USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 747 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 62 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 20 HIS : no HD1:sc= -0.017 X(o=-0.93,f=-1.2) USER MOD Set 2.2: A 64 ASN : amide:sc= -0.916 K(o=-0.93,f=-1.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0358 USER MOD Single : A 6 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0524) USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0466) USER MOD Single : A 15 MET CE :methyl -140:sc= 0 (180deg=-0.00302) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.652 K(o=-0.65,f=-0.073) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 48 HIS : no HD1:sc= -0.0935 X(o=-0.093,f=-0.37) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -155:sc= -0.0863 (180deg=-0.461) USER MOD Single : A 61 TYR OH : rot -95:sc= 0.201 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.655 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.036) USER MOD Single : A 86 ASN : amide:sc= -2.23 K(o=-2.2,f=-3.4!) USER MOD Single : A 87 ASN : amide:sc= -0.018 K(o=-0.018,f=-1.9) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -122:sc= 0.635 (180deg=-0.718) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.218 -0.693 0.417 1.00 63.24 N ATOM 2 CA MET A 1 2.294 0.012 -0.271 1.00 31.12 C ATOM 3 C MET A 1 3.462 -0.926 -0.558 1.00 2.20 C ATOM 4 O MET A 1 3.609 -1.967 0.084 1.00 42.42 O ATOM 5 CB MET A 1 2.772 1.199 0.567 1.00 13.15 C ATOM 6 CG MET A 1 1.749 2.319 0.674 1.00 60.31 C ATOM 7 SD MET A 1 2.511 3.936 0.910 1.00 23.40 S ATOM 8 CE MET A 1 1.175 5.017 0.408 1.00 74.35 C ATOM 0 H1 MET A 1 0.434 -0.035 0.602 1.00 63.24 H new ATOM 0 H2 MET A 1 0.880 -1.476 -0.178 1.00 63.24 H new ATOM 0 H3 MET A 1 1.572 -1.072 1.319 1.00 63.24 H new ATOM 0 HA MET A 1 1.905 0.380 -1.220 1.00 31.12 H new ATOM 0 HB2 MET A 1 3.021 0.849 1.569 1.00 13.15 H new ATOM 0 HB3 MET A 1 3.689 1.596 0.130 1.00 13.15 H new ATOM 0 HG2 MET A 1 1.140 2.337 -0.230 1.00 60.31 H new ATOM 0 HG3 MET A 1 1.077 2.113 1.507 1.00 60.31 H new ATOM 0 HE1 MET A 1 1.494 6.055 0.499 1.00 74.35 H new ATOM 0 HE2 MET A 1 0.908 4.808 -0.628 1.00 74.35 H new ATOM 0 HE3 MET A 1 0.309 4.846 1.047 1.00 74.35 H new ATOM 18 N THR A 2 4.292 -0.551 -1.527 1.00 31.11 N ATOM 19 CA THR A 2 5.446 -1.359 -1.900 1.00 21.13 C ATOM 20 C THR A 2 6.748 -0.612 -1.637 1.00 4.20 C ATOM 21 O THR A 2 7.727 -1.196 -1.172 1.00 65.15 O ATOM 22 CB THR A 2 5.391 -1.766 -3.385 1.00 2.55 C ATOM 23 OG1 THR A 2 5.685 -0.635 -4.213 1.00 73.10 O ATOM 24 CG2 THR A 2 4.021 -2.321 -3.743 1.00 64.51 C ATOM 0 H THR A 2 4.186 0.308 -2.067 1.00 31.11 H new ATOM 0 HA THR A 2 5.415 -2.258 -1.284 1.00 21.13 H new ATOM 0 HB THR A 2 6.136 -2.544 -3.555 1.00 2.55 H new ATOM 0 HG1 THR A 2 5.650 -0.902 -5.155 1.00 73.10 H new ATOM 0 HG21 THR A 2 4.006 -2.602 -4.796 1.00 64.51 H new ATOM 0 HG22 THR A 2 3.813 -3.198 -3.131 1.00 64.51 H new ATOM 0 HG23 THR A 2 3.261 -1.561 -3.559 1.00 64.51 H new ATOM 32 N ARG A 3 6.753 0.683 -1.936 1.00 40.04 N ATOM 33 CA ARG A 3 7.936 1.510 -1.733 1.00 2.14 C ATOM 34 C ARG A 3 8.464 1.362 -0.309 1.00 4.13 C ATOM 35 O ARG A 3 7.697 1.143 0.629 1.00 62.11 O