USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET CE :methyl 145:sc= -0.183 (180deg=-1.85!) USER MOD Set 1.2: A 42 GLN : amide:sc= -0.0171 K(o=-0.2,f=-1.2) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0479 (180deg=-0.351) USER MOD Single : A 5 LYS NZ :NH3+ -145:sc= 0.387 (180deg=0.275) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= -0.0471 (180deg=-0.253) USER MOD Single : A 24 GLN : amide:sc= -0.0358 X(o=-0.036,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0689) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0434 X(o=-0.043,f=-0.043) USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0.205 (180deg=0.168) USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00148 USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0429) USER MOD Single : A 49 LYS NZ :NH3+ -154:sc= 0.286 (180deg=0.0772) USER MOD Single : A 50 MET CE :methyl -141:sc= 0 (180deg=-1.14) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 143:sc= 0.366 (180deg=-0.501) USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= -0.0148 (180deg=-0.105) USER MOD Single : A 58 LYS NZ :NH3+ 130:sc= -1.26 (180deg=-2.47!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -137:sc= 0.72 (180deg=0.143) USER MOD Single : A 66 THR OG1 : rot 137:sc= -0.95 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HE2:sc= 0.0127 K(o=0.013,f=-0.6) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.294 K(o=-0.29,f=-1.3) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.024 14.418 -5.315 1.00 0.03 N ATOM 2 CA MET A 1 0.361 13.134 -5.609 1.00 0.52 C ATOM 3 C MET A 1 1.412 12.097 -6.019 1.00 64.11 C ATOM 4 O MET A 1 1.975 12.175 -7.115 1.00 53.04 O ATOM 5 CB MET A 1 -0.701 13.317 -6.730 1.00 43.50 C ATOM 6 CG MET A 1 -1.819 14.344 -6.441 1.00 41.15 C ATOM 7 SD MET A 1 -3.096 13.762 -5.281 1.00 74.20 S ATOM 8 CE MET A 1 -2.370 14.023 -3.659 1.00 24.04 C ATOM 0 H1 MET A 1 0.378 15.026 -4.772 1.00 0.03 H new ATOM 0 H2 MET A 1 1.886 14.244 -4.759 1.00 0.03 H new ATOM 0 H3 MET A 1 1.276 14.891 -6.206 1.00 0.03 H new ATOM 0 HA MET A 1 -0.152 12.781 -4.714 1.00 0.52 H new ATOM 0 HB2 MET A 1 -0.188 13.615 -7.644 1.00 43.50 H new ATOM 0 HB3 MET A 1 -1.165 12.350 -6.926 1.00 43.50 H new ATOM 0 HG2 MET A 1 -1.367 15.251 -6.039 1.00 41.15 H new ATOM 0 HG3 MET A 1 -2.297 14.616 -7.382 1.00 41.15 H new ATOM 0 HE1 MET A 1 -3.150 14.309 -2.953 1.00 24.04 H new ATOM 0 HE2 MET A 1 -1.894 13.102 -3.321 1.00 24.04 H new ATOM 0 HE3 MET A 1 -1.625 14.816 -3.717 1.00 24.04 H new ATOM 20 N VAL A 2 1.686 11.160 -5.103 1.00 31.21 N ATOM 21 CA VAL A 2 2.629 10.050 -5.281 1.00 62.00 C ATOM 22 C VAL A 2 1.835 8.768 -5.556 1.00 43.12 C ATOM 23 O VAL A 2 0.861 8.482 -4.855 1.00 75.43 O ATOM 24 CB VAL A 2 3.522 9.869 -3.990 1.00 71.20 C ATOM 25 CG1 VAL A 2 4.474 8.649 -4.104 1.00 4.33 C ATOM 26 CG2 VAL A 2 4.305 11.166 -3.684 1.00 31.43 C ATOM 0 H VAL A 2 1.241 11.154 -4.185 1.00 31.21 H new ATOM 0 HA VAL A 2 3.289 10.265 -6.122 1.00 62.00 H new ATOM 0 HB VAL A 2 2.852 9.667 -3.154 1.00 71.20 H new ATOM 0 HG11 VAL A 2 5.068 8.564 -3.194 1.00 4.33 H new ATOM 0 HG12 VAL A 2 3.887 7.741 -4.240 1.00 4.33 H new ATOM 0 HG13 VAL A 2 5.137 8.784 -4.959 1.00 4.33 H new ATOM 0 HG21 VAL A 2 4.914 11.021 -2.792 1.00 31.43 H new ATOM 0 HG22 VAL A 2 4.950 11.409 -4.528 1.00 31.43 H new ATOM 0 HG23 VAL A 2 3.604 11.983 -3.516 1.00 31.43 H new ATOM 36 N ASP A 3 2.245 8.005 -6.574 1.00 1.34 N ATOM 37 CA ASP A 3 1.608 6.722 -6.902 1.00 72.13 C ATOM 38 C ASP A 3 2.488 5.591 -6.355 1.00 51.14 C ATOM 39 O ASP A 3 3.616 5.384 -6.833 1.00 32.23 O ATOM 40 CB ASP A 3 1.385 6.594 -8.431 1.00 55.32 C ATOM 41 CG ASP A 3 0.786 5.228 -8.855 1.00 13.45 C ATOM 42 OD1 ASP A 3 -0.416 4.995 -8.608 1.00 62.51 O ATOM 43 OD2 ASP A 3 1.510 4.390 -9.436 1.00 55.31 O ATOM 0 H ASP A 3 3.019 8.254 -7.189 1.00 1.34 H new ATOM 0 HA ASP A 3 0.623 6.661 -6.439 1.00 72.13 H new ATOM 0 HB2 ASP A 3 0.720 7.392 -8.762 1.00 55.32 H new ATOM 0 HB3 ASP A 3 2.336 6.739 -8.943 1.00 55.32 H new ATOM 48 N LEU A 4 2.010 4.939 -5.291 1.00 73.31 N ATOM 49 CA LEU A 4 2.609 3.716 -4.761 1.00 71.41 C ATOM 50 C LEU A 4 1.879 2.530 -5.391 1.00 11.01 C ATOM 51 O LEU A 4 0.710 2.284 -5.097 1.00 51.43 O ATOM 52 CB LEU A 4 2.485 3.686 -3.213 1.00 51.22 C ATOM 53 CG LEU A 4 3.185 4.856 -2.456 1.00 22.32 C ATOM 54 CD1 LEU A 4 2.946 4.759 -0.941 1.00 1.10 C ATOM 55 CD2 LEU A 4 4.693 4.902 -2.773 1.00 64.21 C ATOM 0 H LEU A 4 1.190 5.250 -4.771 1.00 73.31 H new ATOM 0 HA LEU A 4 3.670 3.670 -5.004 1.00 71.41 H new ATOM 0 HB2 LEU A 4 1.427 3.690 -2.951 1.00 51.22 H new ATOM 0 HB3 LEU A 4 2.899 2.745 -2.852 1.00 51.22 H new ATOM 0 HG LEU A 4 2.741 5.788 -2.806 1.00 22.32 H new ATOM 0 HD11 LEU A 4 3.446 5.588 -0.440 1.00 1.10 H new ATOM 0 HD12 LEU A 4 1.876 4.804 -0.738 1.00 1.10 H new ATOM 0 HD13 LEU A 4 3.346 3.816 -0.569 1.00 1.10 H new ATOM 0 HD21 LEU A 4 5.154 5.728 -2.231 1.00 64.21 H new ATOM 0 HD22 LEU A 4 5.158 3.964 -2.469 1.00 64.21 H new ATOM 0 HD23 LEU A 4 4.835 5.047 -3.844 1.00 64.21 H new ATOM 67 N LYS A 5 2.569 1.822 -6.280 1.00 34.42 N ATOM 68 CA LYS A 5 2.026 0.659 -6.978 1.00 35.51 C ATOM 69 C LYS A 5 2.603 -0.592 -6.292 1.00 74.42 C ATOM 70 O LYS A 5 3.809 -0.853 -6.393 1.00 15.43 O ATOM 71 CB LYS A 5 2.406 0.741 -8.483 1.00 13.53 C ATOM 72 CG LYS A 5 1.609 -0.200 -9.410 1.00 12.11 C ATOM 73 CD LYS A 5 2.002 -0.049 -10.899 1.00 72.12 C ATOM 74 CE LYS A 5 3.424 -0.547 -11.204 1.00 71.54 C ATOM 75 NZ LYS A 5 3.545 -2.012 -11.000 1.00 54.50 N ATOM 0 H LYS A 5 3.531 2.041 -6.539 1.00 34.42 H new ATOM 0 HA LYS A 5 0.938 0.620 -6.929 1.00 35.51 H new ATOM 0 HB2 LYS A 5 2.264 1.767 -8.823 1.00 13.53 H new ATOM 0 HB3 LYS A 5 3.467 0.515 -8.587 1.00 13.53 H new ATOM 0 HG2 LYS A 5 1.771 -1.232 -9.099 1.00 12.11 H new ATOM 0 HG3 LYS A 5 0.544 0.003 -9.298 1.00 12.11 H new ATOM 0 HD2 LYS A 5 1.291 -0.601 -11.513 1.00 72.12 H new ATOM 0 HD3 LYS A 5 1.922 1.000 -11.184 1.00 72.12 H new ATOM 0 HE2 LYS A 5 3.684 -0.300 -12.233 1.00 71.54 H new ATOM 0 HE3 LYS A 5 4.137 -0.030 -10.562 1.00 71.54 H new ATOM 0 HZ1 LYS A 5 4.492 -2.234 -10.631 1.00 54.50 H new ATOM 0 HZ2 LYS A 5 2.825 -2.328 -10.319 1.00 54.50 H new ATOM 0 HZ3 LYS A 5 3.403 -2.502 -11.907 1.00 54.50 H new ATOM 89 N ILE A 6 1.755 -1.314 -5.539 1.00 25.24 N ATOM 90 CA ILE A 6 2.181 -2.431 -4.673 1.00 42.22 C ATOM 91 C ILE A 6 1.862 -3.775 -5.349 1.00 1.54 C ATOM 92 O ILE A 6 0.718 -4.221 -5.332 1.00 44.53 O ATOM 93 CB ILE A 6 1.453 -2.347 -3.267 1.00 42.04 C ATOM 94 CG1 ILE A 6 1.648 -0.937 -2.604 1.00 23.31 C ATOM 95 CG2 ILE A 6 1.909 -3.484 -2.315 1.00 10.12 C ATOM 96 CD1 ILE A 6 3.092 -0.530 -2.363 1.00 63.51 C ATOM 0 H ILE A 6 0.750 -1.140 -5.513 1.00 25.24 H new ATOM 0 HA ILE A 6 3.257 -2.359 -4.516 1.00 42.22 H new ATOM 0 HB ILE A 6 0.387 -2.483 -3.448 1.00 42.04 H new ATOM 0 HG12 ILE A 6 1.177 -0.186 -3.239 1.00 23.31 H new ATOM 0 HG13 ILE A 6 1.120 -0.925 -1.651 1.00 23.31 H new ATOM 0 HG21 ILE A 6 1.388 -3.392 -1.362 1.00 10.12 H new ATOM 0 HG22 ILE A 6 1.676 -4.450 -2.764 1.00 10.12 H new ATOM 0 HG23 ILE A 6 2.984 -3.410 -2.149 1.00 10.12 H new ATOM 0 HD11 ILE A 6 3.120 0.458 -1.903 1.00 63.51 H new ATOM 0 HD12 ILE A 6 3.568 -1.253 -1.700 1.00 63.51 H new ATOM 0 HD13 ILE A 6 3.626 -0.502 -3.313 1.00 63.51 H new ATOM 108 N ASP A 7 2.887 -4.434 -5.905 1.00 23.21 N ATOM 109 CA ASP A 7 2.727 -5.739 -6.560 1.00 15.51 C ATOM 110 C ASP A 7 2.455 -6.800 -5.490 1.00 21.03 C ATOM 111 O ASP A 7 3.311 -7.042 -4.640 1.00 24.23 O ATOM 112 CB ASP A 7 4.000 -6.069 -7.379 1.00 3.41 C ATOM 113 CG ASP A 7 3.866 -7.366 -8.188 1.00 61.41 C ATOM 114 OD1 ASP A 7 3.340 -7.321 -9.323 1.00 2.21 O ATOM 115 OD2 ASP A 7 4.273 -8.431 -7.690 1.00 21.23 O ATOM 0 H ASP A 7 3.844 -4.081 -5.914 1.00 23.21 H new ATOM 0 HA ASP A 7 1.884 -5.719 -7.250 1.00 15.51 H new ATOM 0 HB2 ASP A 7 4.214 -5.243 -8.058 1.00 3.41 H new ATOM 0 HB3 ASP A 7 4.850 -6.154 -6.702 1.00 3.41 H new ATOM 120 N VAL A 8 1.255 -7.406 -5.515 1.00 23.12 N ATOM 121 CA VAL A 8 0.824 -8.401 -4.501 1.00 1.32 C ATOM 122 C VAL A 8 0.809 -9.817 -5.116 1.00 4.42 C ATOM 123 O VAL A 8 0.445 -9.997 -6.283 1.00 12.14 O ATOM 124 CB VAL A 8 -0.590 -8.058 -3.877 1.00 33.13 C ATOM 125 CG1 VAL A 8 -0.538 -6.727 -3.090 1.00 72.21 C ATOM 126 CG2 VAL A 8 -1.716 -8.029 -4.943 1.00 53.43 C ATOM 0 H VAL A 8 0.554 -7.225 -6.234 1.00 23.12 H new ATOM 0 HA VAL A 8 1.549 -8.365 -3.688 1.00 1.32 H new ATOM 0 HB VAL A 8 -0.833 -8.862 -3.182 1.00 33.13 H new ATOM 0 HG11 VAL A 8 -1.521 -6.513 -2.671 1.00 72.21 H new ATOM 0 HG12 VAL A 8 0.190 -6.810 -2.283 1.00 72.21 H new ATOM 0 HG13 VAL A 8 -0.246 -5.919 -3.761 1.00 72.21 H new ATOM 0 HG21 VAL A 8 -2.665 -7.789 -4.463 1.00 53.43 H new ATOM 0 HG22 VAL A 8 -1.487 -7.272 -5.693 1.00 53.43 H new ATOM 0 HG23 VAL A 8 -1.788 -9.005 -5.423 1.00 53.43 H new ATOM 136 N SER A 9 1.205 -10.809 -4.312 1.00 33.43 N ATOM 137 CA SER A 9 1.306 -12.221 -4.721 1.00 73.33 C ATOM 138 C SER A 9 0.012 -12.987 -4.396 1.00 1.45 C ATOM 139 O SER A 9 -0.172 -14.123 -4.853 1.00 53.03 O ATOM 140 CB SER A 9 2.500 -12.871 -3.990 1.00 65.41 C ATOM 141 OG SER A 9 3.719 -12.199 -4.284 1.00 12.32 O ATOM 0 H SER A 9 1.470 -10.654 -3.339 1.00 33.43 H new ATOM 0 HA SER A 9 1.459 -12.265 -5.799 1.00 73.33 H new ATOM 0 HB2 SER A 9 2.323 -12.853 -2.915 1.00 65.41 H new ATOM 0 HB3 SER A 9 2.581 -13.918 -4.282 1.00 65.41 H new ATOM 0 HG SER A 9 4.456 -12.633 -3.805 1.00 12.32 H new ATOM 147 N ASP A 10 -0.884 -12.362 -3.603 1.00 42.43 N ATOM 148 CA ASP A 10 -2.098 -13.025 -3.105 1.00 31.00 C ATOM 149 C ASP A 10 -3.213 -11.988 -2.822 1.00 40.32 C ATOM 150 O ASP A 10 -2.939 -10.796 -2.630 1.00 72.34 O ATOM 151 CB ASP A 10 -1.730 -13.852 -1.840 1.00 33.03 C ATOM 152 CG ASP A 10 -2.884 -14.702 -1.298 1.00 71.55 C ATOM 153 OD1 ASP A 10 -3.166 -15.784 -1.855 1.00 44.31 O ATOM 154 OD2 ASP A 10 -3.521 -14.293 -0.324 1.00 41.33 O ATOM 0 H ASP A 10 -0.784 -11.395 -3.295 1.00 42.43 H new ATOM 0 HA ASP A 10 -2.492 -13.703 -3.862 1.00 31.00 H new ATOM 0 HB2 ASP A 10 -0.890 -14.505 -2.076 1.00 33.03 H new ATOM 0 HB3 ASP A 10 -1.394 -13.171 -1.058 1.00 33.03 H new ATOM 159 N ASP A 11 -4.475 -12.473 -2.800 1.00 32.43 N ATOM 160 CA ASP A 11 -5.700 -11.634 -2.673 1.00 41.24 C ATOM 161 C ASP A 11 -6.036 -11.333 -1.193 1.00 41.22 C ATOM 162 O ASP A 11 -6.534 -10.247 -0.884 1.00 64.33 O ATOM 163 CB ASP A 11 -6.904 -12.307 -3.400 1.00 71.23 C ATOM 164 CG ASP A 11 -7.336 -13.661 -2.800 1.00 52.44 C ATOM 165 OD1 ASP A 11 -6.492 -14.578 -2.722 1.00 52.41 O ATOM 166 OD2 ASP A 11 -8.523 -13.832 -2.443 1.00 34.33 O ATOM 0 H ASP A 11 -4.680 -13.470 -2.870 1.00 32.43 H new ATOM 0 HA ASP A 11 -5.500 -10.678 -3.157 1.00 41.24 H new ATOM 0 HB2 ASP A 11 -7.754 -11.625 -3.376 1.00 71.23 H new ATOM 0 HB3 ASP A 11 -6.643 -12.455 -4.448 1.00 71.23 H new ATOM 171 N GLU A 12 -5.768 -12.304 -0.290 1.00 45.42 N ATOM 172 CA GLU A 12 -5.829 -12.087 1.180 1.00 21.42 C ATOM 173 C GLU A 12 -4.799 -11.012 1.575 1.00 70.35 C ATOM 174 O GLU A 12 -5.085 -10.118 2.368 1.00 71.23 O ATOM 175 CB GLU A 12 -5.540 -13.425 1.921 1.00 41.11 C ATOM 176 CG GLU A 12 -5.174 -13.334 3.427 1.00 42.35 C ATOM 177 CD GLU A 12 -6.340 -12.928 4.336 1.00 61.40 C ATOM 178 OE1 GLU A 12 -7.267 -13.745 4.522 1.00 21.11 O ATOM 179 OE2 GLU A 12 -6.343 -11.801 4.880 1.00 54.33 O ATOM 0 H GLU A 12 -5.505 -13.254 -0.553 1.00 45.42 H new ATOM 0 HA GLU A 12 -6.824 -11.745 1.464 1.00 21.42 H new ATOM 0 HB2 GLU A 12 -6.419 -14.062 1.824 1.00 41.11 H new ATOM 0 HB3 GLU A 12 -4.723 -13.929 1.404 1.00 41.11 H new ATOM 0 HG2 GLU A 12 -4.792 -14.301 3.755 1.00 42.35 H new ATOM 0 HG3 GLU A 12 -4.365 -12.614 3.550 1.00 42.35 H new ATOM 186 N GLU A 13 -3.604 -11.120 0.969 1.00 50.32 N ATOM 187 CA GLU A 13 -2.497 -10.171 1.162 1.00 74.04 C ATOM 188 C GLU A 13 -2.912 -8.756 0.714 1.00 44.35 C ATOM 189 O GLU A 13 -2.615 -7.766 1.394 1.00 60.51 O ATOM 190 CB GLU A 13 -1.255 -10.673 0.384 1.00 4.13 C ATOM 191 CG GLU A 13 -0.007 -9.783 0.532 1.00 13.31 C ATOM 192 CD GLU A 13 1.193 -10.300 -0.267 1.00 21.52 C ATOM 193 OE1 GLU A 13 1.270 -10.011 -1.473 1.00 51.11 O ATOM 194 OE2 GLU A 13 2.067 -10.993 0.302 1.00 11.24 O ATOM 0 H GLU A 13 -3.378 -11.878 0.324 1.00 50.32 H new ATOM 0 HA GLU A 13 -2.245 -10.112 2.221 1.00 74.04 H new ATOM 0 HB2 GLU A 13 -1.011 -11.679 0.725 1.00 4.13 H new ATOM 0 HB3 GLU A 13 -1.510 -10.747 -0.673 1.00 4.13 H new ATOM 0 HG2 GLU A 13 -0.247 -8.772 0.203 1.00 13.31 H new ATOM 0 HG3 GLU A 13 0.265 -9.720 1.586 1.00 13.31 H new ATOM 201 N ALA A 14 -3.634 -8.699 -0.416 1.00 4.54 N ATOM 202 CA ALA A 14 -4.182 -7.457 -0.980 1.00 15.21 C ATOM 203 C ALA A 14 -5.167 -6.781 -0.008 1.00 32.24 C ATOM 204 O ALA A 14 -5.106 -5.562 0.186 1.00 11.24 O ATOM 205 CB ALA A 14 -4.847 -7.757 -2.331 1.00 74.22 C ATOM 0 H ALA A 14 -3.856 -9.526 -0.971 1.00 4.54 H new ATOM 0 HA ALA A 14 -3.364 -6.754 -1.138 1.00 15.21 H new ATOM 0 HB1 ALA A 14 -5.253 -6.836 -2.749 1.00 74.22 H new ATOM 0 HB2 ALA A 14 -4.108 -8.171 -3.016 1.00 74.22 H new ATOM 0 HB3 ALA A 14 -5.653 -8.477 -2.188 1.00 74.22 H new ATOM 211 N GLU A 15 -6.081 -7.590 0.576 1.00 74.53 N ATOM 212 CA GLU A 15 -7.012 -7.142 1.636 1.00 41.22 C ATOM 213 C GLU A 15 -6.258 -6.460 2.787 1.00 23.41 C ATOM 214 O GLU A 15 -6.643 -5.378 3.246 1.00 21.04 O ATOM 215 CB GLU A 15 -7.811 -8.348 2.206 1.00 53.23 C ATOM 216 CG GLU A 15 -8.871 -8.936 1.261 1.00 4.44 C ATOM 217 CD GLU A 15 -9.986 -7.934 0.924 1.00 11.53 C ATOM 218 OE1 GLU A 15 -10.722 -7.510 1.842 1.00 73.13 O ATOM 219 OE2 GLU A 15 -10.123 -7.540 -0.239 1.00 43.00 O ATOM 0 H GLU A 15 -6.193 -8.572 0.325 1.00 74.53 H new ATOM 0 HA GLU A 15 -7.697 -6.425 1.184 1.00 41.22 H new ATOM 0 HB2 GLU A 15 -7.107 -9.137 2.472 1.00 53.23 H new ATOM 0 HB3 GLU A 15 -8.302 -8.035 3.127 1.00 53.23 H new ATOM 0 HG2 GLU A 15 -8.389 -9.261 0.339 1.00 4.44 H new ATOM 0 HG3 GLU A 15 -9.310 -9.821 1.720 1.00 4.44 H new ATOM 226 N LYS A 16 -5.177 -7.117 3.217 1.00 30.13 N ATOM 227 CA LYS A 16 -4.387 -6.705 4.372 1.00 24.44 C ATOM 228 C LYS A 16 -3.624 -5.394 4.092 1.00 50.32 C ATOM 229 O LYS A 16 -3.440 -4.607 5.010 1.00 4.54 O ATOM 230 CB LYS A 16 -3.418 -7.836 4.782 1.00 74.30 C ATOM 231 CG LYS A 16 -4.105 -9.161 5.190 1.00 73.34 C ATOM 232 CD LYS A 16 -3.095 -10.294 5.455 1.00 30.11 C ATOM 233 CE LYS A 16 -2.219 -10.031 6.684 1.00 63.14 C ATOM 234 NZ LYS A 16 -3.041 -9.890 7.918 1.00 45.14 N ATOM 0 H LYS A 16 -4.825 -7.960 2.764 1.00 30.13 H new ATOM 0 HA LYS A 16 -5.067 -6.512 5.202 1.00 24.44 H new ATOM 0 HB2 LYS A 16 -2.741 -8.035 3.951 1.00 74.30 H new ATOM 0 HB3 LYS A 16 -2.807 -7.488 5.615 1.00 74.30 H new ATOM 0 HG2 LYS A 16 -4.703 -8.995 6.086 1.00 73.34 H new ATOM 0 HG3 LYS A 16 -4.791 -9.468 4.401 1.00 73.34 H new ATOM 0 HD2 LYS A 16 -3.635 -11.231 5.593 1.00 30.11 H new ATOM 0 HD3 LYS A 16 -2.458 -10.419 4.580 1.00 30.11 H new ATOM 0 HE2 LYS A 16 -1.510 -10.849 6.809 1.00 63.14 H new ATOM 0 HE3 LYS A 16 -1.635 -9.124 6.529 1.00 63.14 H new ATOM 0 HZ1 LYS A 16 -2.425 -9.951 8.754 1.00 45.14 H new ATOM 0 HZ2 LYS A 16 -3.524 -8.969 7.910 1.00 45.14 H new ATOM 0 HZ3 LYS A 16 -3.748 -10.652 7.953 1.00 45.14 H new ATOM 248 N ILE A 17 -3.193 -5.167 2.823 1.00 71.35 N ATOM 249 CA ILE A 17 -2.548 -3.897 2.399 1.00 23.11 C ATOM 250 C ILE A 17 -3.521 -2.719 2.603 1.00 54.03 C ATOM 251 O ILE A 17 -3.221 -1.772 3.330 1.00 52.52 O ATOM 252 CB ILE A 17 -2.082 -3.937 0.881 1.00 23.31 C ATOM 253 CG1 ILE A 17 -0.988 -5.021 0.659 1.00 25.02 C ATOM 254 CG2 ILE A 17 -1.573 -2.550 0.396 1.00 60.50 C ATOM 255 CD1 ILE A 17 0.297 -4.761 1.418 1.00 3.03 C ATOM 0 H ILE A 17 -3.282 -5.852 2.073 1.00 71.35 H new ATOM 0 HA ILE A 17 -1.660 -3.764 3.018 1.00 23.11 H new ATOM 0 HB ILE A 17 -2.957 -4.199 0.286 1.00 23.31 H new ATOM 0 HG12 ILE A 17 -1.385 -5.991 0.958 1.00 25.02 H new ATOM 0 HG13 ILE A 17 -0.763 -5.084 -0.406 1.00 25.02 H new ATOM 0 HG21 ILE A 17 -1.264 -2.620 -0.647 1.00 60.50 H new ATOM 0 HG22 ILE A 17 -2.373 -1.816 0.489 1.00 60.50 H new ATOM 0 HG23 ILE A 17 -0.724 -2.240 1.006 1.00 60.50 H new ATOM 0 HD11 ILE A 17 1.009 -5.560 1.212 1.00 3.03 H new ATOM 0 HD12 ILE A 17 0.720 -3.807 1.102 1.00 3.03 H new ATOM 0 HD13 ILE A 17 0.088 -4.729 2.487 1.00 3.03 H new ATOM 267 N ILE A 18 -4.706 -2.850 1.985 1.00 25.40 N ATOM 268 CA ILE A 18 -5.773 -1.828 1.991 1.00 61.21 C ATOM 269 C ILE A 18 -6.205 -1.500 3.434 1.00 15.21 C ATOM 270 O ILE A 18 -6.285 -0.328 3.822 1.00 72.13 O ATOM 271 CB ILE A 18 -6.989 -2.338 1.129 1.00 43.41 C ATOM 272 CG1 ILE A 18 -6.507 -2.609 -0.336 1.00 11.41 C ATOM 273 CG2 ILE A 18 -8.189 -1.356 1.167 1.00 2.44 C ATOM 274 CD1 ILE A 18 -7.578 -3.076 -1.293 1.00 22.54 C ATOM 0 H ILE A 18 -4.957 -3.685 1.456 1.00 25.40 H new ATOM 0 HA ILE A 18 -5.394 -0.906 1.549 1.00 61.21 H new ATOM 0 HB ILE A 18 -7.353 -3.270 1.562 1.00 43.41 H new ATOM 0 HG12 ILE A 18 -6.065 -1.694 -0.730 1.00 11.41 H new ATOM 0 HG13 ILE A 18 -5.716 -3.359 -0.308 1.00 11.41 H new ATOM 0 HG21 ILE A 18 -9.002 -1.751 0.558 1.00 2.44 H new ATOM 0 HG22 ILE A 18 -8.530 -1.238 2.195 1.00 2.44 H new ATOM 0 HG23 ILE A 18 -7.879 -0.388 0.774 1.00 2.44 H new ATOM 0 HD11 ILE A 18 -7.141 -3.235 -2.279 1.00 22.54 H new ATOM 0 HD12 ILE A 18 -8.007 -4.011 -0.931 1.00 22.54 H new ATOM 0 HD13 ILE A 18 -8.360 -2.320 -1.360 1.00 22.54 H new ATOM 286 N ARG A 19 -6.391 -2.569 4.227 1.00 40.24 N ATOM 287 CA ARG A 19 -6.811 -2.490 5.629 1.00 32.20 C ATOM 288 C ARG A 19 -5.744 -1.751 6.458 1.00 32.31 C ATOM 289 O ARG A 19 -6.060 -0.780 7.137 1.00 13.22 O ATOM 290 CB ARG A 19 -7.071 -3.922 6.184 1.00 75.51 C ATOM 291 CG ARG A 19 -7.808 -3.969 7.543 1.00 74.15 C ATOM 292 CD ARG A 19 -8.050 -5.411 8.034 1.00 43.14 C ATOM 293 NE ARG A 19 -9.015 -5.477 9.148 1.00 72.44 N ATOM 294 CZ ARG A 19 -8.752 -5.200 10.435 1.00 12.00 C ATOM 295 NH1 ARG A 19 -7.541 -4.819 10.825 1.00 