ATOM 1729 N GLU A 114 -41.835 18.618 0.379 1.00 1.14 N ATOM 1730 CA GLU A 114 -42.096 19.700 1.322 1.00 4.11 C ATOM 1731 C GLU A 114 -40.893 20.633 1.425 1.00 41.23 C ATOM 1732 O GLU A 114 -41.030 21.805 1.775 1.00 33.03 O ATOM 1733 CB GLU A 114 -42.437 19.134 2.701 1.00 54.33 C ATOM 1734 CG GLU A 114 -43.831 18.537 2.786 1.00 44.41 C ATOM 1735 CD GLU A 114 -44.911 19.593 2.918 1.00 52.21 C ATOM 1736 OE1 GLU A 114 -44.814 20.430 3.840 1.00 71.42 O ATOM 1737 OE2 GLU A 114 -45.853 19.583 2.098 1.00 73.01 O1- ATOM 0 H GLU A 114 -41.766 17.694 0.805 1.00 1.14 H new ATOM 0 HA GLU A 114 -42.947 20.272 0.953 1.00 4.11 H new ATOM 0 HB2 GLU A 114 -41.706 18.368 2.961 1.00 54.33 H new ATOM 0 HB3 GLU A 114 -42.345 19.927 3.443 1.00 54.33 H new ATOM 0 HG2 GLU A 114 -44.021 17.938 1.895 1.00 44.41 H new ATOM 0 HG3 GLU A 114 -43.882 17.862 3.640 1.00 44.41 H new ATOM 1744 N ASP A 115 -39.713 20.103 1.120 1.00 61.31 N ATOM 1745 CA ASP A 115 -38.485 20.886 1.178 1.00 32.24 C ATOM 1746 C ASP A 115 -38.407 21.863 0.009 1.00 43.43 C ATOM 1747 O ASP A 115 -37.702 22.869 0.073 1.00 43.12 O ATOM 1748 CB ASP A 115 -37.265 19.964 1.170 1.00 53.53 C ATOM 1749 CG ASP A 115 -36.076 20.569 1.890 1.00 13.43 C ATOM 1750 OD1 ASP A 115 -36.017 20.462 3.133 1.00 74.43 O ATOM 1751 OD2 ASP A 115 -35.204 21.150 1.210 1.00 32.32 O1- ATOM 0 H ASP A 115 -39.582 19.134 0.830 1.00 61.31 H new ATOM 0 HA ASP A 115 -38.492 21.458 2.106 1.00 32.24 H new ATOM 0 HB2 ASP A 115 -37.527 19.016 1.640 1.00 53.53 H new ATOM 0 HB3 ASP A 115 -36.988 19.743 0.139 1.00 53.53 H new ATOM 1756 N GLY A 116 -39.136 21.558 -1.061 1.00 54.51 N ATOM 1757 CA GLY A 116 -39.134 22.417 -2.230 1.00 23.20 C ATOM 1758 C GLY A 116 -38.387 21.805 -3.398 1.00 2.22 C ATOM 1759 O GLY A 116 -37.939 22.515 -4.299 1.00 55.14 O ATOM 0 H GLY A 116 -39.728 20.731 -1.138 1.00 54.51 H new ATOM 0 HA2 GLY A 116 -40.162 22.622 -2.528 1.00 23.20 H new ATOM 0 HA3 GLY A 116 -38.679 23.374 -1.973 1.00 23.20 H new ATOM 1763 N ASP A 117 -38.249 20.483 -3.383 1.00 71.14 N ATOM 1764 CA ASP A 117 -37.550 19.776 -4.450 1.00 22.33 C ATOM 1765 C ASP A 117 -38.535 19.247 -5.488 1.00 23.13 C ATOM 1766 O ASP A 117 -39.560 18.662 -5.141 1.00 55.15 O ATOM 1767 CB ASP A 117 -36.730 18.622 -3.872 1.00 15.40 C ATOM 1768 