ATOM 36 CB ARG A 3 7.614 2.978 -2.018 1.00 71.04 C ATOM 37 CG ARG A 3 6.786 3.643 -0.931 1.00 20.32 C ATOM 38 CD ARG A 3 7.669 4.330 0.100 1.00 75.24 C ATOM 39 NE ARG A 3 7.079 5.576 0.582 1.00 73.23 N ATOM 40 CZ ARG A 3 6.952 6.666 -0.166 1.00 12.41 C ATOM 41 NH1 ARG A 3 7.371 6.664 -1.424 1.00 13.22 N ATOM 42 NH2 ARG A 3 6.404 7.762 0.344 1.00 3.14 N ATOM 0 H ARG A 3 5.951 1.182 -2.320 1.00 40.04 H new ATOM 0 HA ARG A 3 8.707 1.173 -2.426 1.00 2.14 H new ATOM 0 HB2 ARG A 3 8.547 3.528 -2.140 1.00 71.04 H new ATOM 0 HB3 ARG A 3 7.077 3.046 -2.964 1.00 71.04 H new ATOM 0 HG2 ARG A 3 6.113 4.374 -1.380 1.00 20.32 H new ATOM 0 HG3 ARG A 3 6.163 2.896 -0.439 1.00 20.32 H new ATOM 0 HD2 ARG A 3 7.834 3.658 0.942 1.00 75.24 H new ATOM 0 HD3 ARG A 3 8.645 4.537 -0.339 1.00 75.24 H new ATOM 0 HE ARG A 3 6.746 5.611 1.546 1.00 73.23 H new ATOM 0 HH11 ARG A 3 7.792 5.824 -1.820 1.00 13.22 H new ATOM 0 HH12 ARG A 3 7.272 7.503 -1.996 1.00 13.22 H new ATOM 0 HH21 ARG A 3 6.080 7.768 1.311 1.00 3.14 H new ATOM 0 HH22 ARG A 3 6.307 8.599 -0.231 1.00 3.14 H new ATOM 56 N ASP A 4 9.778 1.483 -0.155 1.00 63.12 N ATOM 57 CA ASP A 4 10.409 1.363 1.154 1.00 4.21 C ATOM 58 C ASP A 4 10.052 2.552 2.040 1.00 13.24 C ATOM 59 O ASP A 4 10.160 3.705 1.623 1.00 11.53 O ATOM 60 CB ASP A 4 11.928 1.261 1.004 1.00 1.35 C ATOM 61 CG ASP A 4 12.388 -0.155 0.718 1.00 10.32 C ATOM 62 OD1 ASP A 4 12.571 -0.926 1.683 1.00 30.04 O ATOM 63 OD2 ASP A 4 12.564 -0.492 -0.471 1.00 40.20 O ATOM 0 H ASP A 4 10.427 1.664 -0.921 1.00 63.12 H new ATOM 0 HA ASP A 4 10.037 0.455 1.628 1.00 4.21 H new ATOM 0 HB2 ASP A 4 12.255 1.916 0.197 1.00 1.35 H new ATOM 0 HB3 ASP A 4 12.405 1.617 1.917 1.00 1.35 H new ATOM 68 N PHE A 5 9.624 2.263 3.265 1.00 2.31 N ATOM 69 CA PHE A 5 9.248 3.308 4.210 1.00 4.40 C ATOM 70 C PHE A 5 10.485 3.950 4.832 1.00 24.42 C ATOM 71 O PHE A 5 11.617 3.590 4.505 1.00 34.14 O ATOM 72 CB PHE A 5 8.351 2.734 5.308 1.00 31.00 C ATOM 73 CG PHE A 5 6.902 2.657 4.919 1.00 62.11 C ATOM 74 CD1 PHE A 5 6.429 1.593 4.168 1.00 53.44 C ATOM 75 CD2 PHE A 5 6.014 3.648 5.305 1.00 71.31 C ATOM 76 CE1 PHE A 5 5.096 1.521 3.808 1.00 63.44 C ATOM 77 CE2 PHE A 5 4.680 3.580 4.948 1.00 1.02 C ATOM 78 CZ PHE A 5 4.221 2.514 4.199 1.00 13.44 C ATOM 0 H PHE A 5 9.529 1.314 3.626 1.00 2.31 H new ATOM 0 HA PHE A 5 8.698 4.075 3.665 1.00 4.40 H new ATOM 0 HB2 PHE A 5 8.703 1.736 5.568 1.00 31.00 H new ATOM 0 HB3 PHE A 5 8.447 3.349 6.203 1.00 31.00 H new ATOM 0 HD1 PHE A 5 7.109 0.812 3.861 1.00 53.44 H new ATOM 0 HD2 PHE A 5 6.368 4.483 5.891 1.00 71.31 H new ATOM 0 HE1 PHE A 5 4.740 0.688 3.221 1.00 63.44 H new ATOM 0 HE2 PHE A 5 3.998 4.359 5.254 1.00 1.02 H new ATOM 0 HZ PHE A 5 3.179 2.458 3.920 1.00 13.44 H new ATOM 88 N LYS A 6 10.262 4.902 5.731 1.00 52.41 N ATOM 89 CA LYS A 6 11.356 5.595 6.401 1.00 62.12 C ATOM 90 C LYS A 6 11.416 5.217 7.877 1.00 2.24 C ATOM 91 O LYS A 6 10.417 4.834 8.486 1.00 52.00 O ATOM 92 CB LYS A 6 11.192 7.110 6.257 1.00 23.32 C ATOM 93 CG LYS A 6 10.123 7.694 7.163 1.00 13.43 C ATOM 94 CD LYS A 6 10.013 9.201 6.997 1.00 65.21 C ATOM 95 CE LYS A 6 9.106 9.814 8.052 1.00 33.33 C ATOM 96 NZ LYS A 6 9.756 9.847 9.392 