21.34 N ATOM 296 NH2 ARG A 19 -9.719 -5.300 11.338 1.00 72.31 N ATOM 0 H ARG A 19 -6.250 -3.526 3.903 1.00 40.24 H new ATOM 0 HA ARG A 19 -7.741 -1.925 5.700 1.00 32.20 H new ATOM 0 HB2 ARG A 19 -7.654 -4.480 5.451 1.00 75.51 H new ATOM 0 HB3 ARG A 19 -6.115 -4.435 6.288 1.00 75.51 H new ATOM 0 HG2 ARG A 19 -7.225 -3.428 8.288 1.00 74.15 H new ATOM 0 HG3 ARG A 19 -8.764 -3.454 7.452 1.00 74.15 H new ATOM 0 HD2 ARG A 19 -8.416 -6.016 7.205 1.00 43.14 H new ATOM 0 HD3 ARG A 19 -7.103 -5.846 8.353 1.00 43.14 H new ATOM 0 HE ARG A 19 -9.968 -5.759 8.920 1.00 72.44 H new ATOM 0 HH11 ARG A 19 -6.789 -4.732 10.141 1.00 21.34 H new ATOM 0 HH12 ARG A 19 -7.363 -4.613 11.808 1.00 21.34 H new ATOM 0 HH21 ARG A 19 -10.656 -5.586 11.053 1.00 72.31 H new ATOM 0 HH22 ARG A 19 -9.526 -5.091 12.317 1.00 72.31 H new ATOM 310 N GLU A 20 -4.478 -2.186 6.311 1.00 62.31 N ATOM 311 CA GLU A 20 -3.321 -1.651 7.061 1.00 71.13 C ATOM 312 C GLU A 20 -3.125 -0.145 6.831 1.00 3.31 C ATOM 313 O GLU A 20 -2.888 0.614 7.786 1.00 33.25 O ATOM 314 CB GLU A 20 -2.042 -2.429 6.652 1.00 33.21 C ATOM 315 CG GLU A 20 -0.724 -1.969 7.316 1.00 71.11 C ATOM 316 CD GLU A 20 -0.698 -2.115 8.849 1.00 61.42 C ATOM 317 OE1 GLU A 20 -0.351 -3.210 9.350 1.00 12.43 O ATOM 318 OE2 GLU A 20 -1.035 -1.145 9.564 1.00 21.10 O ATOM 0 H GLU A 20 -4.225 -2.929 5.660 1.00 62.31 H new ATOM 0 HA GLU A 20 -3.517 -1.787 8.125 1.00 71.13 H new ATOM 0 HB2 GLU A 20 -2.193 -3.483 6.884 1.00 33.21 H new ATOM 0 HB3 GLU A 20 -1.926 -2.354 5.571 1.00 33.21 H new ATOM 0 HG2 GLU A 20 0.101 -2.544 6.895 1.00 71.11 H new ATOM 0 HG3 GLU A 20 -0.548 -0.924 7.060 1.00 71.11 H new ATOM 325 N ILE A 21 -3.228 0.276 5.565 1.00 44.43 N ATOM 326 CA ILE A 21 -3.073 1.681 5.193 1.00 43.12 C ATOM 327 C ILE A 21 -4.245 2.510 5.765 1.00 53.23 C ATOM 328 O ILE A 21 -4.042 3.618 6.246 1.00 24.23 O ATOM 329 CB ILE A 21 -2.968 1.856 3.637 1.00 13.44 C ATOM 330 CG1 ILE A 21 -1.774 1.041 3.035 1.00 22.32 C ATOM 331 CG2 ILE A 21 -2.847 3.342 3.250 1.00 43.53 C ATOM 332 CD1 ILE A 21 -0.392 1.389 3.574 1.00 14.11 C ATOM 0 H ILE A 21 -3.420 -0.344 4.778 1.00 44.43 H new ATOM 0 HA ILE A 21 -2.140 2.047 5.622 1.00 43.12 H new ATOM 0 HB ILE A 21 -3.891 1.459 3.213 1.00 13.44 H new ATOM 0 HG12 ILE A 21 -1.956 -0.019 3.214 1.00 22.32 H new ATOM 0 HG13 ILE A 21 -1.768 1.186 1.955 1.00 22.32 H new ATOM 0 HG21 ILE A 21 -2.776 3.431 2.166 1.00 43.53 H new ATOM 0 HG22 ILE A 21 -3.726 3.882 3.602 1.00 43.53 H new ATOM 0 HG23 ILE A 21 -1.953 3.766 3.708 1.00 43.53 H new ATOM 0 HD11 ILE A 21 0.356 0.764 3.087 1.00 14.11 H new ATOM 0 HD12 ILE A 21 -0.176 2.438 3.371 1.00 14.11 H new ATOM 0 HD13 ILE A 21 -0.366 1.215 4.650 1.00 14.11 H new ATOM 344 N ARG A 22 -5.456 1.924 5.764 1.00 50.21 N ATOM 345 CA ARG A 22 -6.670 2.588 6.292 1.00 15.31 C ATOM 346 C ARG A 22 -6.708 2.580 7.837 1.00 72.40 C ATOM 347 O ARG A 22 -7.496 3.322 8.421 1.00 74.31 O ATOM 348 CB ARG A 22 -7.955 1.935 5.714 1.00 23.11 C ATOM 349 CG ARG A 22 -8.209 2.215 4.214 1.00 21.53 C ATOM 350 CD ARG A 22 -9.467 1.491 3.695 1.00 24.30 C ATOM 351 NE ARG A 22 -9.763 1.817 2.291 1.00 24.43 N ATOM 352 CZ ARG A 22 -10.753 1.276 1.560 1.00 14.53 C ATOM 353 NH1 ARG A 22 -11.574 0.354 2.074 1.00 31.45 N ATOM 354 NH2 ARG A 22 -10.929 1.667 0.309 1.00 2.04 N ATOM 0 H ARG A 22 -5.624 0.986 5.402 1.00 50.21 H new ATOM 0 HA ARG A 22 -6.632 3.628 5.969 1.00 15.31 H new ATOM 0 HB2 ARG A 22 -7.896 0.857 5.863 1.00 23.11 H new ATOM 0 HB3 ARG A 22 -8.813 2.289 6.285 1.00 23.11 H new ATOM 0 HG2 ARG A 22 -8.319 3.288 4.059 1.00 21.53 H new ATOM 0 HG3 ARG A 22 -7.343 1.897 3.634 1.00 21.53 H new ATOM 0 HD2 ARG A 22 -9.330 0.414 3.794 1.00 24.30 H new ATOM 0 HD3 ARG A 22 -10.321 1.762 4.316 1.00 24.30 H new ATOM 0 HE ARG A 22 -9.169 2.510 1.835 1.00 24.43 H new ATOM 0 HH11 ARG A 22 -11.456 0.047 3.040 1.00 31.45 H new ATOM 0 HH12 ARG A 22 -12.318 -0.043 1.500 1.00 31.45 H new ATOM 0 HH21 ARG A 22 -10.316 2.375 -0.095 1.00 2.04 H new ATOM 0 HH22 ARG A 22 -11.678 1.261 -0.252 1.00 2.04 H new ATOM 368 N GLU A 23 -5.866 1.737 8.488 1.00 14.11 N ATOM 369 CA GLU A 23 -5.774 1.676 9.968 1.00 55.44 C ATOM 370 C GLU A 23 -5.139 2.972 10.503 1.00 1.54 C ATOM 371 O GLU A 23 -5.664 3.613 11.418 1.00 23.23 O ATOM 372 CB GLU A 23 -4.918 0.449 10.433 1.00 2.23 C ATOM 373 CG GLU A 23 -5.580 -0.935 10.254 1.00 0.34 C ATOM 374 CD GLU A 23 -6.889 -1.105 11.046 1.00 5.10 C ATOM 375 OE1 GLU A 23 -6.854 -0.991 12.294 1.00 53.31 O ATOM 376 OE2 GLU A 23 -7.949 -1.368 10.434 1.00 61.24 O ATOM 0 H GLU A 23 -5.240 1.089 8.009 1.00 14.11 H new ATOM 0 HA GLU A 23 -6.783 1.564 10.365 1.00 55.44 H new ATOM 0 HB2 GLU A 23 -3.978 0.456 9.882 1.00 2.23 H new ATOM 0 HB3 GLU A 23 -4.671 0.580 11.487 1.00 2.23 H new ATOM 0 HG2 GLU A 23 -5.783 -1.096 9.195 1.00 0.34 H new ATOM 0 HG3 GLU A 23 -4.876 -1.707 10.564 1.00 0.34 H new ATOM 383 N GLN A 24 -4.004 3.341 9.887 1.00 31.44 N ATOM 384 CA GLN A 24 -3.156 4.469 10.322 1.00 65.41 C ATOM 385 C GLN A 24 -3.542 5.767 9.579 1.00 10.14 C ATOM 386 O GLN A 24 -3.537 6.853 10.166 1.00 64.43 O ATOM 387 CB GLN A 24 -1.669 4.105 10.075 1.00 71.11 C ATOM 388 CG GLN A 24 -1.195 2.833 10.819 1.00 22.10 C ATOM 389 CD GLN A 24 0.213 2.396 10.407 1.00 31.34 C ATOM 390 OE1 GLN A 24 1.208 2.856 10.963 1.00 73.32 O ATOM 391 NE2 GLN A 24 0.306 1.489 9.438 1.00 11.34 N ATOM 0 H GLN A 24 -3.643 2.860 9.063 1.00 31.44 H new ATOM 0 HA GLN A 24 -3.309 4.649 11.386 1.00 65.41 H new ATOM 0 HB2 GLN A 24 -1.514 3.966 9.005 1.00 71.11 H new ATOM 0 HB3 GLN A 24 -1.045 4.945 10.381 1.00 71.11 H new ATOM 0 HG2 GLN A 24 -1.214 3.017 11.893 1.00 22.10 H new ATOM 0 HG3 GLN A 24 -1.895 2.021 10.623 1.00 22.10 H new ATOM 0 HE21 GLN A 24 -0.539 1.126 8.996 1.00 11.34 H new ATOM 0 HE22 GLN A 24 1.222 1.156 9.137 1.00 11.34 H new ATOM 400 N TRP A 25 -3.851 5.637 8.276 1.00 61.11 N ATOM 401 CA TRP A 25 -4.257 6.773 7.406 1.00 13.50 C ATOM 402 C TRP A 25 -5.647 6.501 6.782 1.00 13.25 C ATOM 403 O TRP A 25 -5.728 5.875 5.713 1.00 53.02 O ATOM 404 CB TRP A 25 -3.211 7.003 6.274 1.00 72.32 C ATOM 405 CG TRP A 25 -1.782 7.043 6.750 1.00 52.30 C ATOM 406 CD1 TRP A 25 -1.085 8.124 7.213 1.00 75.14 C ATOM 407 CD2 TRP A 25 -0.879 5.928 6.814 1.00 44.54 C ATOM 408 NE1 TRP A 25 0.177 7.739 7.585 1.00 44.13 N ATOM 409 CE2 TRP A 25 0.326 6.398 7.347 1.00 21.32 C ATOM 410 CE3 TRP A 25 -0.984 4.575 6.472 1.00 2.01 C ATOM 411 CZ2 TRP A 25 1.410 5.564 7.564 1.00 42.54 C ATOM 412 CZ3 TRP A 25 0.094 3.746 6.683 1.00 2.41 C ATOM 413 CH2 TRP A 25 1.281 4.242 7.223 1.00 51.21 C ATOM 0 H TRP A 25 -3.828 4.741 7.789 1.00 61.11 H new ATOM 0 HA TRP A 25 -4.309 7.670 8.023 1.00 13.50 H new ATOM 0 HB2 TRP A 25 -3.313 6.209 5.534 1.00 72.32 H new ATOM 0 HB3 TRP A 25 -3.440 7.941 5.769 1.00 72.32 H new ATOM 0 HD1 TRP A 25 -1.471 9.131 7.276 1.00 75.14 H new ATOM 0 HE1 TRP A 25 0.891 8.353 7.977 1.00 44.13 H new ATOM 0 HE3 TRP A 25 -1.898 4.187 6.048 1.00 2.01 H new ATOM 0 HZ2 TRP A 25 2.328 5.943 7.988 1.00 42.54 H new ATOM 0 HZ3 TRP A 25 0.020 2.699 6.428 1.00 2.41 H new ATOM 0 HH2 TRP A 25 2.114 3.572 7.375 1.00 51.21 H new ATOM 424 N PRO A 26 -6.768 6.932 7.439 1.00 31.31 N ATOM 425 CA PRO A 26 -8.125 6.852 6.836 1.00 13.41 C ATOM 426 C PRO A 26 -8.263 7.723 5.567 1.00 10.14 C ATOM 427 O PRO A 26 -9.038 7.388 4.667 1.00 24.33 O ATOM 428 CB PRO A 26 -9.061 7.348 7.973 1.00 32.12 C ATOM 429 CG PRO A 26 -8.170 8.154 8.876 1.00 55.33 C ATOM 430 CD PRO A 26 -6.820 7.470 8.829 1.00 33.25 C ATOM 0 HA PRO A 26 -8.363 5.844 6.496 1.00 13.41 H new ATOM 0 HB2 PRO A 26 -9.877 7.954 7.578 1.00 32.12 H new ATOM 0 HB3 PRO A 26 -9.514 6.512 8.506 1.00 32.12 H new ATOM 0 HG2 PRO A 26 -8.098 9.187 8.536 1.00 55.33 H new ATOM 0 HG3 PRO A 26 -8.562 8.179 9.893 1.00 55.33 H new ATOM 0 HD2 PRO A 26 -6.006 8.169 9.023 1.00 33.25 H new ATOM 0 HD3 PRO A 26 -6.743 6.677 9.573 1.00 33.25 H new ATOM 438 N LYS A 27 -7.492 8.829 5.507 1.00 23.32 N ATOM 439 CA LYS A 27 -7.549 9.802 4.385 1.00 23.42 C ATOM 440 C LYS A 27 -6.721 9.338 3.166 1.00 34.02 C ATOM 441 O LYS A 27 -6.874 9.902 2.068 1.00 1.14 O ATOM 442 CB LYS A 27 -7.080 11.222 4.825 1.00 74.33 C ATOM 443 CG LYS A 27 -8.071 12.036 5.696 1.00 4.33 C ATOM 444 CD LYS A 27 -8.232 11.498 7.130 1.00 63.10 C ATOM 445 CE LYS A 27 -9.205 12.344 7.972 1.00 20.41 C ATOM 446 NZ LYS A 27 -10.586 12.344 7.407 1.00 22.31 N ATOM 0 H LYS A 27 -6.815 9.076 6.228 1.00 23.32 H new ATOM 0 HA LYS A 27 -8.596 9.855 4.088 1.00 23.42 H new ATOM 0 HB2 LYS A 27 -6.146 11.117 5.377 1.00 74.33 H new ATOM 0 HB3 LYS A 27 -6.857 11.801 3.929 1.00 74.33 H new ATOM 0 HG2 LYS A 27 -7.732 13.071 5.743 1.00 4.33 H new ATOM 0 HG3 LYS A 27 -9.046 12.042 5.209 1.00 4.33 H new ATOM 0 HD2 LYS A 27 -8.591 10.469 7.090 1.00 63.10 H new ATOM 0 HD3 LYS A 27 -7.258 11.477 7.618 1.00 63.10 H new ATOM 0 HE2 LYS A 27 -9.231 11.958 8.991 1.00 20.41 H new ATOM 0 HE3 LYS A 27 -8.837 13.369 8.029 