CG ASP A 117 -37.555 17.365 -3.679 1.00 11.35 C ATOM 1769 OD1 ASP A 117 -38.578 17.431 -2.966 1.00 73.13 O ATOM 1770 OD2 ASP A 117 -37.176 16.314 -4.240 1.00 42.23 O1- ATOM 0 H ASP A 117 -38.612 19.880 -2.644 1.00 71.14 H new ATOM 0 HA ASP A 117 -36.878 20.480 -4.940 1.00 22.33 H new ATOM 0 HB2 ASP A 117 -35.894 18.406 -4.537 1.00 15.40 H new ATOM 0 HB3 ASP A 117 -36.306 18.925 -2.915 1.00 15.40 H new ATOM 1775 N GLU A 118 -38.217 19.458 -6.761 1.00 12.24 N ATOM 1776 CA GLU A 118 -39.075 19.003 -7.848 1.00 23.12 C ATOM 1777 C GLU A 118 -38.844 17.524 -8.142 1.00 62.43 C ATOM 1778 O GLU A 118 -37.703 17.061 -8.195 1.00 43.24 O ATOM 1779 CB GLU A 118 -38.820 19.831 -9.110 1.00 34.24 C ATOM 1780 CG GLU A 118 -39.928 19.724 -10.143 1.00 62.21 C ATOM 1781 CD GLU A 118 -39.844 20.804 -11.204 1.00 42.54 C ATOM 1782 OE1 GLU A 118 -40.277 21.942 -10.926 1.00 52.30 O ATOM 1783 OE2 GLU A 118 -39.346 20.512 -12.311 1.00 0.43 O1- ATOM 0 H GLU A 118 -37.372 19.941 -7.065 1.00 12.24 H new ATOM 0 HA GLU A 118 -40.111 19.136 -7.538 1.00 23.12 H new ATOM 0 HB2 GLU A 118 -38.697 20.877 -8.829 1.00 34.24 H new ATOM 0 HB3 GLU A 118 -37.882 19.509 -9.562 1.00 34.24 H new ATOM 0 HG2 GLU A 118 -39.880 18.746 -10.621 1.00 62.21 H new ATOM 0 HG3 GLU A 118 -40.894 19.787 -9.642 1.00 62.21 H new ATOM 1790 N LEU A 119 -39.933 16.788 -8.333 1.00 53.45 N ATOM 1791 CA LEU A 119 -39.850 15.360 -8.621 1.00 44.14 C ATOM 1792 C LEU A 119 -40.632 15.013 -9.883 1.00 13.41 C ATOM 1793 O LEU A 119 -41.537 15.736 -10.301 1.00 3.34 O ATOM 1794 CB LEU A 119 -40.383 14.549 -7.438 1.00 54.15 C ATOM 1795 CG LEU A 119 -39.430 14.382 -6.255 1.00 4.14 C ATOM 1796 CD1 LEU A 119 -40.208 14.116 -4.976 1.00 75.22 C ATOM 1797 CD2 LEU A 119 -38.439 13.257 -6.523 1.00 64.10 C ATOM 0 H LEU A 119 -40.884 17.156 -8.294 1.00 53.45 H new ATOM 0 HA LEU A 119 -38.802 15.108 -8.784 1.00 44.14 H new ATOM 0 HB2 LEU A 119 -41.296 15.025 -7.079 1.00 54.15 H new ATOM 0 HB3 LEU A 119 -40.660 13.558 -7.798 1.00 54.15 H new ATOM 0 HG LEU A 119 -38.871 15.309 -6.129 1.00 4.14 H new ATOM 0 HD11 LEU A 119 -39.513 14.000 -4.145 1.00 75.22 H new ATOM 0 HD12 LEU A 119 -40.876 14.953 -4.776 1.00 75.22 H new ATOM 0 HD13 LEU A 119 -40.794 13.204 -5.089 1.00 75.22 H new ATOM 0 HD21 LEU A 119 -37.768 