1.00 72.24 N ATOM 0 H LYS A 6 9.332 5.212 6.013 1.00 52.41 H new ATOM 0 HA LYS A 6 12.290 5.291 5.928 1.00 62.12 H new ATOM 0 HB2 LYS A 6 12.145 7.593 6.475 1.00 23.32 H new ATOM 0 HB3 LYS A 6 10.946 7.344 5.221 1.00 23.32 H new ATOM 0 HG2 LYS A 6 9.162 7.231 6.938 1.00 13.43 H new ATOM 0 HG3 LYS A 6 10.356 7.457 8.201 1.00 13.43 H new ATOM 0 HD2 LYS A 6 11.005 9.649 7.064 1.00 65.21 H new ATOM 0 HD3 LYS A 6 9.626 9.431 6.005 1.00 65.21 H new ATOM 0 HE2 LYS A 6 8.836 10.827 7.754 1.00 33.33 H new ATOM 0 HE3 LYS A 6 8.180 9.242 8.112 1.00 33.33 H new ATOM 0 HZ1 LYS A 6 9.173 10.406 10.047 1.00 72.24 H new ATOM 0 HZ2 LYS A 6 9.852 8.877 9.755 1.00 72.24 H new ATOM 0 HZ3 LYS A 6 10.697 10.281 9.311 1.00 72.24 H new ATOM 110 N PRO A 7 12.615 5.328 8.469 1.00 14.33 N ATOM 111 CA PRO A 7 12.833 5.005 9.882 1.00 34.14 C ATOM 112 C PRO A 7 12.169 6.011 10.816 1.00 11.04 C ATOM 113 O PRO A 7 12.512 7.193 10.817 1.00 74.55 O ATOM 114 CB PRO A 7 14.355 5.063 10.029 1.00 42.12 C ATOM 115 CG PRO A 7 14.805 5.984 8.947 1.00 32.15 C ATOM 116 CD PRO A 7 13.849 5.779 7.805 1.00 61.42 C ATOM 0 HA PRO A 7 12.402 4.041 10.150 1.00 34.14 H new ATOM 0 HB2 PRO A 7 14.644 5.436 11.012 1.00 42.12 H new ATOM 0 HB3 PRO A 7 14.801 4.075 9.919 1.00 42.12 H new ATOM 0 HG2 PRO A 7 14.792 7.020 9.286 1.00 32.15 H new ATOM 0 HG3 PRO A 7 15.828 5.760 8.645 1.00 32.15 H new ATOM 0 HD2 PRO A 7 13.690 6.700 7.244 1.00 61.42 H new ATOM 0 HD3 PRO A 7 14.220 5.036 7.099 1.00 61.42 H new ATOM 124 N GLY A 8 11.217 5.534 11.612 1.00 15.15 N ATOM 125 CA GLY A 8 10.520 6.406 12.541 1.00 62.43 C ATOM 126 C GLY A 8 9.194 6.895 11.993 1.00 43.11 C ATOM 127 O GLY A 8 8.618 7.853 12.508 1.00 13.11 O ATOM 0 H GLY A 8 10.916 4.560 11.631 1.00 15.15 H new ATOM 0 HA2 GLY A 8 10.349 5.873 13.476 1.00 62.43 H new ATOM 0 HA3 GLY A 8 11.152 7.263 12.774 1.00 62.43 H new ATOM 131 N ASP A 9 8.710 6.238 10.945 1.00 21.40 N ATOM 132 CA ASP A 9 7.444 6.612 10.326 1.00 32.31 C ATOM 133 C ASP A 9 6.273 5.934 11.031 1.00 21.22 C ATOM 134 O ASP A 9 6.328 4.744 11.345 1.00 62.11 O ATOM 135 CB ASP A 9 7.447 6.239 8.843 1.00 52.12 C ATOM 136 CG ASP A 9 6.691 7.241 7.993 1.00 74.14 C ATOM 137 OD1 ASP A 9 5.956 8.071 8.567 1.00 35.30 O ATOM 138 OD2 ASP A 9 6.833 7.195 6.753 1.00 63.45 O ATOM 0 H ASP A 9 9.175 5.443 10.506 1.00 21.40 H new ATOM 0 HA ASP A 9 7.327 7.691 10.421 1.00 32.31 H new ATOM 0 HB2 ASP A 9 8.476 6.171 8.490 1.00 52.12 H new ATOM 0 HB3 ASP A 9 7.002 5.252 8.719 1.00 52.12 H new ATOM 143 N LEU A 10 5.215 6.698 11.279 1.00 43.23 N ATOM 144 CA LEU A 10 4.031 6.172 11.948 1.00 32.02 C ATOM 145 C LEU A 10 3.206 5.311 10.998 1.00 74.45 C ATOM 146 O LEU A 10 2.644 5.809 10.021 1.00 3.35 O ATOM 147 CB LEU A 10 3.175 7.319 12.489 1.00 73.41 C ATOM 148 CG LEU A 10 3.695 8.007 13.752 1.00 74.43 C ATOM 149 CD1 LEU A 10 4.935 8.830 13.439 1.00 33.41 C ATOM 150 CD2 LEU A 10 2.612 8.882 14.366 1.00 1.11 C ATOM 0 H LEU A 10 5.153 7.684 11.027 1.00 43.23 H new ATOM 0 HA LEU A 10 4.360 5.549 12.780 1.00 32.02 H new ATOM 0 HB2 LEU A 10 3.073 8.070 11.706 1.00 73.41 H new ATOM 0 HB3 LEU A 10 2.176 6.935 12.694 1.00 73.41 H new ATOM 0 HG LEU A 10 3.967 7.239 14.476 1.00 74.43 