1.00 20.41 H new ATOM 0 HZ1 LYS A 27 -11.231 12.825 8.066 1.00 22.31 H new ATOM 0 HZ2 LYS A 27 -10.588 12.843 6.495 1.00 22.31 H new ATOM 0 HZ3 LYS A 27 -10.903 11.364 7.266 1.00 22.31 H new ATOM 460 N ALA A 28 -5.827 8.353 3.370 1.00 1.43 N ATOM 461 CA ALA A 28 -5.023 7.756 2.279 1.00 32.41 C ATOM 462 C ALA A 28 -5.937 7.099 1.231 1.00 63.00 C ATOM 463 O ALA A 28 -6.655 6.139 1.547 1.00 42.22 O ATOM 464 CB ALA A 28 -4.024 6.733 2.835 1.00 35.44 C ATOM 0 H ALA A 28 -5.640 7.949 4.287 1.00 1.43 H new ATOM 0 HA ALA A 28 -4.461 8.555 1.796 1.00 32.41 H new ATOM 0 HB1 ALA A 28 -3.445 6.308 2.015 1.00 35.44 H new ATOM 0 HB2 ALA A 28 -3.352 7.226 3.537 1.00 35.44 H new ATOM 0 HB3 ALA A 28 -4.565 5.938 3.348 1.00 35.44 H new ATOM 470 N THR A 29 -5.922 7.636 0.006 1.00 30.11 N ATOM 471 CA THR A 29 -6.780 7.166 -1.082 1.00 63.14 C ATOM 472 C THR A 29 -6.236 5.833 -1.635 1.00 14.52 C ATOM 473 O THR A 29 -5.230 5.808 -2.349 1.00 14.13 O ATOM 474 CB THR A 29 -6.875 8.241 -2.208 1.00 63.41 C ATOM 475 OG1 THR A 29 -7.332 9.494 -1.653 1.00 34.54 O ATOM 476 CG2 THR A 29 -7.816 7.812 -3.355 1.00 73.01 C ATOM 0 H THR A 29 -5.312 8.410 -0.257 1.00 30.11 H new ATOM 0 HA THR A 29 -7.786 6.999 -0.696 1.00 63.14 H new ATOM 0 HB THR A 29 -5.876 8.356 -2.628 1.00 63.41 H new ATOM 0 HG1 THR A 29 -7.388 10.166 -2.364 1.00 34.54 H new ATOM 0 HG21 THR A 29 -7.847 8.595 -4.113 1.00 73.01 H new ATOM 0 HG22 THR A 29 -7.447 6.889 -3.802 1.00 73.01 H new ATOM 0 HG23 THR A 29 -8.819 7.649 -2.961 1.00 73.01 H new ATOM 484 N VAL A 30 -6.893 4.732 -1.253 1.00 34.32 N ATOM 485 CA VAL A 30 -6.573 3.390 -1.743 1.00 44.23 C ATOM 486 C VAL A 30 -7.550 3.048 -2.874 1.00 41.52 C ATOM 487 O VAL A 30 -8.748 2.888 -2.625 1.00 3.52 O ATOM 488 CB VAL A 30 -6.660 2.294 -0.608 1.00 31.03 C ATOM 489 CG1 VAL A 30 -6.115 0.945 -1.122 1.00 12.11 C ATOM 490 CG2 VAL A 30 -5.925 2.737 0.683 1.00 54.24 C ATOM 0 H VAL A 30 -7.668 4.749 -0.590 1.00 34.32 H new ATOM 0 HA VAL A 30 -5.543 3.390 -2.100 1.00 44.23 H new ATOM 0 HB VAL A 30 -7.711 2.169 -0.348 1.00 31.03 H new ATOM 0 HG11 VAL A 30 -6.181 0.200 -0.329 1.00 12.11 H new ATOM 0 HG12 VAL A 30 -6.704 0.617 -1.978 1.00 12.11 H new ATOM 0 HG13 VAL A 30 -5.074 1.064 -1.422 1.00 12.11 H new ATOM 0 HG21 VAL A 30 -6.010 1.954 1.437 1.00 54.24 H new ATOM 0 HG22 VAL A 30 -4.873 2.914 0.460 1.00 54.24 H new ATOM 0 HG23 VAL A 30 -6.375 3.655 1.061 1.00 54.24 H new ATOM 500 N THR A 31 -7.049 2.978 -4.103 1.00 65.30 N ATOM 501 CA THR A 31 -7.830 2.582 -5.280 1.00 21.34 C ATOM 502 C THR A 31 -7.631 1.076 -5.513 1.00 51.03 C ATOM 503 O THR A 31 -6.504 0.570 -5.400 1.00 14.40 O ATOM 504 CB THR A 31 -7.371 3.405 -6.526 1.00 35.32 C ATOM 505 OG1 THR A 31 -7.511 4.807 -6.246 1.00 13.54 O ATOM 506 CG2 THR A 31 -8.156 3.057 -7.806 1.00 73.41 C ATOM 0 H THR A 31 -6.076 3.197 -4.317 1.00 65.30 H new ATOM 0 HA THR A 31 -8.889 2.785 -5.117 1.00 21.34 H new ATOM 0 HB THR A 31 -6.329 3.147 -6.714 1.00 35.32 H new ATOM 0 HG1 THR A 31 -7.222 5.327 -7.025 1.00 13.54 H new ATOM 0 HG21 THR A 31 -7.789 3.663 -8.634 1.00 73.41 H new ATOM 0 HG22 THR A 31 -8.020 2.001 -8.041 1.00 73.41 H new ATOM 0 HG23 THR A 31 -9.215 3.260 -7.650 1.00 73.41 H new ATOM 514 N ARG A 32 -8.720 0.359 -5.832 1.00 72.41 N ATOM 515 CA ARG A 32 -8.704 -1.096 -5.977 1.00 41.55 C ATOM 516 C ARG A 32 -8.249 -1.449 -7.399 1.00 54.33 C ATOM 517 O ARG A 32 -8.919 -1.084 -8.366 1.00 31.25 O ATOM 518 CB ARG A 32 -10.123 -1.657 -5.703 1.00 74.21 C ATOM 519 CG ARG A 32 -10.209 -3.192 -5.545 1.00 11.20 C ATOM 520 CD ARG A 32 -9.470 -3.688 -4.293 1.00 3.34 C ATOM 521 NE ARG A 32 -9.482 -5.155 -4.175 1.00 51.41 N ATOM 522 CZ ARG A 32 -9.688 -5.840 -3.044 1.00 54.42 C ATOM 523 NH1 ARG A 32 -9.928 -5.213 -1.893 1.00 4.22 N ATOM 524 NH2 ARG A 32 -9.616 -7.157 -3.054 1.00 52.43 N ATOM 0 H ARG A 32 -9.636 0.777 -5.996 1.00 72.41 H new ATOM 0 HA ARG A 32 -8.012 -1.539 -5.261 1.00 41.55 H new ATOM 0 HB2 ARG A 32 -10.510 -1.193 -4.796 1.00 74.21 H new ATOM 0 HB3 ARG A 32 -10.779 -1.355 -6.520 1.00 74.21 H new ATOM 0 HG2 ARG A 32 -11.255 -3.492 -5.490 1.00 11.20 H new ATOM 0 HG3 ARG A 32 -9.786 -3.671 -6.428 1.00 11.20 H new ATOM 0 HD2 ARG A 32 -8.438 -3.338 -4.321 1.00 3.34 H new ATOM 0 HD3 ARG A 32 -9.931 -3.252 -3.407 1.00 3.34 H new ATOM 0 HE ARG A 32 -9.320 -5.694 -5.026 1.00 51.41 H new ATOM 0 HH11 ARG A 32 -9.957 -4.194 -1.864 1.00 4.22 H new ATOM 0 HH12 ARG A 32 -10.083 -5.752 -1.041 1.00 4.22 H new ATOM 0 HH21 ARG A 32 -9.404 -7.650 -3.922 1.00 52.43 H new ATOM 0 HH22 ARG A 32 -9.772 -7.683 -2.194 1.00 52.43 H new ATOM 538 N THR A 33 -7.103 -2.121 -7.522 1.00 71.34 N ATOM 539 CA THR A 33 -6.527 -2.515 -8.815 1.00 41.00 C ATOM 540 C THR A 33 -6.018 -3.963 -8.698 1.00 63.35 C ATOM 541 O THR A 33 -5.413 -4.321 -7.675 1.00 75.13 O ATOM 542 CB THR A 33 -5.392 -1.523 -9.247 1.00 63.33 C ATOM 543 OG1 THR A 33 -5.911 -0.183 -9.294 1.00 72.13 O ATOM 544 CG2 THR A 33 -4.781 -1.876 -10.617 1.00 52.54 C ATOM 0 H THR A 33 -6.541 -2.411 -6.721 1.00 71.34 H new ATOM 0 HA THR A 33 -7.287 -2.469 -9.595 1.00 41.00 H new ATOM 0 HB THR A 33 -4.600 -1.604 -8.503 1.00 63.33 H new ATOM 0 HG1 THR A 33 -5.199 0.434 -9.563 1.00 72.13 H new ATOM 0 HG21 THR A 33 -4.001 -1.156 -10.864 1.00 52.54 H new ATOM 0 HG22 THR A 33 -4.351 -2.877 -10.577 1.00 52.54 H new ATOM 0 HG23 THR A 33 -5.558 -1.846 -11.381 1.00 52.54 H new ATOM 552 N ASN A 34 -6.338 -4.821 -9.688 1.00 64.22 N ATOM 553 CA ASN A 34 -5.866 -6.222 -9.736 1.00 72.42 C ATOM 554 C ASN A 34 -4.356 -6.264 -10.060 1.00 0.31 C ATOM 555 O ASN A 34 -3.854 -5.372 -10.755 1.00 1.24 O ATOM 556 CB ASN A 34 -6.691 -7.012 -10.792 1.00 44.15 C ATOM 557 CG ASN A 34 -6.285 -8.493 -10.942 1.00 32.41 C ATOM 558 OD1 ASN A 34 -5.441 -8.846 -11.770 1.00 64.24 O ATOM 559 ND2 ASN A 34 -6.852 -9.359 -10.120 1.00 41.31 N ATOM 0 H ASN A 34 -6.931 -4.563 -10.477 1.00 64.22 H new ATOM 0 HA ASN A 34 -6.011 -6.691 -8.763 1.00 72.42 H new ATOM 0 HB2 ASN A 34 -7.746 -6.963 -10.522 1.00 44.15 H new ATOM 0 HB3 ASN A 34 -6.587 -6.520 -11.759 1.00 44.15 H new ATOM 0 HD21 ASN A 34 -6.594 -10.345 -10.161 1.00 41.31 H new ATOM 0 HD22 ASN A 34 -7.547 -9.041 -9.445 1.00 41.31 H new ATOM 566 N GLY A 35 -3.667 -7.335 -9.612 1.00 73.21 N ATOM 567 CA GLY A 35 -2.194 -7.443 -9.685 1.00 71.02 C ATOM 568 C GLY A 35 -1.443 -6.547 -8.703 1.00 72.34 C ATOM 569 O GLY A 35 -0.644 -7.025 -7.889 1.00 45.54 O ATOM 0 H GLY A 35 -4.115 -8.148 -9.190 1.00 73.21 H new ATOM 0 HA2 GLY A 35 -1.909 -8.479 -9.503 1.00 71.02 H new ATOM 0 HA3 GLY A 35 -1.874 -7.198 -10.698 1.00 71.02 H new ATOM 573 N ASP A 36 -1.689 -5.237 -8.805 1.00 64.23 N ATOM 574 CA ASP A 36 -1.029 -4.213 -7.990 1.00 21.54 C ATOM 575 C ASP A 36 -2.070 -3.375 -7.247 1.00 21.32 C ATOM 576 O ASP A 36 -3.066 -2.988 -7.836 1.00 32.41 O ATOM 577 CB ASP A 36 -0.183 -3.270 -8.889 1.00 21.23 C ATOM 578 CG ASP A 36 1.001 -3.962 -9.591 1.00 41.01 C ATOM 579 OD1 ASP A 36 0.779 -4.726 -10.554 1.00 24.33 O ATOM 580 OD2 ASP A 36 2.166 -3.726 -9.202 1.00 72.32 O ATOM 0 H ASP A 36 -2.363 -4.853 -9.467 1.00 64.23 H new ATOM 0 HA ASP A 36 -0.381 -4.717 -7.273 1.00 21.54 H new ATOM 0 HB2 ASP A 36 -0.832 -2.829 -9.645 1.00 21.23 H new ATOM 0 HB3 ASP A 36 0.199 -2.451 -8.279 1.00 21.23 H new ATOM 585 N ILE A 37 -1.792 -3.041 -5.982 1.00 33.34 N ATOM 586 CA ILE A 37 -2.651 -2.183 -5.160 1.00 35.11 C ATOM 587 C ILE A 37 -2.167 -0.730 -5.300 1.00 21.41 C ATOM 588 O ILE A 37 -1.057 -0.384 -4.889 1.00 43.40 O ATOM 589 CB ILE A 37 -2.630 -2.621 -3.641 1.00 41.20 C ATOM 590 CG1 ILE A 37 -3.130 -4.095 -3.495 1.00 33.33 C ATOM 591 CG2 ILE A 37 -3.469 -1.651 -2.754 1.00 14.50 C ATOM 592 CD1 ILE A 37 -4.597 -4.313 -3.853 1.00 53.13 C ATOM 0 H ILE A 37 -0.955 -3.363 -5.495 1.00 33.34 H new ATOM 0 HA ILE A 37 -3.680 -2.276 -5.508 1.00 35.11 H new ATOM 0 HB ILE A 37 -1.600 -2.569 -3.288 1.00 41.20 H new ATOM 0 HG12 ILE A 37 -2.517 -4.736 -4.129 1.00 33.33 H new ATOM 0 HG13 ILE A 37 -2.970 -4.418 -2.466 1.00 33.33 H new ATOM 0 HG21 ILE A 37 -3.432 -1.983 -1.716 1.00 14.50 H new ATOM 0 HG22 ILE A 37 -3.059 -0.644 -2.828 1.00 14.50 H new ATOM 0 HG23 ILE A 37 -4.504 -1.647 -3.097 1.00 14.50 H new ATOM 0 HD11 ILE A 37 -4.851 -5.365 -3.721 1.00 53.13 H new ATOM 0 HD12 ILE A 37 -5.225 -3.703 -3.203 1.00 53.13 H new ATOM 0 HD13 ILE A 37 -4.765 -4.027 -4.891 1.00 53.13 H new ATOM 604 N LYS A 38 -3.020 0.093 -5.913 1.00 43.15 N ATOM 605 CA LYS A 38 -2.750 1.492 -6.221 1.00 13.50 C ATOM 606 C LYS A 38 -3.117 2.373 -5.007 1.00 4.13 C ATOM 607 O LYS A 38 -4.288 2.517 -4.659 1.00 71.21 O ATOM 608 CB LYS A 38 -3.553 1.879 -7.490 1.00 33.32 C ATOM 609 CG LYS A 38 -3.560 3.384 -7.828 1.00 32.23 C ATOM 610 CD LYS A 38 -4.322 3.697 -9.129 1.00 21.52 C ATOM 611 CE LYS A 38 -3.557 3.264 -10.386 1.00 42.15 C ATOM 612 NZ LYS A 38 -2.282 4.017 -10.526 1.00 61.32 N ATOM 0 H LYS A 38 -3.946 -0.209 -6.217 1.00 43.15 H new ATOM 0 HA LYS A 38 -1.690 1.649 -6.423 1.00 13.50 H new ATOM 0 HB2 LYS A 38 -3.143 1.334 -8.340 1.00 33.32 H new ATOM 0 HB3 LYS A 38 -4.583 1.546 -7.364 1.00 33.32 H new ATOM 0 HG2 LYS A 38 -4.014 3.935 -7.004 1.00 32.23 H new ATOM 0 HG3 LYS A 38 -2.533 3.736 -7.920 1.00 32.23 H new ATOM 0 HD2 LYS A 38 -5.289 3.195 -9.107 1.00 21.52 H new ATOM 0 HD3 LYS A 38 -4.519 4.768 -9.180 1.00 21.52 H new ATOM 0 HE2 LYS A 38 -3.348 2.195 -10.337 1.00 42.15 H new ATOM 0 HE3 LYS A 38 -4.178 3.428 -11.267 1.00 42.15 H new ATOM 0 HZ1 LYS A 38 -1.819 3.753 -11.419 1.00 61.32 H new ATOM 0 HZ2 LYS A 38 -2.480 5.038 -10.528 1.00 61.32 H new ATOM 0 HZ3 LYS A 38 -1.654 3.788 -9.729 1.00 61.32 H new ATOM 626 N LEU A 39 -2.089 2.908 -4.344 1.00 0.31 N ATOM 627 CA LEU A 39 -2.220 3.807 -3.188 1.00 42.20 C ATOM 628 C LEU A 39 -1.687 5.196 -3.564 1.00 21.41 C ATOM 629 O LEU A 39 -0.663 5.308 -4.238 1.00 44.51 O ATOM 630 CB LEU A 39 -1.438 3.233 -1.971 1.00 24.44 C ATOM 631 CG LEU A 39 -1.316 4.166 -0.720 1.00 74.24 C ATOM 632 CD1 LEU A 39 -2.700 4.571 -0.178 1.00 1.15 C ATOM 633 CD2 LEU A 39 -0.451 3.507 0.365 1.00 24.52 C ATOM 0 H LEU A 39 -1.119 2.726 -4.600 1.00 0.31 H new ATOM 0 HA LEU A 39 -3.270 3.891 -2.909 1.00 42.20 H new ATOM 0 HB2 LEU A 39 -1.921 2.307 -1.661 1.00 24.44 H new ATOM 0 HB3 LEU A 39 -0.433 2.973 -2.303 1.00 24.44 H new ATOM 0 HG LEU A 39 -0.818 5.084 -1.032 1.00 74.24 H new ATOM 0 HD11 LEU A 39 -2.576 5.218 0.690 1.00 1.15 H new ATOM 0 HD12 LEU A 39 -3.252 5.104 -0.952 1.00 1.15 H new ATOM 0 HD13 LEU A 39 -3.253 3.678 0.112 1.00 1.15 H new ATOM 0 HD21 LEU A 39 -0.379 4.171 1.226 1.00 24.52 H new ATOM 0 HD22 LEU A 39 -0.906 2.565 0.671 1.00 24.52 H new ATOM 0 HD23 LEU A 39 0.546 3.316 -0.031 1.00 24.52 H new ATOM 645 N ASP A 40 -2.401 6.250 -3.147 1.00 14.13 N ATOM 646 CA ASP A 40 -1.973 7.646 -3.326 1.00 12.31 C ATOM 647 C ASP A 40 -1.446 8.183 -1.992 1.00 41.35 C ATOM 648 O ASP A 40 -2.178 8.205 -0.988 1.00 54.53 O ATOM 649 CB ASP A 40 -3.142 8.530 -3.829 1.00 63.15 C ATOM 650 CG ASP A 40 -2.760 10.030 -3.947 1.00 73.10 C ATOM 651 OD1 ASP A 40 -2.089 10.416 -4.929 1.00 30.20 O ATOM 652 OD2 ASP A 40 -3.132 10.828 -3.059 1.00 23.01 O ATOM 0 H ASP A 40 -3.299 6.158 -2.672 1.00 14.13 H new ATOM 0 HA ASP A 40 -1.184 7.677 -4.078 1.00 12.31 H new ATOM 0 HB2 ASP A 40 -3.472 8.167 -4.802 1.00 63.15 H new ATOM 0 HB3 ASP A 40 -3.987 8.428 -3.148 1.00 63.15 H new ATOM 657 N ALA A 41 -0.169 8.564 -1.981 1.00 54.42 N ATOM 658 CA ALA A 41 0.442 9.322 -0.888 1.00 21.24 C ATOM 659 C ALA A 41 0.408 10.810 -1.252 1.00 64.43 C ATOM 660 O ALA A 41 0.690 11.174 -2.396 1.00 50.10 O ATOM 661 CB ALA A 41 1.880 8.836 -0.641 1.00 44.11 C ATOM 0 H ALA A 41 0.479 8.353 -2.740 1.00 54.42 H new ATOM 0 HA ALA A 41 -0.114 9.168 0.037 1.00 21.24 H new ATOM 0 HB1 ALA A 41 2.322 9.408 0.174 1.00 44.11 H new ATOM 0 HB2 ALA A 41 1.866 7.779 -0.377 1.00 44.11 H new ATOM 0 HB3 ALA A 41 2.472 8.976 -1.546 1.00 44.11 H new ATOM 667 N GLN A 42 0.034 11.657 -0.286 1.00 71.15 N ATOM 668 CA GLN A 42 0.011 13.122 -0.460 1.00 10.22 C ATOM 669 C GLN A 42 1.448 13.641 -0.691 1.00 10.50 C ATOM 670 O GLN A 42 1.706 14.444 -1.598 1.00 41.10 O ATOM 671 CB GLN A 42 -0.631 13.783 0.793 1.00 24.31 C ATOM 672 CG GLN A 42 -0.772 15.324 0.746 1.00 63.43 C ATOM 673 CD GLN A 42 -1.762 15.845 -0.306 1.00 12.20 C ATOM 674 OE1 GLN A 42 -2.767 15.205 -0.621 1.00 23.55 O ATOM 675 NE2 GLN A 42 -1.490 17.016 -0.851 1.00 12.42 N ATOM 0 H GLN A 42 -0.262 11.350 0.641 1.00 71.15 H new ATOM 0 HA GLN A 42 -0.589 13.383 -1.332 1.00 10.22 H new ATOM 0 HB2 GLN A 42 -1.621 13.351 0.941 1.00 24.31 H new ATOM 0 HB3 GLN A 42 -0.034 13.518 1.666 1.00 24.31 H new ATOM 0 HG2 GLN A 42 -1.087 15.677 1.728 1.00 63.43 H new ATOM 0 HG3 GLN A 42 0.208 15.759 0.550 1.00 63.43 H new ATOM 0 HE21 GLN A 42 -0.651 17.526 -0.573 1.00 12.42 H new ATOM 0 HE22 GLN A 42 -2.118 17.411 -1.550 1.00 12.42 H new ATOM 684 N THR A 43 2.372 13.112 0.123 1.00 64.25 N ATOM 685 CA THR A 43 3.805 13.448 0.076 1.00 22.54 C ATOM 686 C THR A 43 4.658 12.166 0.158 1.00 64.42 C ATOM 687 O THR A 43 4.196 11.135 0.672 1.00 61.03 O ATOM 688 CB THR A 43 4.181 14.444 1.230 1.00 50.01 C ATOM 689 OG1 THR A 43 5.598 14.688 1.255 1.00 34.45 O ATOM 690 CG2 THR A 43 3.726 13.954 2.615 1.00 2.53 C ATOM 0 H THR A 43 2.143 12.428 0.844 1.00 64.25 H new ATOM 0 HA THR A 43 4.014 13.940 -0.874 1.00 22.54 H new ATOM 0 HB THR A 43 3.649 15.370 1.014 1.00 50.01 H new ATOM 0 HG1 THR A 43 5.810 15.312 1.980 1.00 34.45 H new ATOM 0 HG21 THR A 43 4.014 14.684 3.372 1.00 2.53 H new ATOM 0 HG22 THR A 43 2.643 13.834 2.621 1.00 2.53 H new ATOM 0 HG23 THR A 43 4.199 12.997 2.836 1.00 2.53 H new ATOM 698 N GLU A 44 5.907 12.252 -0.356 1.00 50.43 N ATOM 699 CA GLU A 44 6.871 11.133 -0.342 1.00 12.44 C ATOM 700 C GLU A 44 7.301 10.779 1.097 1.00 3.31 C ATOM 701 O GLU A 44 7.701 9.643 1.363 1.00 1.10 O ATOM 702 CB GLU A 44 8.109 11.452 -1.220 1.00 0.24 C ATOM 703 CG GLU A 44 7.796 11.614 -2.724 1.00 33.35 C ATOM 704 CD GLU A 44 9.047 11.911 -3.569 1.00 2.41 C ATOM 705 OE1 GLU A 44 9.430 13.102 -3.689 1.00 53.41 O ATOM 706 OE2 GLU A 44 9.669 10.958 -4.087 1.00 64.22 O ATOM 0 H GLU A 44 6.272 13.099 -0.791 1.00 50.43 H new ATOM 0 HA GLU A 44 6.368 10.263 -0.765 1.00 12.44 H new ATOM 0 HB2 GLU A 44 8.571 12.370 -0.856 1.00 0.24 H new ATOM 0 HB3 GLU A 44 8.842 10.655 -1.097 1.00 0.24 H new ATOM 0 HG2 GLU A 44 7.324 10.703 -3.092 1.00 33.35 H new ATOM 0 HG3 GLU A 44 7.076 12.422 -2.855 1.00 33.35 H new ATOM 713 N LYS A 45 7.190 11.764 2.013 1.00 15.14 N ATOM 714 CA LYS A 45 7.467 11.578 3.452 1.00 50.30 C ATOM 715 C LYS A 45 6.395 10.694 4.110 1.00 35.31 C ATOM 716 O LYS A 45 6.696 9.928 5.035 1.00 71.23 O ATOM 717 CB LYS A 45 7.568 12.954 4.163 1.00 31.54 C ATOM 718 CG LYS A 45 8.745 13.812 3.657 1.00 42.42 C ATOM 719 CD LYS A 45 8.872 15.168 4.386 1.00 13.12 C ATOM 720 CE LYS A 45 10.119 15.957 3.943 1.00 71.11 C ATOM 721 NZ LYS A 45 10.124 16.239 2.482 1.00 61.04 N ATOM 0 H LYS A 45 6.905 12.714 1.774 1.00 15.14 H new ATOM 0 HA LYS A 45 8.424 11.067 3.555 1.00 50.30 H new ATOM 0 HB2 LYS A 45 6.637 13.502 4.015 1.00 31.54 H new ATOM 0 HB3 LYS A 45 7.677 12.795 5.236 1.00 31.54 H new ATOM 0 HG2 LYS A 45 9.672 13.253 3.781 1.00 42.42 H new ATOM 0 HG3 LYS A 45 8.621 13.992 2.589 1.00 42.42 H new ATOM 0 HD2 LYS A 45 7.980 15.765 4.195 1.00 13.12 H new ATOM 0 HD3 LYS A 45 8.917 14.997 5.462 1.00 13.12 H new ATOM 0 HE2 LYS A 45 10.164 16.898 4.492 1.00 71.11 H new ATOM 0 HE3 LYS A 45 11.014 15.393 4.204 1.00 71.11 H new ATOM 0 HZ1 LYS A 45 10.938 16.843 2.248 1.00 61.04 H new ATOM 0 HZ2 LYS A 45 10.194 15.345 1.956 1.00 61.04 H new ATOM 0 HZ3 LYS A 45 9.244 16.727 2.220 1.00 61.04 H new ATOM 735 N GLU A 46 5.153 10.792 3.614 1.00 44.32 N ATOM 736 CA GLU A 46 4.038 9.941 4.067 1.00 2.04 C ATOM 737 C GLU A 46 4.219 8.534 3.468 1.00 65.42 C ATOM 738 O GLU A 46 3.911 7.525 4.103 1.00 33.52 O ATOM 739 CB GLU A 46 2.665 10.549 3.635 1.00 64.41 C ATOM 740 CG GLU A 46 1.467 10.159 4.532 1.00 53.43 C ATOM 741 CD GLU A 46 1.545 10.772 5.948 1.00 63.52 C ATOM 742 OE1 GLU A 46 1.246 11.978 6.097 1.00 23.05 O ATOM 743 OE2 GLU A 46 1.921 10.070 6.912 1.00 13.12 O ATOM 0 H GLU A 46 4.891 11.461 2.890 1.00 44.32 H new ATOM 0 HA GLU A 46 4.043 9.882 5.155 1.00 2.04 H new ATOM 0 HB2 GLU A 46 2.753 11.635 3.624 1.00 64.41 H new ATOM 0 HB3 GLU A 46 2.451 10.236 2.613 1.00 64.41 H new ATOM 0 HG2 GLU A 46 0.542 10.482 4.053 1.00 53.43 H new ATOM 0 HG3 GLU A 46 1.421 9.073 4.615 1.00 53.43 H new ATOM 750 N ALA A 47 4.776 8.507 2.237 1.00 42.13 N ATOM 751 CA ALA A 47 5.036 7.281 1.475 1.00 61.33 C ATOM 752 C ALA A 47 6.157 6.429 2.097 1.00 20.51 C ATOM 753 O ALA A 47 6.239 5.239 1.805 1.00 44.30 O ATOM 754 CB ALA A 47 5.362 7.638 0.024 1.00 13.32 C ATOM 0 H ALA A 47 5.059 9.354 1.744 1.00 42.13 H new ATOM 0 HA ALA A 47 4.133 6.671 1.505 1.00 61.33 H new ATOM 0 HB1 ALA A 47 5.555 6.726 -0.541 1.00 13.32 H new ATOM 0 HB2 ALA A 47 4.518 8.167 -0.419 1.00 13.32 H new ATOM 0 HB3 ALA A 47 6.246 8.276 -0.004 1.00 13.32 H new ATOM 760 N GLU A 48 7.013 7.053 2.938 1.00 71.42 N ATOM 761 CA GLU A 48 8.042 6.334 3.724 1.00 42.15 C ATOM 762 C GLU A 48 7.387 5.388 4.750 1.00 72.22 C ATOM 763 O GLU A 48 7.896 4.299 5.037 1.00 75.32 O ATOM 764 CB GLU A 48 8.957 7.334 4.484 1.00 4.11 C ATOM 765 CG GLU A 48 9.744 8.324 3.604 1.00 53.34 C ATOM 766 CD GLU A 48 10.719 7.657 2.616 1.00 24.50 C ATOM 767 OE1 GLU A 48 11.652 6.954 3.071 1.00 34.13 O ATOM 768 OE2 GLU A 48 10.566 7.823 1.391 1.00 74.51 O ATOM 0 H GLU A 48 7.011 8.062 3.090 1.00 71.42 H new ATOM 0 HA GLU A 48 8.640 5.754 3.021 1.00 42.15 H new ATOM 0 HB2 GLU A 48 8.341 7.905 5.179 1.00 4.11 H new ATOM 0 HB3 GLU A 48 9.668 6.764 5.082 1.00 4.11 H new ATOM 0 HG2 GLU A 48 9.037 8.934 3.042 1.00 53.34 H new ATOM 0 HG3 GLU A 48 10.305 8.999 4.250 1.00 53.34 H new ATOM 775 N LYS A 49 6.273 5.850 5.323 1.00 