13.152 -5.670 1.00 64.10 H new ATOM 0 HD22 LEU A 119 -38.981 12.324 -6.675 1.00 64.10 H new ATOM 0 HD23 LEU A 119 -37.858 13.489 -7.415 1.00 64.10 H new ATOM 1809 N PRO A 120 -40.278 13.879 -10.506 1.00 20.10 N ATOM 1810 CA PRO A 120 -40.936 13.410 -11.729 1.00 0.40 C ATOM 1811 C PRO A 120 -42.363 12.938 -11.475 1.00 11.03 C ATOM 1812 O PRO A 120 -42.790 12.758 -10.334 1.00 42.43 O ATOM 1813 CB PRO A 120 -40.058 12.238 -12.177 1.00 45.01 C ATOM 1814 CG PRO A 120 -39.409 11.752 -10.927 1.00 75.10 C ATOM 1815 CD PRO A 120 -39.208 12.968 -10.066 1.00 64.30 C ATOM 0 HA PRO A 120 -41.026 14.202 -12.472 1.00 0.40 H new ATOM 0 HB2 PRO A 120 -40.653 11.454 -12.645 1.00 45.01 H new ATOM 0 HB3 PRO A 120 -39.317 12.556 -12.910 1.00 45.01 H new ATOM 0 HG2 PRO A 120 -40.035 11.016 -10.423 1.00 75.10 H new ATOM 0 HG3 PRO A 120 -38.458 11.266 -11.144 1.00 75.10 H new ATOM 0 HD2 PRO A 120 -39.295 12.729 -9.006 1.00 64.30 H new ATOM 0 HD3 PRO A 120 -38.221 13.406 -10.214 1.00 64.30 H new ATOM 1823 N PRO A 121 -43.123 12.734 -12.562 1.00 13.45 N ATOM 1824 CA PRO A 121 -44.514 12.281 -12.481 1.00 63.41 C ATOM 1825 C PRO A 121 -44.627 10.835 -12.011 1.00 74.12 C ATOM 1826 O PRO A 121 -44.079 9.924 -12.631 1.00 70.11 O ATOM 1827 CB PRO A 121 -45.015 12.414 -13.922 1.00 51.31 C ATOM 1828 CG PRO A 121 -43.788 12.309 -14.760 1.00 10.41 C ATOM 1829 CD PRO A 121 -42.681 12.928 -13.952 1.00 53.13 C ATOM 0 HA PRO A 121 -45.089 12.861 -11.759 1.00 63.41 H new ATOM 0 HB2 PRO A 121 -45.730 11.629 -14.167 1.00 51.31 H new ATOM 0 HB3 PRO A 121 -45.521 13.366 -14.079 1.00 51.31 H new ATOM 0 HG2 PRO A 121 -43.564 11.269 -14.996 1.00 10.41 H new ATOM 0 HG3 PRO A 121 -43.917 12.830 -15.709 1.00 10.41 H new ATOM 0 HD2 PRO A 121 -41.725 12.440 -14.141 1.00 53.13 H new ATOM 0 HD3 PRO A 121 -42.553 13.984 -14.189 1.00 53.13 H new ATOM 1837 N GLY A 122 -45.341 10.630 -10.908 1.00 43.21 N ATOM 1838 CA GLY A 122 -45.512 9.291 -10.372 1.00 45.50 C ATOM 1839 C GLY A 122 -44.754 9.084 -9.077 1.00 61.31 C ATOM 1840 O GLY A 122 -45.054 8.167 -8.312 1.00 64.21 O ATOM 0 H GLY A 122 -45.804 11.367 -10.376 1.00 43.21 H new ATOM 0 HA2 GLY A 122 -46.572 9.103 -10.203 1.00 45.50 H new ATOM 0 HA3 GLY A 122 -45.173 8.562 -11.108 1.00 45.50 H new ATOM 1844 N VAL A 123 -43.765 9.938 -8.827 1.00 20.12 N ATOM 1845 CA VAL A 123 -42.960 9.844 -7.616 1.00 30.11 C ATOM 1846 C VAL A 123 -43.446 10.826 -6.555 1.00 42.43 C ATOM 1847 O VAL A 123 -43.879 11.933 -6.873 1.00 35.02 O ATOM 1848 CB VAL A 123 -41.473 10.115 -7.908 1.00 72.33 C ATOM 1849 CG1 VAL A 123 -40.658 10.061 -6.624 1.00 14.23 C ATOM 1850 CG2 VAL A 123 -40.940 9.120 -8.928 1.00 34.10 C ATOM 0 H VAL A 123 -43.503 10.703 -9.449 1.00 20.12 H new ATOM 0 HA VAL A 123 -43.069 8.826 -7.242 1.00 30.11 H new ATOM 0 HB VAL A 123 -41.380 11.117 -8.328 1.00 72.33 H new ATOM 0 HG11 VAL A 123 -39.609 10.255 -6.850 1.00 14.23 H new ATOM 0 HG12 VAL A 123 -41.025 10.816 -5.928 1.00 14.23 H new ATOM 0 HG13 VAL A 123 -40.755 9.074 -6.173 1.00 14.23 H new ATOM 0 HG21 VAL A 123 -39.888 9.327 -9.122 1.00 34.10 H new ATOM 0 HG22 VAL A 123 -41.045 8.108 -8.538 1.00 34.10 H new ATOM 0 HG23 VAL A 123 -41.505 9.212 -9.856 1.00 34.10 H new ATOM 1860 N ASN A 124 -43.371 10.412 -5.295 1.00 33.12 N ATOM 1861 CA ASN A 124 -43.803 11.256 -4.187 1.00 53.53 C ATOM 1862 C ASN A 124 -42.619 11.652 -3.310 1.00 53.12 C ATOM 1863 O ASN A 124 -42.627 12.709 -2.680 1.00 73.13 O ATOM 1864 CB ASN A 124 -44.854 10.529 -3.345 1.00 43.21 C ATOM 1865 CG ASN A 124 -45.974 9.954 -4.190 1.00 42.43 C ATOM 1866 OD1 ASN A 124 -46.144 10.324 -5.353 1.00 73.31 O ATOM 1867 ND2 ASN A 124 -46.746 9.042 -3.608 1.00 3.04 N ATOM 0 H ASN A 124 -43.015 9.498 -5.015 1.00 33.12 H new ATOM 0 HA ASN A 124 -44.243 12.162 -4.604 1.00 53.53 H new ATOM 0 HB2 ASN A 124 -44.375 9.725 -2.786 1.00 43.21 H new ATOM 0 HB3 ASN A 124 -45.272 11.221 -2.614 1.00 43.21 H new ATOM 0 HD21 ASN A 124 -47.515 8.619 -4.127 1.00 3.04 H new ATOM 0 HD22 ASN A 124 -46.569 8.765 -2.642 1.00 3.04 H new ATOM 1874 N GLN A 125 -41.603 10.796 -3.276 1.00 42.31 N ATOM 1875 CA GLN A 125 -40.411 11.056 -2.477 1.00 61.22 C ATOM 1876 C GLN A 125 -39.182 10.408 -3.105 1.00 32.52 C ATOM 1877 O GLN A 125 -39.297 9.479 -3.905 1.00 3.53 O ATOM 1878 CB GLN A 125 -40.604 10.537 -1.051 1.00 74.32 C ATOM 1879 CG GLN A 125 -41.645 11.309 -0.257 1.00 12.52 C ATOM 1880 CD GLN A 125 -43.052 10.787 -0.475 1.00 12.21 C ATOM 1881 OE1 GLN A 125 -43.970 11.548 -0.781 1.00 35.21 O ATOM 1882 NE2 GLN A 125 -43.228 9.480 -0.320 1.00 13.11 N ATOM 0 H