H new ATOM 0 HD11 LEU A 10 5.291 9.312 14.349 1.00 33.41 H new ATOM 0 HD12 LEU A 10 5.715 8.178 13.045 1.00 33.41 H new ATOM 0 HD13 LEU A 10 4.689 9.591 12.698 1.00 33.41 H new ATOM 0 HD21 LEU A 10 2.999 9.364 15.264 1.00 1.11 H new ATOM 0 HD22 LEU A 10 2.309 9.643 13.647 1.00 1.11 H new ATOM 0 HD23 LEU A 10 1.751 8.266 14.627 1.00 1.11 H new ATOM 162 N ILE A 11 3.135 4.017 11.290 1.00 32.45 N ATOM 163 CA ILE A 11 2.375 3.087 10.464 1.00 43.14 C ATOM 164 C ILE A 11 1.839 1.926 11.293 1.00 35.42 C ATOM 165 O ILE A 11 2.518 1.421 12.188 1.00 50.25 O ATOM 166 CB ILE A 11 3.232 2.528 9.312 1.00 2.14 C ATOM 167 CG1 ILE A 11 4.466 1.813 9.867 1.00 42.33 C ATOM 168 CG2 ILE A 11 3.642 3.646 8.366 1.00 53.43 C ATOM 169 CD1 ILE A 11 4.246 0.339 10.124 1.00 50.10 C ATOM 0 H ILE A 11 3.595 3.588 12.093 1.00 32.45 H new ATOM 0 HA ILE A 11 1.539 3.648 10.046 1.00 43.14 H new ATOM 0 HB ILE A 11 2.637 1.806 8.753 1.00 2.14 H new ATOM 0 HG12 ILE A 11 5.291 1.932 9.165 1.00 42.33 H new ATOM 0 HG13 ILE A 11 4.767 2.295 10.797 1.00 42.33 H new ATOM 0 HG21 ILE A 11 4.247 3.235 7.558 1.00 53.43 H new ATOM 0 HG22 ILE A 11 2.751 4.116 7.950 1.00 53.43 H new ATOM 0 HG23 ILE A 11 4.223 4.390 8.912 1.00 53.43 H new ATOM 0 HD11 ILE A 11 5.162 -0.103 10.516 1.00 50.10 H new ATOM 0 HD12 ILE A 11 3.442 0.212 10.850 1.00 50.10 H new ATOM 0 HD13 ILE A 11 3.975 -0.156 9.192 1.00 50.10 H new ATOM 181 N PHE A 12 0.615 1.504 10.989 1.00 3.34 N ATOM 182 CA PHE A 12 -0.013 0.401 11.706 1.00 32.14 C ATOM 183 C PHE A 12 0.495 -0.942 11.191 1.00 70.31 C ATOM 184 O PHE A 12 0.273 -1.300 10.035 1.00 53.25 O ATOM 185 CB PHE A 12 -1.535 0.472 11.563 1.00 41.43 C ATOM 186 CG PHE A 12 -2.204 1.257 12.655 1.00 41.33 C ATOM 187 CD1 PHE A 12 -1.832 2.567 12.912 1.00 22.02 C ATOM 188 CD2 PHE A 12 -3.205 0.686 13.423 1.00 20.32 C ATOM 189 CE1 PHE A 12 -2.445 3.291 13.917 1.00 73.00 C ATOM 190 CE2 PHE A 12 -3.822 1.405 14.429 1.00 14.12 C ATOM 191 CZ PHE A 12 -3.443 2.710 14.676 1.00 63.25 C ATOM 0 H PHE A 12 0.039 1.910 10.251 1.00 3.34 H new ATOM 0 HA PHE A 12 0.250 0.489 12.760 1.00 32.14 H new ATOM 0 HB2 PHE A 12 -1.781 0.921 10.601 1.00 41.43 H new ATOM 0 HB3 PHE A 12 -1.939 -0.540 11.555 1.00 41.43 H new ATOM 0 HD1 PHE A 12 -1.054 3.027 12.320 1.00 22.02 H new ATOM 0 HD2 PHE A 12 -3.507 -0.333 13.233 1.00 20.32 H new ATOM 0 HE1 PHE A 12 -2.144 4.310 14.109 1.00 73.00 H new ATOM 0 HE2 PHE A 12 -4.600 0.947 15.022 1.00 14.12 H new ATOM 0 HZ PHE A 12 -3.925 3.275 15.460 1.00 63.25 H new ATOM 201 N ALA A 13 1.179 -1.682 12.058 1.00 41.41 N ATOM 202 CA ALA A 13 1.718 -2.986 11.692 1.00 50.51 C ATOM 203 C ALA A 13 0.635 -4.059 11.735 1.00 43.45 C ATOM 204 O ALA A 13 -0.062 -4.213 12.738 1.00 42.24 O ATOM 205 CB ALA A 13 2.870 -3.358 12.614 1.00 73.24 C ATOM 0 H ALA A 13 1.373 -1.400 13.019 1.00 41.41 H new ATOM 0 HA ALA A 13 2.091 -2.924 10.670 1.00 50.51 H new ATOM 0 HB1 ALA A 13 3.263 -4.334 12.330 1.00 73.24 H new ATOM 0 HB2 ALA A 13 3.659 -2.611 12.530 1.00 73.24 H new ATOM 0 HB3 ALA A 13 2.514 -3.396 13.644 1.00 73.24 H new ATOM 211 N LYS A 14 0.499 -4.798 10.639 1.00 34.33 N ATOM 212 CA LYS A 14 -0.499 -5.858 10.551 1.00 61.03 C ATOM 213 C LYS