32.02 N ATOM 776 CA LYS A 49 5.552 5.136 6.386 1.00 42.04 C ATOM 777 C LYS A 49 4.569 4.115 5.757 1.00 42.10 C ATOM 778 O LYS A 49 4.377 3.014 6.265 1.00 43.25 O ATOM 779 CB LYS A 49 4.765 6.165 7.229 1.00 4.03 C ATOM 780 CG LYS A 49 5.538 7.445 7.627 1.00 60.14 C ATOM 781 CD LYS A 49 4.570 8.538 8.135 1.00 43.33 C ATOM 782 CE LYS A 49 5.249 9.872 8.461 1.00 44.41 C ATOM 783 NZ LYS A 49 4.254 10.927 8.805 1.00 3.45 N ATOM 0 H LYS A 49 5.841 6.736 5.062 1.00 32.02 H new ATOM 0 HA LYS A 49 6.260 4.601 7.019 1.00 42.04 H new ATOM 0 HB2 LYS A 49 3.876 6.459 6.671 1.00 4.03 H new ATOM 0 HB3 LYS A 49 4.422 5.673 8.139 1.00 4.03 H new ATOM 0 HG2 LYS A 49 6.266 7.209 8.403 1.00 60.14 H new ATOM 0 HG3 LYS A 49 6.097 7.819 6.769 1.00 60.14 H new ATOM 0 HD2 LYS A 49 3.803 8.708 7.380 1.00 43.33 H new ATOM 0 HD3 LYS A 49 4.063 8.173 9.028 1.00 43.33 H new ATOM 0 HE2 LYS A 49 5.938 9.736 9.295 1.00 44.41 H new ATOM 0 HE3 LYS A 49 5.843 10.197 7.607 1.00 44.41 H new ATOM 0 HZ1 LYS A 49 4.653 11.863 8.592 1.00 3.45 H new ATOM 0 HZ2 LYS A 49 3.389 10.784 8.246 1.00 3.45 H new ATOM 0 HZ3 LYS A 49 4.025 10.871 9.818 1.00 3.45 H new ATOM 797 N MET A 50 3.874 4.604 4.715 1.00 40.45 N ATOM 798 CA MET A 50 2.954 3.802 3.882 1.00 72.41 C ATOM 799 C MET A 50 3.631 2.516 3.369 1.00 22.55 C ATOM 800 O MET A 50 3.082 1.422 3.539 1.00 64.31 O ATOM 801 CB MET A 50 2.387 4.644 2.710 1.00 13.24 C ATOM 802 CG MET A 50 1.375 5.713 3.132 1.00 71.11 C ATOM 803 SD MET A 50 0.721 6.619 1.718 1.00 51.41 S ATOM 804 CE MET A 50 -0.509 7.656 2.496 1.00 70.53 C ATOM 0 H MET A 50 3.935 5.579 4.422 1.00 40.45 H new ATOM 0 HA MET A 50 2.118 3.500 4.513 1.00 72.41 H new ATOM 0 HB2 MET A 50 3.215 5.129 2.193 1.00 13.24 H new ATOM 0 HB3 MET A 50 1.912 3.974 1.993 1.00 13.24 H new ATOM 0 HG2 MET A 50 0.554 5.242 3.672 1.00 71.11 H new ATOM 0 HG3 MET A 50 1.851 6.411 3.821 1.00 71.11 H new ATOM 0 HE1 MET A 50 -1.388 7.722 1.855 1.00 70.53 H new ATOM 0 HE2 MET A 50 -0.792 7.226 3.457 1.00 70.53 H new ATOM 0 HE3 MET A 50 -0.098 8.654 2.652 1.00 70.53 H new ATOM 814 N GLU A 51 4.807 2.663 2.721 1.00 61.15 N ATOM 815 CA GLU A 51 5.602 1.509 2.239 1.00 61.02 C ATOM 816 C GLU A 51 6.060 0.591 3.407 1.00 1.12 C ATOM 817 O GLU A 51 6.221 -0.614 3.218 1.00 2.21 O ATOM 818 CB GLU A 51 6.828 1.995 1.415 1.00 33.43 C ATOM 819 CG GLU A 51 7.960 2.619 2.246 1.00 11.21 C ATOM 820 CD GLU A 51 9.223 2.943 1.441 1.00 31.33 C ATOM 821 OE1 GLU A 51 9.978 2.000 1.107 1.00 75.45 O ATOM 822 OE2 GLU A 51 9.471 4.131 1.150 1.00 25.23 O ATOM 0 H GLU A 51 5.228 3.570 2.519 1.00 61.15 H new ATOM 0 HA GLU A 51 4.955 0.916 1.592 1.00 61.02 H new ATOM 0 HB2 GLU A 51 7.230 1.150 0.857 1.00 33.43 H new ATOM 0 HB3 GLU A 51 6.488 2.728 0.683 1.00 33.43 H new ATOM 0 HG2 GLU A 51 7.593 3.535 2.710 1.00 11.21 H new ATOM 0 HG3 GLU A 51 8.222 1.936 3.054 1.00 11.21 H new ATOM 829 N LYS A 52 6.268 1.190 4.605 1.00 4.12 N ATOM 830 CA LYS A 52 6.645 0.460 5.836 1.00 30.02 C ATOM 831 C LYS A 52 5.464 -0.409 6.308 1.00 44.20 C ATOM 832 O LYS A 52 5.654 -1.538 6.762 1.00 3.11 O ATOM 833 CB LYS A 52 7.068 1.464 6.948 1.00 1.22 C ATOM 834 CG LYS A 52 7.577 0.835 8.271 1.00 51.34 C ATOM 835 CD LYS A 52 8.900 0.051 8.089 1.00 71.05 C ATOM 836 CE LYS A 52 9.472 -0.498 9.408 1.00 55.33 C ATOM 837 NZ LYS A 52 10.805 -1.124 9.186 1.00 43.42 N ATOM 0 H LYS A 52 6.178 2.197 4.743 1.00 4.12 H new ATOM 0 HA LYS A 52 7.494 -0.190 5.622 1.00 30.02 H new ATOM 0 HB2 LYS A 52 7.852 2.108 6.550 1.00 1.22 H new ATOM 0 HB3 LYS A 52 6.215 2.103 7.177 1.00 1.22 H new ATOM 0 HG2 LYS A 52 7.725 1.623 9.010 1.00 51.34 H new ATOM 0 HG3 LYS A 52 6.814 0.165 8.667 1.00 51.34 H new ATOM 0 HD2 LYS A 52 8.731 -0.778 7.402 1.00 71.05 H new ATOM 0 HD3 LYS A 52 9.639 0.704 7.625 1.00 71.05 H new ATOM 0 HE2 LYS A 52 9.561 0.309 10.135 1.00 55.33 H new ATOM 0 HE3 LYS A 52 8.786 -1.233 9.829 1.00 55.33 H new ATOM 0 HZ1 LYS A 52 11.172 -1.488 10.088 1.00 43.42 H new ATOM 0 HZ2 LYS A 52 10.712 -1.908 8.509 1.00 43.42 H new ATOM 0 HZ3 LYS A 52 11.463 -0.414 8.805 1.00 43.42 H new ATOM 851 N ALA A 53 4.251 0.145 6.167 1.00 51.40 N ATOM 852 CA ALA A 53 2.996 -0.524 6.527 1.00 63.54 C ATOM 853 C ALA A 53 2.718 -1.713 5.586 1.00 62.14 C ATOM 854 O ALA A 53 2.211 -2.755 6.014 1.00 51.22 O ATOM 855 CB ALA A 53 1.856 0.498 6.501 1.00 2.51 C ATOM 0 H ALA A 53 4.114 1.084 5.794 1.00 51.40 H new ATOM 0 HA ALA A 53 3.076 -0.931 7.535 1.00 63.54 H new ATOM 0 HB1 ALA A 53 0.920 0.006 6.768 1.00 2.51 H new ATOM 0 HB2 ALA A 53 2.064 1.294 7.216 1.00 2.51 H new ATOM 0 HB3 ALA A 53 1.770 0.922 5.501 1.00 2.51 H new ATOM 861 N VAL A 54 3.050 -1.532 4.299 1.00 50.33 N ATOM 862 CA VAL A 54 3.038 -2.607 3.294 1.00 32.23 C ATOM 863 C VAL A 54 4.000 -3.760 3.696 1.00 64.40 C ATOM 864 O VAL A 54 3.623 -4.933 3.622 1.00 14.43 O ATOM 865 CB VAL A 54 3.416 -2.015 1.884 1.00 43.44 C ATOM 866 CG1 VAL A 54 3.590 -3.109 0.813 1.00 71.21 C ATOM 867 CG2 VAL A 54 2.360 -0.974 1.438 1.00 44.14 C ATOM 0 H VAL A 54 3.337 -0.628 3.923 1.00 50.33 H new ATOM 0 HA VAL A 54 2.034 -3.029 3.240 1.00 32.23 H new ATOM 0 HB VAL A 54 4.382 -1.521 1.989 1.00 43.44 H new ATOM 0 HG11 VAL A 54 3.850 -2.647 -0.140 1.00 71.21 H new ATOM 0 HG12 VAL A 54 4.385 -3.791 1.115 1.00 71.21 H new ATOM 0 HG13 VAL A 54 2.658 -3.664 0.705 1.00 71.21 H new ATOM 0 HG21 VAL A 54 2.634 -0.573 0.462 1.00 44.14 H new ATOM 0 HG22 VAL A 54 1.383 -1.452 1.373 1.00 44.14 H new ATOM 0 HG23 VAL A 54 2.319 -0.163 2.165 1.00 44.14 H new ATOM 877 N LYS A 55 5.238 -3.398 4.117 1.00 62.30 N ATOM 878 CA LYS A 55 6.254 -4.364 4.630 1.00 3.23 C ATOM 879 C LYS A 55 5.709 -5.218 5.800 1.00 75.32 C ATOM 880 O LYS A 55 6.064 -6.398 5.922 1.00 23.51 O ATOM 881 CB LYS A 55 7.549 -3.629 5.079 1.00 64.35 C ATOM 882 CG LYS A 55 8.317 -2.921 3.941 1.00 4.24 C ATOM 883 CD LYS A 55 9.515 -2.098 4.470 1.00 12.23 C ATOM 884 CE LYS A 55 10.289 -1.383 3.355 1.00 3.54 C ATOM 885 NZ LYS A 55 9.444 -0.387 2.642 1.00 51.44 N ATOM 0 H LYS A 55 5.564 -2.431 4.112 1.00 62.30 H new ATOM 0 HA LYS A 55 6.490 -5.034 3.803 1.00 3.23 H new ATOM 0 HB2 LYS A 55 7.287 -2.890 5.837 1.00 64.35 H new ATOM 0 HB3 LYS A 55 8.214 -4.350 5.554 1.00 64.35 H new ATOM 0 HG2 LYS A 55 8.675 -3.665 3.229 1.00 4.24 H new ATOM 0 HG3 LYS A 55 7.637 -2.263 3.400 1.00 4.24 H new ATOM 0 HD2 LYS A 55 9.154 -1.359 5.185 1.00 12.23 H new ATOM 0 HD3 LYS A 55 10.193 -2.759 5.009 1.00 12.23 H new ATOM 0 HE2 LYS A 55 11.159 -0.882 3.781 1.00 3.54 H new ATOM 0 HE3 LYS A 55 10.662 -2.119 2.643 1.00 3.54 H new ATOM 0 HZ1 LYS A 55 10.019 0.444 2.396 1.00 51.44 H new ATOM 0 HZ2 LYS A 55 9.063 -0.813 1.773 1.00 51.44 H new ATOM 0 HZ3 LYS A 55 8.658 -0.094 3.257 1.00 51.44 H new ATOM 899 N LYS A 56 4.843 -4.609 6.646 1.00 15.11 N ATOM 900 CA LYS A 56 4.211 -5.289 7.808 1.00 34.54 C ATOM 901 C LYS A 56 3.308 -6.456 7.349 1.00 25.30 C ATOM 902 O LYS A 56 3.203 -7.484 8.032 1.00 24.44 O ATOM 903 CB LYS A 56 3.386 -4.272 8.649 1.00 51.24 C ATOM 904 CG LYS A 56 4.216 -3.092 9.218 1.00 11.45 C ATOM 905 CD LYS A 56 3.362 -2.065 9.994 1.00 3.14 C ATOM 906 CE LYS A 56 2.658 -2.674 11.217 1.00 35.32 C ATOM 907 NZ LYS A 56 3.616 -3.325 12.154 1.00 63.11 N ATOM 0 H LYS A 56 4.562 -3.634 6.544 1.00 15.11 H new ATOM 0 HA LYS A 56 5.007 -5.699 8.429 1.00 34.54 H new ATOM 0 HB2 LYS A 56 2.584 -3.871 8.029 1.00 51.24 H new ATOM 0 HB3 LYS A 56 2.914 -4.801 9.477 1.00 51.24 H new ATOM 0 HG2 LYS A 56 4.989 -3.485 9.879 1.00 11.45 H new ATOM 0 HG3 LYS A 56 4.725 -2.586 8.398 1.00 11.45 H new ATOM 0 HD2 LYS A 56 3.999 -1.243 10.320 1.00 3.14 H new ATOM 0 HD3 LYS A 56 2.614 -1.642 9.324 1.00 3.14 H new ATOM 0 HE2 LYS A 56 2.111 -1.893 11.745 1.00 35.32 H new ATOM 0 HE3 LYS A 56 1.924 -3.408 10.883 1.00 35.32 H new ATOM 0 HZ1 LYS A 56 3.117 -3.601 13.024 1.00 63.11 H new ATOM 0 HZ2 LYS A 56 4.021 -4.171 11.704 1.00 63.11 H new ATOM 0 HZ3 LYS A 56 4.379 -2.659 12.389 1.00 63.11 H new ATOM 921 N VAL A 57 2.663 -6.271 6.187 1.00 52.22 N ATOM 922 CA VAL A 57 1.817 -7.288 5.534 1.00 64.50 C ATOM 923 C VAL A 57 2.678 -8.296 4.739 1.00 30.13 C ATOM 924 O VAL A 57 2.427 -9.507 4.771 1.00 54.24 O ATOM 925 CB VAL A 57 0.799 -6.598 4.554 1.00 3.33 C ATOM 926 CG1 VAL A 57 -0.049 -7.633 3.780 1.00 4.53 C ATOM 927 CG2 VAL A 57 -0.095 -5.584 5.299 1.00 73.52 C ATOM 0 H VAL A 57 2.714 -5.397 5.664 1.00 52.22 H new ATOM 0 HA VAL A 57 1.275 -7.822 6.314 1.00 64.50 H new ATOM 0 HB VAL A 57 1.384 -6.048 3.817 1.00 3.33 H new ATOM 0 HG11 VAL A 57 -0.739 -7.114 3.115 1.00 4.53 H new ATOM 0 HG12 VAL A 57 0.607 -8.275 3.193 1.00 4.53 H new ATOM 0 HG13 VAL A 57 -0.615 -8.241 4.486 1.00 4.53 H new ATOM 0 HG21 VAL A 57 -0.788 -5.124 4.595 1.00 73.52 H new ATOM 0 HG22 VAL A 57 -0.658 -6.099 6.078 1.00 73.52 H new ATOM 0 HG23 VAL A 57 0.528 -4.813 5.751 1.00 73.52 H new ATOM 937 N LYS A 58 3.726 -7.775 4.083 1.00 45.13 N ATOM 938 CA LYS A 58 4.488 -8.516 3.067 1.00 64.25 C