GLN A 125 -41.581 9.917 -3.792 1.00 42.31 H new ATOM 0 HA GLN A 125 -40.254 12.134 -2.445 1.00 61.22 H new ATOM 0 HB2 GLN A 125 -40.895 9.487 -1.092 1.00 74.32 H new ATOM 0 HB3 GLN A 125 -39.651 10.583 -0.525 1.00 74.32 H new ATOM 0 HG2 GLN A 125 -41.402 11.254 0.804 1.00 12.52 H new ATOM 0 HG3 GLN A 125 -41.604 12.361 -0.539 1.00 12.52 H new ATOM 0 HE21 GLN A 125 -42.439 8.886 -0.066 1.00 13.11 H new ATOM 0 HE22 GLN A 125 -44.152 9.070 -0.455 1.00 13.11 H new ATOM 1891 N LEU A 126 -38.005 10.905 -2.739 1.00 13.13 N ATOM 1892 CA LEU A 126 -36.753 10.375 -3.266 1.00 42.24 C ATOM 1893 C LEU A 126 -35.734 10.170 -2.150 1.00 22.01 C ATOM 1894 O LEU A 126 -35.526 11.051 -1.316 1.00 4.43 O ATOM 1895 CB LEU A 126 -36.183 11.319 -4.326 1.00 14.10 C ATOM 1896 CG LEU A 126 -35.165 10.709 -5.291 1.00 62.41 C ATOM 1897 CD1 LEU A 126 -33.870 10.381 -4.563 1.00 34.22 C ATOM 1898 CD2 LEU A 126 -35.737 9.465 -5.953 1.00 54.24 C ATOM 0 H LEU A 126 -37.892 11.675 -2.079 1.00 13.13 H new ATOM 0 HA LEU A 126 -36.961 9.408 -3.723 1.00 42.24 H new ATOM 0 HB2 LEU A 126 -37.012 11.720 -4.910 1.00 14.10 H new ATOM 0 HB3 LEU A 126 -35.713 12.161 -3.819 1.00 14.10 H new ATOM 0 HG LEU A 126 -34.945 11.441 -6.068 1.00 62.41 H new ATOM 0 HD11 LEU A 126 -33.158 9.948 -5.265 1.00 34.22 H new ATOM 0 HD12 LEU A 126 -33.451 11.293 -4.137 1.00 34.22 H new ATOM 0 HD13 LEU A 126 -34.072 9.667 -3.765 1.00 34.22 H new ATOM 0 HD21 LEU A 126 -34.999 9.044 -6.636 1.00 54.24 H new ATOM 0 HD22 LEU A 126 -35.986 8.728 -5.189 1.00 54.24 H new ATOM 0 HD23 LEU A 126 -36.637 9.730 -6.509 1.00 54.24 H new ATOM 1910 N VAL A 127 -35.101 9.002 -2.140 1.00 20.53 N ATOM 1911 CA VAL A 127 -34.101 8.682 -1.128 1.00 45.13 C ATOM 1912 C VAL A 127 -33.005 7.789 -1.700 1.00 1.10 C ATOM 1913 O VAL A 127 -33.287 6.792 -2.364 1.00 14.25 O ATOM 1914 CB VAL A 127 -34.737 7.982 0.087 1.00 20.41 C ATOM 1915 CG1 VAL A 127 -33.687 7.702 1.153 1.00 10.03 C ATOM 1916 CG2 VAL A 127 -35.872 8.821 0.653 1.00 54.52 C ATOM 0 H VAL A 127 -35.263 8.261 -2.822 1.00 20.53 H new ATOM 0 HA VAL A 127 -33.663 9.627 -0.806 1.00 45.13 H new ATOM 0 HB VAL A 127 -35.150 7.028 -0.242 1.00 20.41 H new ATOM 0 HG11 VAL A 127 -34.155 7.207 2.004 1.00 10.03 H new ATOM 0 HG12 VAL A 127 -32.912 7.057 0.740 1.00 