A 14 0.160 -7.232 10.618 1.00 33.24 C ATOM 214 O LYS A 14 0.783 -7.680 9.656 1.00 1.14 O ATOM 215 CB LYS A 14 -1.298 -5.727 9.252 1.00 31.22 C ATOM 216 CG LYS A 14 -2.195 -6.919 8.967 1.00 32.23 C ATOM 217 CD LYS A 14 -3.152 -7.184 10.117 1.00 34.13 C ATOM 218 CE LYS A 14 -4.423 -7.870 9.638 1.00 3.05 C ATOM 219 NZ LYS A 14 -4.136 -9.180 8.992 1.00 24.51 N ATOM 0 H LYS A 14 1.067 -4.683 9.800 1.00 34.33 H new ATOM 0 HA LYS A 14 -1.176 -5.757 11.399 1.00 61.03 H new ATOM 0 HB2 LYS A 14 -1.910 -4.826 9.301 1.00 31.22 H new ATOM 0 HB3 LYS A 14 -0.605 -5.597 8.421 1.00 31.22 H new ATOM 0 HG2 LYS A 14 -2.763 -6.738 8.054 1.00 32.23 H new ATOM 0 HG3 LYS A 14 -1.582 -7.803 8.791 1.00 32.23 H new ATOM 0 HD2 LYS A 14 -2.661 -7.807 10.864 1.00 34.13 H new ATOM 0 HD3 LYS A 14 -3.407 -6.243 10.604 1.00 34.13 H new ATOM 0 HE2 LYS A 14 -5.095 -8.021 10.483 1.00 3.05 H new ATOM 0 HE3 LYS A 14 -4.941 -7.222 8.931 1.00 3.05 H new ATOM 0 HZ1 LYS A 14 -5.031 -9.662 8.771 1.00 24.51 H new ATOM 0 HZ2 LYS A 14 -3.601 -9.024 8.114 1.00 24.51 H new ATOM 0 HZ3 LYS A 14 -3.575 -9.771 9.639 1.00 24.51 H new ATOM 233 N MET A 15 0.016 -7.897 11.760 1.00 14.22 N ATOM 234 CA MET A 15 0.595 -9.222 11.951 1.00 13.52 C ATOM 235 C MET A 15 -0.357 -10.307 11.459 1.00 72.11 C ATOM 236 O MET A 15 -1.559 -10.260 11.723 1.00 41.14 O ATOM 237 CB MET A 15 0.926 -9.449 13.427 1.00 1.34 C ATOM 238 CG MET A 15 2.338 -9.030 13.805 1.00 51.03 C ATOM 239 SD MET A 15 2.792 -9.542 15.473 1.00 52.01 S ATOM 240 CE MET A 15 3.219 -11.259 15.196 1.00 70.14 C ATOM 0 H MET A 15 -0.496 -7.540 12.567 1.00 14.22 H new ATOM 0 HA MET A 15 1.514 -9.277 11.367 1.00 13.52 H new ATOM 0 HB2 MET A 15 0.215 -8.895 14.040 1.00 1.34 H new ATOM 0 HB3 MET A 15 0.794 -10.505 13.662 1.00 1.34 H new ATOM 0 HG2 MET A 15 3.043 -9.459 13.093 1.00 51.03 H new ATOM 0 HG3 MET A 15 2.425 -7.946 13.726 1.00 51.03 H new ATOM 0 HE1 MET A 15 2.845 -11.865 16.022 1.00 70.14 H new ATOM 0 HE2 MET A 15 2.769 -11.600 14.263 1.00 70.14 H new ATOM 0 HE3 MET A 15 4.303 -11.359 15.134 1.00 70.14 H new ATOM 250 N LYS A 16 0.187 -11.284 10.742 1.00 23.41 N ATOM 251 CA LYS A 16 -0.613 -12.383 10.213 1.00 4.12 C ATOM 252 C LYS A 16 -1.434 -13.039 11.318 1.00 25.54 C ATOM 253 O LYS A 16 -0.888 -13.701 12.201 1.00 41.32 O ATOM 254 CB LYS A 16 0.290 -13.424 9.547 1.00 42.40 C ATOM 255 CG LYS A 16 0.993 -12.911 8.302 1.00 24.10 C ATOM 256 CD LYS A 16 2.111 -13.845 7.869 1.00 42.23 C ATOM 257 CE LYS A 16 2.925 -13.249 6.730 1.00 74.53 C ATOM 258 NZ LYS A 16 3.941 -14.208 6.214 1.00 74.04 N ATOM 0 H LYS A 16 1.180 -11.338 10.513 1.00 23.41 H new ATOM 0 HA LYS A 16 -1.298 -11.976 9.469 1.00 4.12 H new ATOM 0 HB2 LYS A 16 1.039 -13.757 10.266 1.00 42.40 H new ATOM 0 HB3 LYS A 16 -0.308 -14.296 9.283 1.00 42.40 H new ATOM 0 HG2 LYS A 16 0.271 -12.806 7.492 1.00 24.10 H new ATOM 0 HG3 LYS A 16 1.401 -11.919 8.496 1.00 24.10 H new ATOM 0 HD2 LYS A 16 2.765 -14.049 8.717 1.00 42.23 H new ATOM 0 HD3 LYS A 16 1.688 -14.799 7.555 1.00 42.23 H new ATOM 0 HE2 LYS A 16 2.257 -12.957 5.920 1.00 74.53 H new ATOM 0 HE3 LYS A 16 3.423 -12.343 7.075 1.00 74.53 H new ATOM 0 HZ1 LYS A 16 4.475 -13.765 5.439 1.00 74.04 H new