ATOM 939 C LYS A 58 5.966 -8.035 3.063 1.00 2.34 C ATOM 940 O LYS A 58 6.275 -6.965 2.522 1.00 73.05 O ATOM 941 CB LYS A 58 3.807 -8.404 1.659 1.00 12.21 C ATOM 942 CG LYS A 58 3.503 -6.974 1.146 1.00 43.02 C ATOM 943 CD LYS A 58 2.698 -6.922 -0.187 1.00 0.11 C ATOM 944 CE LYS A 58 3.495 -7.315 -1.447 1.00 3.05 C ATOM 945 NZ LYS A 58 3.954 -8.737 -1.458 1.00 12.13 N ATOM 0 H LYS A 58 4.069 -6.828 4.242 1.00 45.13 H new ATOM 0 HA LYS A 58 4.490 -9.577 3.318 1.00 64.25 H new ATOM 0 HB2 LYS A 58 4.449 -8.898 0.930 1.00 12.21 H new ATOM 0 HB3 LYS A 58 2.871 -8.961 1.688 1.00 12.21 H new ATOM 0 HG2 LYS A 58 2.945 -6.438 1.914 1.00 43.02 H new ATOM 0 HG3 LYS A 58 4.445 -6.444 1.007 1.00 43.02 H new ATOM 0 HD2 LYS A 58 1.837 -7.584 -0.099 1.00 0.11 H new ATOM 0 HD3 LYS A 58 2.311 -5.912 -0.321 1.00 0.11 H new ATOM 0 HE2 LYS A 58 2.876 -7.137 -2.326 1.00 3.05 H new ATOM 0 HE3 LYS A 58 4.364 -6.663 -1.532 1.00 3.05 H new ATOM 0 HZ1 LYS A 58 3.693 -9.179 -2.362 1.00 12.13 H new ATOM 0 HZ2 LYS A 58 4.987 -8.769 -1.342 1.00 12.13 H new ATOM 0 HZ3 LYS A 58 3.502 -9.254 -0.677 1.00 12.13 H new ATOM 959 N PRO A 59 6.907 -8.804 3.713 1.00 24.31 N ATOM 960 CA PRO A 59 8.355 -8.438 3.785 1.00 72.11 C ATOM 961 C PRO A 59 9.051 -8.426 2.407 1.00 51.40 C ATOM 962 O PRO A 59 10.111 -7.817 2.248 1.00 11.32 O ATOM 963 CB PRO A 59 8.968 -9.524 4.721 1.00 24.02 C ATOM 964 CG PRO A 59 7.789 -10.133 5.433 1.00 62.14 C ATOM 965 CD PRO A 59 6.645 -10.072 4.446 1.00 41.20 C ATOM 0 HA PRO A 59 8.490 -7.422 4.156 1.00 72.11 H new ATOM 0 HB2 PRO A 59 9.515 -10.274 4.150 1.00 24.02 H new ATOM 0 HB3 PRO A 59 9.672 -9.085 5.427 1.00 24.02 H new ATOM 0 HG2 PRO A 59 7.998 -11.161 5.729 1.00 62.14 H new ATOM 0 HG3 PRO A 59 7.552 -9.581 6.343 1.00 62.14 H new ATOM 0 HD2 PRO A 59 6.642 -10.932 3.777 1.00 41.20 H new ATOM 0 HD3 PRO A 59 5.678 -10.056 4.949 1.00 41.20 H new ATOM 973 N ASN A 60 8.440 -9.106 1.422 1.00 41.02 N ATOM 974 CA ASN A 60 8.963 -9.202 0.037 1.00 52.35 C ATOM 975 C ASN A 60 8.277 -8.176 -0.892 1.00 45.22 C ATOM 976 O ASN A 60 8.254 -8.353 -2.121 1.00 73.22 O ATOM 977 CB ASN A 60 8.751 -10.644 -0.492 1.00 14.01 C ATOM 978 CG ASN A 60 9.478 -11.695 0.347 1.00 3.13 C ATOM 979 OD1 ASN A 60 8.928 -12.201 1.326 1.00 31.23 O ATOM 980 ND2 ASN A 60 10.716 -12.022 -0.008 1.00 13.33 N ATOM 0 H ASN A 60 7.564 -9.610 1.559 1.00 41.02 H new ATOM 0 HA ASN A 60 10.028 -8.972 0.047 1.00 52.35 H new ATOM 0 HB2 ASN A 60 7.685 -10.869 -0.504 1.00 14.01 H new ATOM 0 HB3 ASN A 60 9.100 -10.703 -1.523 1.00 14.01 H new ATOM 0 HD21 ASN A 60 11.238 -12.710 0.536 1.00 13.33 H new ATOM 0 HD22 ASN A 60 11.145 -11.585 -0.824 1.00 13.33 H new ATOM 987 N ALA A 61 7.720 -7.101 -0.285 1.00 70.22 N ATOM 988 CA ALA A 61 7.061 -6.000 -1.002 1.00 71.52 C ATOM 989 C ALA A 61 7.969 -5.356 -2.078 1.00 71.13 C ATOM 990 O ALA A 61 8.999 -4.746 -1.754 1.00 51.42 O ATOM 991 CB ALA A 61 6.604 -4.932 0.012 1.00 2.31 C ATOM 0 H ALA A 61 7.719 -6.979 0.728 1.00 70.22 H new ATOM 0 HA ALA A 61 6.202 -6.418 -1.526 1.00 71.52 H new ATOM 0 HB1 ALA A 61 6.115 -4.114 -0.517 1.00 2.31 H new ATOM 0 HB2 ALA A 61 5.904 -5.377 0.719 1.00 2.31 H new ATOM 0 HB3 ALA A 61 7.470 -4.549 0.552 1.00 2.31 H new ATOM 997 N THR A 62 7.572 -5.507 -3.353 1.00 43.21 N ATOM 998 CA THR A 62 8.190 -4.808 -4.485 1.00 14.11 C ATOM 999 C THR A 62 7.356 -3.539 -4.760 1.00 64.11 C ATOM 1000 O THR A 62 6.283 -3.593 -5.390 1.00 23.11 O ATOM 1001 CB THR A 62 8.254 -5.746 -5.733 1.00 44.34 C ATOM 1002 OG1 THR A 62 8.876 -6.994 -5.361 1.00 64.13 O ATOM 1003 CG2 THR A 62 9.040 -5.114 -6.897 1.00 15.33 C ATOM 0 H THR A 62 6.807 -6.124 -3.626 1.00 43.21 H new ATOM 0 HA THR A 62 9.217 -4.524 -4.256 1.00 14.11 H new ATOM 0 HB THR A 62 7.232 -5.912 -6.074 1.00 44.34 H new ATOM 0 HG1 THR A 62 8.916 -7.585 -6.142 1.00 64.13 H new ATOM 0 HG21 THR A 62 9.057 -5.803 -7.741 1.00 15.33 H new ATOM 0 HG22 THR A 62 8.559 -4.183 -7.198 1.00 15.33 H new ATOM 0 HG23 THR A 62 10.061 -4.907 -6.577 1.00 15.33 H new ATOM 1011 N ILE A 63 7.855 -2.416 -4.251 1.00 70.52 N ATOM 1012 CA ILE A 63 7.133 -1.136 -4.186 1.00 53.13 C ATOM 1013 C ILE A 63 7.662 -0.198 -5.268 1.00 45.12 C ATOM 1014 O ILE A 63 8.873 0.017 -5.370 1.00 44.25 O ATOM 1015 CB ILE A 63 7.287 -0.504 -2.744 1.00 44.10 C ATOM 1016 CG1 ILE A 63 6.711 -1.496 -1.682 1.00 42.42 C ATOM 1017 CG2 ILE A 63 6.615 0.896 -2.645 1.00 43.34 C ATOM 1018 CD1 ILE A 63 6.988 -1.153 -0.237 1.00 45.22 C ATOM 0 H ILE A 63 8.796 -2.363 -3.861 1.00 70.52 H new ATOM 0 HA ILE A 63 6.071 -1.299 -4.366 1.00 53.13 H new ATOM 0 HB ILE A 63 8.347 -0.345 -2.545 1.00 44.10 H new ATOM 0 HG12 ILE A 63 5.631 -1.558 -1.820 1.00 42.42 H new ATOM 0 HG13 ILE A 63 7.115 -2.488 -1.883 1.00 42.42 H new ATOM 0 HG21 ILE A 63 6.745 1.292 -1.638 1.00 43.34 H new ATOM 0 HG22 ILE A 63 7.077 1.573 -3.364 1.00 43.34 H new ATOM 0 HG23 ILE A 63 5.551 0.805 -2.864 1.00 43.34 H new ATOM 0 HD11 ILE A 63 6.542 -1.909 0.409 1.00 45.22 H new ATOM 0 HD12 ILE A 63 8.065 -1.123 -0.070 1.00 45.22 H new ATOM 0 HD13 ILE A 63 6.558 -0.179 -0.005 1.00 45.22 H new ATOM 1030 N ARG A 64 6.751 0.323 -6.100 1.00 22.11 N ATOM 1031 CA ARG A 64 7.074 1.321 -7.123 1.00 25.25 C ATOM 1032 C ARG A 64 6.609 2.685 -6.617 1.00 44.10 C ATOM 1033 O ARG A 64 5.412 2.898 -6.407 1.00 50.04 O ATOM 1034 CB ARG A 64 6.413 0.966 -8.479 1.00 24.41 C ATOM 1035 CG ARG A 64 6.887 -0.374 -9.079 1.00 21.13 C ATOM 1036 CD ARG A 64 8.402 -0.419 -9.383 1.00 14.15 C ATOM 1037 NE ARG A 64 8.828 -1.756 -9.830 1.00 72.13 N ATOM 1038 CZ ARG A 64 10.019 -2.053 -10.379 1.00 73.42 C ATOM 1039 NH1 ARG A 64 10.945 -1.108 -10.573 1.00 71.52 N ATOM 1040 NH2 ARG A 64 10.284 -3.306 -10.734 1.00 43.13 N ATOM 0 H ARG A 64 5.765 0.062 -6.081 1.00 22.11 H new ATOM 0 HA ARG A 64 8.150 1.340 -7.298 1.00 25.25 H new ATOM 0 HB2 ARG A 64 5.332 0.930 -8.346 1.00 24.41 H new ATOM 0 HB3 ARG A 64 6.620 1.764 -9.192 1.00 24.41 H new ATOM 0 HG2 ARG A 64 6.641 -1.179 -8.387 1.00 21.13 H new ATOM 0 HG3 ARG A 64 6.335 -0.565 -9.999 1.00 21.13 H new ATOM 0 HD2 ARG A 64 8.641 0.315 -10.152 1.00 14.15 H new ATOM 0 HD3 ARG A 64 8.961 -0.138 -8.490 1.00 14.15 H new ATOM 0 HE ARG A 64 8.164 -2.521 -9.713 1.00 72.13 H new ATOM 0 HH11 ARG A 64 10.753 -0.143 -10.303 1.00 71.52 H new ATOM 0 HH12 ARG A 64 11.843 -1.352 -10.991 1.00 71.52 H new ATOM 0 HH21 ARG A 64 9.586 -4.036 -10.589 1.00 43.13 H new ATOM 0 HH22 ARG A 64 11.185 -3.538 -11.151 1.00 43.13 H new ATOM 1054 N LYS A 65 7.565 3.584 -6.380 1.00 24.33 N ATOM 1055 CA LYS A 65 7.299 4.947 -5.916 1.00 2.34 C ATOM 1056 C LYS A 65 7.651 5.937 -7.026 1.00 43.24 C ATOM 1057 O LYS A 65 8.816 6.043 -7.433 1.00 14.43 O ATOM 1058 CB LYS A 65 8.107 5.262 -4.631 1.00 72.11 C ATOM 1059 CG LYS A 65 7.903 6.703 -4.091 1.00 42.15 C ATOM 1060 CD LYS A 65 8.711 6.984 -2.808 1.00 74.02 C ATOM 1061 CE LYS A 65 8.296 6.095 -1.623 1.00 3.54 C ATOM 1062 NZ LYS A 65 9.082 6.402 -0.401 1.00 11.33 N ATOM 0 H LYS A 65 8.557 3.384 -6.506 1.00 24.33 H new ATOM 0 HA LYS A 65 6.240 5.038 -5.673 1.00 2.34 H new ATOM 0 HB2 LYS A 65 7.825 4.551 -3.854 1.00 72.11 H new ATOM 0 HB3 LYS A 65 9.167 5.108 -4.834 1.00 72.11 H new ATOM 0 HG2 LYS A 65 8.193 7.418 -4.861 1.00 42.15 H new ATOM 0 HG3 LYS A 65 6.844 6.863 -3.890 1.00 42.15 H new ATOM 0 HD2 LYS A 65 9.771 6.833 -3.013 1.00 74.02 H new ATOM 0 HD3 LYS A 65 8.586 8.031 -2.530 1.00 74.02 H new ATOM 0 HE2 LYS A 65 7.235 6.236 -1.417 1.00 3.54 H new ATOM 0 HE3 LYS A 65 8.433 5.047 -1.889 1.00 3.54 H new ATOM 0 HZ1 LYS A 65 9.363 5.515 0.063 1.00 11.33 H new ATOM 0 HZ2 LYS A 65 9.933 6.941 -0.662 1.00 11.33 H new ATOM 0 HZ3 LYS A 65 8.502 6.966 0.252 1.00 11.33 H new ATOM 1076 N THR A 66 6.639 6.643 -7.521 1.00 61.43 N ATOM 1077 CA THR A 66 6.808 7.748 -8.469 1.00 1.31 C ATOM 1078 C THR A 66 6.836 9.077 -7.685 1.00 12.34 C ATOM 1079 O THR A 66 6.616 9.091 -6.469 1.00 15.54 O ATOM 1080 CB THR A 66 5.668 7.728 -9.535 1.00 24.41 C ATOM 1081 OG1 THR A 66 4.405 7.570 -8.878 1.00 33.32 O ATOM 1082 CG2 THR A 66 5.852 6.602 -10.568 1.00 73.50 C ATOM 0 H THR A 66 5.665 6.465 -7.274 1.00 61.43 H new ATOM 0 HA THR A 66 7.750 7.640 -9.006 1.00 1.31 H new ATOM 0 HB THR A 66 5.704 8.675 -10.073 1.00 24.41 H new ATOM 0 HG1 THR A 66 3.749 8.178 -9.279 1.00 33.32 H new ATOM 0 HG21 THR A 66 5.034 6.631 -11.287 1.00 73.50 H new ATOM 0 HG22 THR A 66 6.799 6.739 -11.090 1.00 73.50 H new ATOM 0 HG23 THR A 66 5.854 5.638 -10.059 1.00 73.50 H new ATOM 1090 N GLY A 67 7.119 10.188 -8.376 1.00 73.43 N ATOM 1091 CA GLY A 67 7.251 11.502 -7.739 1.00 71.52 C ATOM 1092 C GLY A 67 8.685 11.992 -7.780 1.00 23.34 C ATOM 1093 O GLY A 67 8.953 13.110 -8.222 1.00 63.55 O ATOM 0 H GLY A 67 7.262 10.201 -9.386 1.00 73.43 H new ATOM 0 HA2 GLY A 67 6.605 12.220 -8.244 1.00 71.52 H new ATOM 0 HA3 GLY A 67 6.914 11.442 -6.704 1.00 71.52 H new ATOM 1097 N GLY A 68 9.619 11.144 -7.315 1.00 74.33 N ATOM 1098 CA GLY A 68 