10.03 H new ATOM 0 HG13 VAL A 127 -33.241 8.641 1.480 1.00 10.03 H new ATOM 0 HG21 VAL A 127 -36.309 8.310 1.511 1.00 54.52 H new ATOM 0 HG22 VAL A 127 -35.486 9.791 0.966 1.00 54.52 H new ATOM 0 HG23 VAL A 127 -36.635 8.964 -0.112 1.00 54.52 H new ATOM 1926 N ARG A 128 -31.756 8.155 -1.439 1.00 4.20 N ATOM 1927 CA ARG A 128 -30.616 7.389 -1.928 1.00 61.44 C ATOM 1928 C ARG A 128 -29.658 7.051 -0.790 1.00 20.05 C ATOM 1929 O ARG A 128 -29.307 7.912 0.016 1.00 44.24 O ATOM 1930 CB ARG A 128 -29.877 8.170 -3.016 1.00 53.24 C ATOM 1931 CG ARG A 128 -30.782 8.662 -4.134 1.00 2.30 C ATOM 1932 CD ARG A 128 -30.089 9.709 -4.992 1.00 44.25 C ATOM 1933 NE ARG A 128 -30.593 9.714 -6.363 1.00 42.20 N ATOM 1934 CZ ARG A 128 -30.020 10.387 -7.354 1.00 12.20 C ATOM 1935 NH1 ARG A 128 -28.928 11.105 -7.128 1.00 23.30 N1+ ATOM 1936 NH2 ARG A 128 -30.538 10.343 -8.575 1.00 64.11 N ATOM 0 H ARG A 128 -31.507 8.978 -0.891 1.00 4.20 H new ATOM 0 HA ARG A 128 -30.992 6.458 -2.351 1.00 61.44 H new ATOM 0 HB2 ARG A 128 -29.377 9.025 -2.561 1.00 53.24 H new ATOM 0 HB3 ARG A 128 -29.099 7.536 -3.442 1.00 53.24 H new ATOM 0 HG2 ARG A 128 -31.082 7.820 -4.758 1.00 2.30 H new ATOM 0 HG3 ARG A 128 -31.692 9.084 -3.708 1.00 2.30 H new ATOM 0 HD2 ARG A 128 -30.234 10.694 -4.549 1.00 44.25 H new ATOM 0 HD3 ARG A 128 -29.016 9.518 -5.001 1.00 44.25 H new ATOM 0 HE ARG A 128 -31.431 9.171 -6.571 1.00 42.20 H new ATOM 0 HH11 ARG A 128 -28.526 11.141 -6.191 1.00 23.30 H new ATOM 0 HH12 ARG A 128 -28.490 11.621 -7.891 1.00 23.30 H new ATOM 0 HH21 ARG A 128 -31.377 9.792 -8.753 1.00 64.11 H new ATOM 0 HH22 ARG A 128 -30.097 10.861 -9.335 1.00 64.11 H new ATOM 1950 N VAL A 129 -29.239 5.791 -0.730 1.00 61.44 N ATOM 1951 CA VAL A 129 -28.321 5.339 0.309 1.00 71.52 C ATOM 1952 C VAL A 129 -26.879 5.356 -0.186 1.00 13.23 C ATOM 1953 O VAL A 129 -26.622 5.239 -1.385 1.00 34.03 O ATOM 1954 CB VAL A 129 -28.672 3.918 0.788 1.00 44.32 C ATOM 1955 CG1 VAL A 129 -27.890 3.571 2.046 1.00 3.32 C ATOM 1956 CG2 VAL A 129 -30.169 3.792 1.030 1.00 62.34 C ATOM 0 H VAL A 129 -29.521 5.065 -1.389 1.00 61.44 H new ATOM 0 HA VAL A 129 -28.423 6.031 1.145 1.00 71.52 H new ATOM 0 HB VAL A 129 -28.392 3.210 0.007 1.00 44.32 H new ATOM 0 HG11 VAL A 129 -28.151 2.563 2.370 1.00 