ATOM 0 HZ2 LYS A 16 4.594 -14.467 6.980 1.00 74.04 H new ATOM 0 HZ3 LYS A 16 3.464 -15.062 5.861 1.00 74.04 H new ATOM 272 N GLY A 17 -2.749 -12.853 11.263 1.00 60.43 N ATOM 273 CA GLY A 17 -3.623 -13.435 12.264 1.00 35.30 C ATOM 274 C GLY A 17 -3.874 -12.499 13.430 1.00 70.05 C ATOM 275 O GLY A 17 -4.247 -12.937 14.518 1.00 61.50 O ATOM 0 H GLY A 17 -3.225 -12.309 10.543 1.00 60.43 H new ATOM 0 HA2 GLY A 17 -4.575 -13.698 11.802 1.00 35.30 H new ATOM 0 HA3 GLY A 17 -3.181 -14.360 12.634 1.00 35.30 H new ATOM 279 N TYR A 18 -3.668 -11.207 13.203 1.00 45.42 N ATOM 280 CA TYR A 18 -3.869 -10.206 14.244 1.00 34.22 C ATOM 281 C TYR A 18 -4.350 -8.887 13.647 1.00 63.23 C ATOM 282 O TYR A 18 -4.077 -8.564 12.490 1.00 35.12 O ATOM 283 CB TYR A 18 -2.573 -9.983 15.025 1.00 61.33 C ATOM 284 CG TYR A 18 -1.923 -11.264 15.497 1.00 23.01 C ATOM 285 CD1 TYR A 18 -1.079 -11.987 14.662 1.00 14.11 C ATOM 286 CD2 TYR A 18 -2.152 -11.752 16.778 1.00 53.15 C ATOM 287 CE1 TYR A 18 -0.484 -13.158 15.089 1.00 44.10 C ATOM 288 CE2 TYR A 18 -1.560 -12.921 17.213 1.00 24.13 C ATOM 289 CZ TYR A 18 -0.726 -13.621 16.365 1.00 14.45 C ATOM 290 OH TYR A 18 -0.135 -14.787 16.795 1.00 12.54 O ATOM 0 H TYR A 18 -3.362 -10.828 12.307 1.00 45.42 H new ATOM 0 HA TYR A 18 -4.636 -10.577 14.924 1.00 34.22 H new ATOM 0 HB2 TYR A 18 -1.869 -9.438 14.396 1.00 61.33 H new ATOM 0 HB3 TYR A 18 -2.783 -9.352 15.889 1.00 61.33 H new ATOM 0 HD1 TYR A 18 -0.885 -11.627 13.662 1.00 14.11 H new ATOM 0 HD2 TYR A 18 -2.804 -11.207 17.445 1.00 53.15 H new ATOM 0 HE1 TYR A 18 0.168 -13.708 14.427 1.00 44.10 H new ATOM 0 HE2 TYR A 18 -1.749 -13.286 18.212 1.00 24.13 H new ATOM 0 HH TYR A 18 -0.409 -14.972 17.718 1.00 12.54 H new ATOM 300 N PRO A 19 -5.082 -8.105 14.454 1.00 62.12 N ATOM 301 CA PRO A 19 -5.615 -6.808 14.028 1.00 12.34 C ATOM 302 C PRO A 19 -4.520 -5.762 13.846 1.00 32.24 C ATOM 303 O PRO A 19 -3.355 -6.007 14.161 1.00 32.52 O ATOM 304 CB PRO A 19 -6.546 -6.413 15.178 1.00 50.34 C ATOM 305 CG PRO A 19 -6.009 -7.134 16.365 1.00 22.12 C ATOM 306 CD PRO A 19 -5.445 -8.427 15.844 1.00 2.02 C ATOM 0 HA PRO A 19 -6.112 -6.870 13.060 1.00 12.34 H new ATOM 0 HB2 PRO A 19 -6.544 -5.334 15.336 1.00 50.34 H new ATOM 0 HB3 PRO A 19 -7.576 -6.703 14.971 1.00 50.34 H new ATOM 0 HG2 PRO A 19 -5.239 -6.545 16.864 1.00 22.12 H new ATOM 0 HG3 PRO A 19 -6.794 -7.318 17.098 1.00 22.12 H new ATOM 0 HD2 PRO A 19 -4.578 -8.749 16.421 1.00 2.02 H new ATOM 0 HD3 PRO A 19 -6.177 -9.233 15.892 1.00 2.02 H new ATOM 314 N HIS A 20 -4.901 -4.595 13.337 1.00 74.10 N ATOM 315 CA HIS A 20 -3.951 -3.511 13.114 1.00 31.23 C ATOM 316 C HIS A 20 -3.510 -2.895 14.438 1.00 10.34 C ATOM 317 O HIS A 20 -4.291 -2.814 15.387 1.00 64.12 O ATOM 318 CB HIS A 20 -4.571 -2.437 12.220 1.00 64.24 C ATOM 319 CG HIS A 20 -5.272 -2.990 11.018 1.00 70.55 C ATOM 320 ND1 HIS A 20 -4.653 -3.808 10.095 1.00 15.31 N ATOM 321 CD2 HIS A 20 -6.548 -2.841 10.590 1.00 24.21 C ATOM 322 CE1 HIS A 20 -5.518 -4.136 9.151 1.00 3.33 C ATOM 323 NE2 HIS A 20 -6.675 -3.562 9.428 1.00 21.45 N ATOM 0 H HIS A 20 -5.861 -4.376 13.071 1.00 74.10 H new ATOM 0 HA HIS A 20 -3.074 -3.926 12.616 1.00 31.23 H new ATOM 0 