11.048 11.457 -7.334 1.00 71.53 C ATOM 1099 C GLY A 68 11.777 10.749 -8.461 1.00 34.54 C ATOM 1100 O GLY A 68 12.842 10.157 -8.244 1.00 1.31 O ATOM 0 H GLY A 68 9.401 10.230 -6.919 1.00 74.33 H new ATOM 0 HA2 GLY A 68 11.181 12.534 -7.438 1.00 71.53 H new ATOM 0 HA3 GLY A 68 11.493 11.172 -6.381 1.00 71.53 H new ATOM 1104 N SER A 69 11.204 10.814 -9.675 1.00 44.41 N ATOM 1105 CA SER A 69 11.768 10.158 -10.874 1.00 22.34 C ATOM 1106 C SER A 69 12.797 11.078 -11.579 1.00 54.02 C ATOM 1107 O SER A 69 13.059 12.199 -11.119 1.00 25.21 O ATOM 1108 CB SER A 69 10.615 9.783 -11.833 1.00 53.04 C ATOM 1109 OG SER A 69 9.870 10.933 -12.199 1.00 13.12 O ATOM 0 H SER A 69 10.338 11.321 -9.856 1.00 44.41 H new ATOM 0 HA SER A 69 12.296 9.253 -10.573 1.00 22.34 H new ATOM 0 HB2 SER A 69 11.019 9.307 -12.726 1.00 53.04 H new ATOM 0 HB3 SER A 69 9.959 9.057 -11.354 1.00 53.04 H new ATOM 0 HG SER A 69 9.147 10.674 -12.807 1.00 13.12 H new ATOM 1115 N LEU A 70 13.400 10.576 -12.677 1.00 72.04 N ATOM 1116 CA LEU A 70 14.288 11.373 -13.544 1.00 70.01 C ATOM 1117 C LEU A 70 13.438 12.098 -14.597 1.00 51.11 C ATOM 1118 O LEU A 70 12.589 11.470 -15.252 1.00 61.43 O ATOM 1119 CB LEU A 70 15.366 10.485 -14.249 1.00 12.42 C ATOM 1120 CG LEU A 70 16.486 9.847 -13.352 1.00 25.21 C ATOM 1121 CD1 LEU A 70 17.203 10.916 -12.505 1.00 54.44 C ATOM 1122 CD2 LEU A 70 15.952 8.686 -12.476 1.00 0.24 C ATOM 0 H LEU A 70 13.285 9.611 -12.985 1.00 72.04 H new ATOM 0 HA LEU A 70 14.817 12.094 -12.921 1.00 70.01 H new ATOM 0 HB2 LEU A 70 14.849 9.676 -14.766 1.00 12.42 H new ATOM 0 HB3 LEU A 70 15.853 11.091 -15.013 1.00 12.42 H new ATOM 0 HG LEU A 70 17.222 9.411 -14.028 1.00 25.21 H new ATOM 0 HD11 LEU A 70 17.972 10.442 -11.896 1.00 54.44 H new ATOM 0 HD12 LEU A 70 17.664 11.652 -13.163 1.00 54.44 H new ATOM 0 HD13 LEU A 70 16.480 11.411 -11.856 1.00 54.44 H new ATOM 0 HD21 LEU A 70 16.766 8.280 -11.875 1.00 0.24 H new ATOM 0 HD22 LEU A 70 15.166 9.058 -11.819 1.00 0.24 H new ATOM 0 HD23 LEU A 70 15.548 7.903 -13.117 1.00 0.24 H new ATOM 1134 N GLU A 71 13.679 13.411 -14.750 1.00 51.34 N ATOM 1135 CA GLU A 71 13.000 14.249 -15.742 1.00 34.33 C ATOM 1136 C GLU A 71 13.412 13.770 -17.153 1.00 41.33 C ATOM 1137 O GLU A 71 14.600 13.809 -17.509 1.00 2.11 O ATOM 1138 CB GLU A 71 13.364 15.755 -15.526 1.00 70.11 C ATOM 1139 CG GLU A 71 12.321 16.791 -16.045 1.00 1.44 C ATOM 1140 CD GLU A 71 11.986 16.696 -17.553 1.00 43.14 C ATOM 1141 OE1 GLU A 71 12.895 16.880 -18.393 1.00 15.03 O ATOM 1142 OE2 GLU A 71 10.812 16.440 -17.896 1.00 44.53 O ATOM 0 H GLU A 71 14.356 13.921 -14.183 1.00 51.34 H new ATOM 0 HA GLU A 71 11.919 14.158 -15.632 1.00 34.33 H new ATOM 0 HB2 GLU A 71 13.514 15.923 -14.459 1.00 70.11 H new ATOM 0 HB3 GLU A 71 14.317 15.952 -16.016 1.00 70.11 H new ATOM 0 HG2 GLU A 71 11.399 16.669 -15.477 1.00 1.44 H new ATOM 0 HG3 GLU A 71 12.694 17.793 -15.835 1.00 1.44 H new ATOM 1149 N HIS A 72 12.415 13.322 -17.928 1.00 44.14 N ATOM 1150 CA HIS A 72 12.621 12.731 -19.253 1.00 24.54 C ATOM 1151 C HIS A 72 12.935 13.818 -20.292 1.00 44.03 C ATOM 1152 O HIS A 72 12.034 14.413 -20.890 1.00 63.14 O ATOM 1153 CB HIS A 72 11.400 11.870 -19.672 1.00 15.31 C ATOM 1154 CG HIS A 72 11.098 10.764 -18.692 1.00 52.50 C ATOM 1155 ND1 HIS A 72 10.228 10.923 -17.633 1.00 73.33 N ATOM 1156 CD2 HIS A 72 11.564 9.495 -18.596 1.00 43.32 C ATOM 1157 CE1 HIS A 72 10.178 9.814 -16.929 1.00 11.05 C ATOM 1158 NE2 HIS A 72 10.976 8.932 -17.496 1.00 45.23 N ATOM 0 H HIS A 72 11.435 13.361 -17.648 1.00 44.14 H new ATOM 0 HA HIS A 72 13.484 12.067 -19.203 1.00 24.54 H new ATOM 0 HB2 HIS A 72 10.525 12.512 -19.768 1.00 15.31 H new ATOM 0 HB3 HIS A 72 11.587 11.437 -20.655 1.00 15.31 H new ATOM 0 HD2 HIS A 72 12.267 9.018 -19.262 1.00 43.32 H new ATOM 0 HE1 HIS A 72 9.586 9.654 -16.040 1.00 11.05 H new ATOM 0 HE2 HIS A 72 11.131 7.979 -17.167 1.00 45.23 H new ATOM 1167 N HIS A 73 14.238 14.104 -20.440 1.00 44.13 N ATOM 1168 CA HIS A 73 14.761 15.007 -21.479 1.00 33.21 C ATOM 1169 C HIS A 73 14.892 14.238 -22.798 1.00 71.20 C ATOM 1170 O HIS A 73 14.544 14.752 -23.865 1.00 32.23 O ATOM 1171 CB HIS A 73 16.135 15.590 -21.059 1.00 41.51 C ATOM 1172 CG HIS A 73 16.078 16.528 -19.880 1.00 1.20 C ATOM 1173 ND1 HIS A 73 16.118 16.102 -18.571 1.00 21.12 N ATOM 1174 CD2 HIS A 73 16.004 17.882 -19.826 1.00 21.43 C ATOM 1175 CE1 HIS A 73 16.075 17.143 -17.768 1.00 73.31 C ATOM 1176 NE2 HIS A 73 16.004 18.231 -18.502 1.00 71.53 N ATOM 0 H HIS A 73 14.963 13.713 -19.839 1.00 44.13 H new ATOM 0 HA HIS A 73 14.068 15.838 -21.609 1.00 33.21 H new ATOM 0 HB2 HIS A 73 16.808 14.767 -20.821 1.00 41.51 H new ATOM 0 HB3 HIS A 73 16.567 16.119 -21.909 1.00 41.51 H new ATOM 0 HD1 HIS A 73 16.173 15.129 -18.270 1.00 21.12 H new ATOM 0 HD2 HIS A 73 15.954 18.557 -20.668 1.00 21.43 H new ATOM 0 HE1 HIS A 73 16.095 17.109 -16.689 1.00 73.31 H new ATOM 1185 N HIS A 74 15.396 12.992 -22.695 1.00 50.15 N ATOM 1186 CA HIS A 74 15.588 12.086 -23.842 1.00 1.01 C ATOM 1187 C HIS A 74 14.224 11.629 -24.394 1.00 52.01 C ATOM 1188 O HIS A 74 13.603 10.701 -23.864 1.00 21.31 O ATOM 1189 CB HIS A 74 16.460 10.859 -23.433 1.00 20.11 C ATOM 1190 CG HIS A 74 17.885 11.200 -23.063 1.00 64.41 C ATOM 1191 ND1 HIS A 74 18.948 11.044 -23.934 1.00 42.04 N ATOM 1192 CD2 HIS A 74 18.421 11.692 -21.920 1.00 3.24 C ATOM 1193 CE1 HIS A 74 20.061 11.431 -23.343 1.00 23.11 C ATOM 1194 NE2 HIS A 74 19.767 11.825 -22.125 1.00 41.23 N ATOM 0 H HIS A 74 15.683 12.584 -21.805 1.00 50.15 H new ATOM 0 HA HIS A 74 16.114 12.627 -24.629 1.00 1.01 H new ATOM 0 HB2 HIS A 74 15.988 10.359 -22.587 1.00 20.11 H new ATOM 0 HB3 HIS A 74 16.472 10.147 -24.258 1.00 20.11 H new ATOM 0 HD2 HIS A 74 17.885 11.934 -21.014 1.00 3.24 H new ATOM 0 HE1 HIS A 74 21.046 11.425 -23.785 1.00 23.11 H new ATOM 0 HE2 HIS A 74 20.437 12.175 -21.440 1.00 41.23 H new ATOM 1203 N HIS A 75 13.746 12.341 -25.423 1.00 14.31 N ATOM 1204 CA HIS A 75 12.474 12.039 -26.110 1.00 50.01 C ATOM 1205 C HIS A 75 12.736 11.194 -27.371 1.00 50.10 C ATOM 1206 O HIS A 75 13.896 10.980 -27.754 1.00 50.54 O ATOM 1207 CB HIS A 75 11.730 13.361 -26.455 1.00 22.11 C ATOM 1208 CG HIS A 75 11.446 14.228 -25.247 1.00 70.54 C ATOM 1209 ND1 HIS A 75 11.726 15.579 -25.198 1.00 13.55 N ATOM 1210 CD2 HIS A 75 10.905 13.925 -24.037 1.00 31.52 C ATOM 1211 CE1 HIS A 75 11.381 16.060 -24.020 1.00 4.10 C ATOM 1212 NE2 HIS A 75 10.877 15.081 -23.307 1.00 13.00 N ATOM 0 H HIS A 75 14.232 13.151 -25.809 1.00 14.31 H new ATOM 0 HA HIS A 75 11.836 11.456 -25.446 1.00 50.01 H new ATOM 0 HB2 HIS A 75 12.328 13.929 -27.168 1.00 22.11 H new ATOM 0 HB3 HIS A 75 10.789 13.120 -26.949 1.00 22.11 H new ATOM 0 HD2 HIS A 75 10.562 12.954 -23.713 1.00 31.52 H new ATOM 0 HE1 HIS A 75 11.494 17.084 -23.697 1.00 4.10 H new ATOM 0 HE2 HIS A 75 10.520 15.168 -22.356 1.00 13.00 H new ATOM 1221 N HIS A 76 11.648 10.705 -27.996 1.00 72.42 N ATOM 1222 CA HIS A 76 11.721 9.847 -29.202 1.00 60.41 C ATOM 1223 C HIS A 76 12.240 10.646 -30.423 1.00 31.31 C ATOM 1224 O HIS A 76 11.923 11.839 -30.579 1.00 0.30 O ATOM 1225 CB HIS A 76 10.334 9.215 -29.516 1.00 22.42 C ATOM 1226 CG HIS A 76 9.280 10.208 -29.943 1.00 11.13 C ATOM 1227 ND1 HIS A 76 9.052 10.536 -31.264 1.00 50.10 N ATOM 1228 CD2 HIS A 76 8.412 10.954 -29.223 1.00 65.41 C ATOM 1229 CE1 HIS A 76 8.102 11.441 -31.330 1.00 60.34 C ATOM 1230 NE2 HIS A 76 7.694 11.711 -30.111 1.00 3.35 N ATOM 0 H HIS A 76 10.695 10.891 -27.683 1.00 72.42 H new ATOM 0 HA HIS A 76 12.428 9.043 -28.996 1.00 60.41 H new ATOM 0 HB2 HIS A 76 10.457 8.472 -30.304 1.00 22.42 H new ATOM 0 HB3 HIS A 76 9.980 8.686 -28.631 1.00 22.42 H new ATOM 0 HD2 HIS A 76 8.305 10.953 -28.148 1.00 65.41 H new ATOM 0 HE1 HIS A 76 7.720 11.888 -32.236 1.00 60.34 H new ATOM 0 HE2 HIS A 76 6.961 12.377 -29.865 1.00 3.35 H new ATOM 1239 N HIS A 77 13.019 9.964 -31.272 1.00 20.12 N ATOM 1240 CA HIS A 77 13.595 10.525 -32.507 1.00 3.35 C ATOM 1241 C HIS A 77 14.116 9.357 -33.384 1.00 70.43 C ATOM 1242 O HIS A 77 15.222 8.842 -33.111 1.00 73.43 O ATOM 1243 CB HIS A 77 14.725 11.556 -32.189 1.00 22.42 C ATOM 1244 CG HIS A 77 15.387 12.162 -33.406 1.00 33.24 C ATOM 1245 ND1 HIS A 77 16.747 12.085 -33.650 1.00 3.32 N ATOM 1246 CD2 HIS A 77 14.873 12.885 -34.431 1.00 75.34 C ATOM 1247 CE1 HIS A 77 17.030 12.718 -34.766 1.00 75.25 C ATOM 1248 NE2 HIS A 77 15.915 13.213 -35.256 1.00 21.11 N ATOM 1249 OXT HIS A 77 13.405 8.940 -34.325 1.00 38.02 O ATOM 0 H HIS A 77 13.273 8.988 -31.119 1.00 20.12 H new ATOM 0 HA HIS A 77 12.826 11.070 -33.055 1.00 3.35 H new ATOM 0 HB2 HIS A 77 14.306 12.359 -31.583 1.00 22.42 H new ATOM 0 HB3 HIS A 77 15.487 11.064 -31.584 1.00 22.42 H new ATOM 0 HD2 HIS A 77 13.836 13.152 -34.571 1.00 75.34 H new ATOM 0 HE1 HIS A 77 18.012 12.815 -35.206 1.00 75.25 H new ATOM 0 HE2 HIS A 77 15.838 13.756 -36.116 1.00 21.11 H new TER 1258 HIS A 77