3.32 H new ATOM 0 HG12 VAL A 129 -26.822 3.619 1.835 1.00 3.32 H new ATOM 0 HG13 VAL A 129 -28.137 4.281 2.835 1.00 3.32 H new ATOM 0 HG21 VAL A 129 -30.399 2.782 1.368 1.00 62.34 H new ATOM 0 HG22 VAL A 129 -30.476 4.508 1.792 1.00 62.34 H new ATOM 0 HG23 VAL A 129 -30.706 3.996 0.103 1.00 62.34 H new ATOM 1966 N TYR A 130 -25.942 5.500 0.744 1.00 2.33 N ATOM 1967 CA TYR A 130 -24.525 5.534 0.402 1.00 2.11 C ATOM 1968 C TYR A 130 -23.743 4.513 1.224 1.00 50.21 C ATOM 1969 O TYR A 130 -23.615 4.647 2.441 1.00 35.14 O ATOM 1970 CB TYR A 130 -23.956 6.935 0.633 1.00 54.22 C ATOM 1971 CG TYR A 130 -24.427 7.954 -0.381 1.00 50.10 C ATOM 1972 CD1 TYR A 130 -25.772 8.284 -0.491 1.00 41.25 C ATOM 1973 CD2 TYR A 130 -23.526 8.586 -1.229 1.00 64.34 C ATOM 1974 CE1 TYR A 130 -26.206 9.213 -1.415 1.00 42.45 C ATOM 1975 CE2 TYR A 130 -23.951 9.518 -2.156 1.00 13.34 C ATOM 1976 CZ TYR A 130 -25.292 9.828 -2.246 1.00 23.14 C ATOM 1977 OH TYR A 130 -25.720 10.755 -3.168 1.00 43.15 O ATOM 0 H TYR A 130 -26.138 5.595 1.740 1.00 2.33 H new ATOM 0 HA TYR A 130 -24.425 5.279 -0.653 1.00 2.11 H new ATOM 0 HB2 TYR A 130 -24.236 7.272 1.631 1.00 54.22 H new ATOM 0 HB3 TYR A 130 -22.867 6.885 0.607 1.00 54.22 H new ATOM 0 HD1 TYR A 130 -26.491 7.805 0.158 1.00 41.25 H new ATOM 0 HD2 TYR A 130 -22.475 8.345 -1.162 1.00 64.34 H new ATOM 0 HE1 TYR A 130 -27.256 9.457 -1.487 1.00 42.45 H new ATOM 0 HE2 TYR A 130 -23.237 10.001 -2.807 1.00 13.34 H new ATOM 0 HH TYR A 130 -24.951 11.094 -3.672 1.00 43.15 H new ATOM 1987 N ILE A 131 -23.220 3.496 0.548 1.00 62.14 N ATOM 1988 CA ILE A 131 -22.448 2.454 1.214 1.00 14.52 C ATOM 1989 C ILE A 131 -21.004 2.441 0.723 1.00 32.22 C ATOM 1990 O ILE A 131 -20.743 2.255 -0.466 1.00 50.11 O ATOM 1991 CB ILE A 131 -23.068 1.062 0.987 1.00 53.44 C ATOM 1992 CG1 ILE A 131 -24.303 0.881 1.873 1.00 75.34 C ATOM 1993 CG2 ILE A 131 -22.043 -0.027 1.269 1.00 74.22 C ATOM 1994 CD1 ILE A 131 -25.609 1.077 1.135 1.00 41.20 C ATOM 0 H ILE A 131 -23.317 3.371 -0.460 1.00 62.14 H new ATOM 0 HA ILE A 131 -22.465 2.681 2.280 1.00 14.52 H new ATOM 0 HB ILE A 131 -23.376 0.982 -0.056 1.00 53.44 H new ATOM 0 HG12 ILE A 131 -24.286 -0.119 2.306 1.00 75.34 H new ATOM 0 HG13 ILE A 131 -24.253 1.588 2.701 1.00 75.34 H new ATOM 0 HG21 