HB2 HIS A 20 -5.280 -1.852 12.807 1.00 64.24 H new ATOM 0 HB3 HIS A 20 -3.788 -1.753 11.891 1.00 64.24 H new ATOM 0 HD2 HIS A 20 -7.322 -2.263 11.073 1.00 24.21 H new ATOM 0 HE1 HIS A 20 -5.314 -4.766 8.298 1.00 3.33 H new ATOM 0 HE2 HIS A 20 -7.525 -3.641 8.870 1.00 21.45 H new ATOM 331 N TRP A 21 -2.256 -2.462 14.495 1.00 24.51 N ATOM 332 CA TRP A 21 -1.711 -1.854 15.704 1.00 60.13 C ATOM 333 C TRP A 21 -0.664 -0.801 15.359 1.00 51.24 C ATOM 334 O TRP A 21 0.183 -0.996 14.487 1.00 4.21 O ATOM 335 CB TRP A 21 -1.096 -2.925 16.606 1.00 34.31 C ATOM 336 CG TRP A 21 -0.483 -2.369 17.855 1.00 22.03 C ATOM 337 CD1 TRP A 21 0.795 -1.911 18.007 1.00 13.40 C ATOM 338 CD2 TRP A 21 -1.120 -2.215 19.128 1.00 54.31 C ATOM 339 NE1 TRP A 21 0.990 -1.481 19.297 1.00 13.44 N ATOM 340 CE2 TRP A 21 -0.170 -1.656 20.005 1.00 51.32 C ATOM 341 CE3 TRP A 21 -2.402 -2.492 19.612 1.00 63.24 C ATOM 342 CZ2 TRP A 21 -0.463 -1.372 21.336 1.00 2.41 C ATOM 343 CZ3 TRP A 21 -2.690 -2.210 20.933 1.00 14.11 C ATOM 344 CH2 TRP A 21 -1.725 -1.654 21.783 1.00 51.42 C ATOM 0 H TRP A 21 -1.597 -2.520 13.719 1.00 24.51 H new ATOM 0 HA TRP A 21 -2.528 -1.367 16.236 1.00 60.13 H new ATOM 0 HB2 TRP A 21 -1.866 -3.647 16.878 1.00 34.31 H new ATOM 0 HB3 TRP A 21 -0.334 -3.468 16.046 1.00 34.31 H new ATOM 0 HD1 TRP A 21 1.542 -1.890 17.228 1.00 13.40 H new ATOM 0 HE1 TRP A 21 1.858 -1.094 19.668 1.00 13.44 H new ATOM 0 HE3 TRP A 21 -3.154 -2.919 18.965 1.00 63.24 H new ATOM 0 HZ2 TRP A 21 0.280 -0.944 21.993 1.00 2.41 H new ATOM 0 HZ3 TRP A 21 -3.677 -2.422 21.318 1.00 14.11 H new ATOM 0 HH2 TRP A 21 -1.982 -1.444 22.811 1.00 51.42 H new ATOM 355 N PRO A 22 -0.721 0.343 16.057 1.00 52.12 N ATOM 356 CA PRO A 22 0.216 1.450 15.842 1.00 71.45 C ATOM 357 C PRO A 22 1.626 1.116 16.316 1.00 31.35 C ATOM 358 O PRO A 22 1.848 0.860 17.500 1.00 62.05 O ATOM 359 CB PRO A 22 -0.376 2.584 16.681 1.00 54.42 C ATOM 360 CG PRO A 22 -1.167 1.899 17.741 1.00 22.41 C ATOM 361 CD PRO A 22 -1.705 0.644 17.110 1.00 1.15 C ATOM 0 HA PRO A 22 0.322 1.695 14.785 1.00 71.45 H new ATOM 0 HB2 PRO A 22 0.407 3.208 17.112 1.00 54.42 H new ATOM 0 HB3 PRO A 22 -1.006 3.236 16.076 1.00 54.42 H new ATOM 0 HG2 PRO A 22 -0.543 1.666 18.604 1.00 22.41 H new ATOM 0 HG3 PRO A 22 -1.977 2.536 18.096 1.00 22.41 H new ATOM 0 HD2 PRO A 22 -1.781 -0.168 17.833 1.00 1.15 H new ATOM 0 HD3 PRO A 22 -2.702 0.798 16.697 1.00 1.15 H new ATOM 369 N ALA A 23 2.575 1.120 15.386 1.00 3.45 N ATOM 370 CA ALA A 23 3.964 0.821 15.711 1.00 23.52 C ATOM 371 C ALA A 23 4.910 1.820 15.054 1.00 71.14 C ATOM 372 O ALA A 23 4.471 2.781 14.422 1.00 11.32 O ATOM 373 CB ALA A 23 4.312 -0.598 15.284 1.00 52.23 C ATOM 0 H ALA A 23 2.407 1.327 14.401 1.00 3.45 H new ATOM 0 HA ALA A 23 4.084 0.904 16.791 1.00 23.52 H new ATOM 0 HB1 ALA A 23 5.352 -0.808 15.533 1.00 52.23 H new ATOM 0 HB2 ALA A 23 3.665 -1.304 15.805 1.00 52.23 H new ATOM 0 HB3 ALA A 23 4.168 -0.700 14.208 1.00 52.23 H new ATOM 379 N ARG A 24 6.209 1.587 15.207 1.00 63.14 N ATOM 380 CA ARG A 24 7.217 2.468 14.629 1.00 12.30 C ATOM 381 C ARG A 24 8.230 1.673 13.811 1.00 51.34 C ATOM 382 O ARG A 24 8.643 0.582 14.204 1.00 13.32 O ATOM 383 CB ARG A 