ILE A 131 -22.496 -1.005 1.104 1.00 74.22 H new ATOM 0 HG22 ILE A 131 -21.190 0.095 0.602 1.00 74.22 H new ATOM 0 HG23 ILE A 131 -21.708 0.048 2.304 1.00 74.22 H new ATOM 0 HD11 ILE A 131 -26.441 0.934 1.824 1.00 41.20 H new ATOM 0 HD12 ILE A 131 -25.647 2.086 0.725 1.00 41.20 H new ATOM 0 HD13 ILE A 131 -25.681 0.353 0.324 1.00 41.20 H new ATOM 2006 N VAL A 132 -20.069 2.636 1.647 1.00 41.23 N ATOM 2007 CA VAL A 132 -18.651 2.644 1.310 1.00 34.34 C ATOM 2008 C VAL A 132 -18.001 1.303 1.634 1.00 0.01 C ATOM 2009 O VAL A 132 -18.214 0.744 2.709 1.00 51.31 O ATOM 2010 CB VAL A 132 -17.902 3.760 2.060 1.00 61.21 C ATOM 2011 CG1 VAL A 132 -18.503 5.119 1.737 1.00 1.22 C ATOM 2012 CG2 VAL A 132 -17.924 3.501 3.559 1.00 73.24 C ATOM 0 H VAL A 132 -20.268 2.791 2.635 1.00 41.23 H new ATOM 0 HA VAL A 132 -18.582 2.828 0.238 1.00 34.34 H new ATOM 0 HB VAL A 132 -16.863 3.762 1.729 1.00 61.21 H new ATOM 0 HG11 VAL A 132 -17.960 5.895 2.277 1.00 1.22 H new ATOM 0 HG12 VAL A 132 -18.430 5.304 0.665 1.00 1.22 H new ATOM 0 HG13 VAL A 132 -19.551 5.134 2.037 1.00 1.22 H new ATOM 0 HG21 VAL A 132 -17.390 4.300 4.074 1.00 73.24 H new ATOM 0 HG22 VAL A 132 -18.956 3.471 3.908 1.00 73.24 H new ATOM 0 HG23 VAL A 132 -17.442 2.547 3.770 1.00 73.24 H new ATOM 2022 N GLN A 133 -17.209 0.794 0.697 1.00 42.41 N ATOM 2023 CA GLN A 133 -16.528 -0.483 0.884 1.00 12.41 C ATOM 2024 C GLN A 133 -15.269 -0.309 1.728 1.00 54.20 C ATOM 2025 O GLN A 133 -14.357 0.430 1.358 1.00 2.20 O ATOM 2026 CB GLN A 133 -16.168 -1.095 -0.471 1.00 71.20 C ATOM 2027 CG GLN A 133 -17.238 -2.023 -1.022 1.00 14.21 C ATOM 2028 CD GLN A 133 -18.418 -1.272 -1.606 1.00 65.31 C ATOM 2029 OE1 GLN A 133 -19.295 -0.780 -0.738 1.00 73.53 O flip ATOM 2030 NE2 GLN A 133 -18.541 -1.134 -2.823 1.00 12.32 N flip ATOM 0 H GLN A 133 -17.022 1.245 -0.199 1.00 42.41 H new ATOM 0 HA GLN A 133 -17.206 -1.155 1.410 1.00 12.41 H new ATOM 0 HB2 GLN A 133 -15.991 -0.293 -1.187 1.00 71.20 H new ATOM 0 HB3 GLN A 133 -15.234 -1.648 -0.374 1.00 71.20 H new ATOM 0 HG2 GLN A 133 -16.801 -2.659 -1.791 1.00 14.21 H new ATOM 0 HG3 GLN A 133 -17.588 -2.680 -0.226 1.00 14.21 H new ATOM 0 HE21 GLN A 133 -17.843 -1.528 -3.454 1.00 12.32 H new ATOM 0 HE22 GLN A 133 -19.340 -0.625 -3.200 1.00 12.32 H new