24 7.935 3.248 15.732 1.00 43.23 C ATOM 384 CG ARG A 24 9.163 4.000 15.245 1.00 63.13 C ATOM 385 CD ARG A 24 10.446 3.270 15.613 1.00 54.20 C ATOM 386 NE ARG A 24 11.010 3.755 16.870 1.00 51.34 N ATOM 387 CZ ARG A 24 11.655 4.910 16.988 1.00 2.30 C ATOM 388 NH1 ARG A 24 11.817 5.695 15.931 1.00 34.33 N ATOM 389 NH2 ARG A 24 12.140 5.283 18.166 1.00 42.15 N ATOM 0 H ARG A 24 6.589 0.795 15.726 1.00 63.14 H new ATOM 0 HA ARG A 24 6.712 3.170 13.966 1.00 12.30 H new ATOM 0 HB2 ARG A 24 7.237 3.958 16.177 1.00 43.23 H new ATOM 0 HB3 ARG A 24 8.232 2.556 16.520 1.00 43.23 H new ATOM 0 HG2 ARG A 24 9.110 4.123 14.163 1.00 63.13 H new ATOM 0 HG3 ARG A 24 9.175 5.000 15.679 1.00 63.13 H new ATOM 0 HD2 ARG A 24 10.245 2.202 15.694 1.00 54.20 H new ATOM 0 HD3 ARG A 24 11.177 3.397 14.815 1.00 54.20 H new ATOM 0 HE ARG A 24 10.903 3.175 17.702 1.00 51.34 H new ATOM 0 HH11 ARG A 24 11.446 5.412 15.024 1.00 34.33 H new ATOM 0 HH12 ARG A 24 12.313 6.581 16.025 1.00 34.33 H new ATOM 0 HH21 ARG A 24 12.017 4.682 18.981 1.00 42.15 H new ATOM 0 HH22 ARG A 24 12.635 6.170 18.256 1.00 42.15 H new ATOM 403 N VAL A 25 8.626 2.227 12.669 1.00 3.52 N ATOM 404 CA VAL A 25 9.591 1.571 11.795 1.00 22.02 C ATOM 405 C VAL A 25 11.020 1.836 12.257 1.00 51.24 C ATOM 406 O VAL A 25 11.378 2.969 12.580 1.00 25.43 O ATOM 407 CB VAL A 25 9.439 2.042 10.337 1.00 73.13 C ATOM 408 CG1 VAL A 25 10.456 1.350 9.443 1.00 63.22 C ATOM 409 CG2 VAL A 25 8.023 1.790 9.841 1.00 33.32 C ATOM 0 H VAL A 25 8.293 3.129 12.328 1.00 3.52 H new ATOM 0 HA VAL A 25 9.388 0.501 11.846 1.00 22.02 H new ATOM 0 HB VAL A 25 9.628 3.115 10.299 1.00 73.13 H new ATOM 0 HG11 VAL A 25 10.333 1.696 8.417 1.00 63.22 H new ATOM 0 HG12 VAL A 25 11.463 1.586 9.787 1.00 63.22 H new ATOM 0 HG13 VAL A 25 10.302 0.272 9.484 1.00 63.22 H new ATOM 0 HG21 VAL A 25 7.933 2.129 8.809 1.00 33.32 H new ATOM 0 HG22 VAL A 25 7.804 0.724 9.893 1.00 33.32 H new ATOM 0 HG23 VAL A 25 7.316 2.337 10.465 1.00 33.32 H new ATOM 419 N ASP A 26 11.832 0.785 12.284 1.00 75.02 N ATOM 420 CA ASP A 26 13.223 0.904 12.704 1.00 31.11 C ATOM 421 C ASP A 26 14.158 0.884 11.499 1.00 2.21 C ATOM 422 O ASP A 26 13.776 0.452 10.412 1.00 13.23 O ATOM 423 CB ASP A 26 13.586 -0.229 13.666 1.00 40.42 C ATOM 424 CG ASP A 26 14.897 0.021 14.386 1.00 55.11 C ATOM 425 OD1 ASP A 26 14.987 1.026 15.121 1.00 51.40 O ATOM 426 OD2 ASP A 26 15.832 -0.788 14.214 1.00 62.23 O ATOM 0 H ASP A 26 11.551 -0.159 12.020 1.00 75.02 H new ATOM 0 HA ASP A 26 13.342 1.858 13.217 1.00 31.11 H new ATOM 0 HB2 ASP A 26 12.789 -0.348 14.400 1.00 40.42 H new ATOM 0 HB3 ASP A 26 13.652 -1.165 13.112 1.00 40.42 H new ATOM 431 N GLU A 27 15.385 1.356 11.700 1.00 34.14 N ATOM 432 CA GLU A 27 16.373 1.394 10.629 1.00 22.22 C ATOM 433 C GLU A 27 17.086 0.051 10.499 1.00 4.03 C ATOM 434 O GLU A 27 16.943 -0.826 11.352 1.00 44.34 O ATOM 435 CB GLU A 27 17.395 2.503 10.887 1.00 53.53 C ATOM 436 CG GLU A 27 18.187 2.316 12.170 1.00 73.23 C ATOM 437 CD GLU A 27 19.064 3.510 12.494 1.00 74.31 C ATOM 438 OE1 GLU A 27 20.044 3.744 11.757 1.00 0.02 O ATOM 439 OE2 GLU A 27 18.768 4.210 13.485 1.00 4.01 O ATOM 0 H GLU A 27 15.718 1.717 12.594 1.00 34.14 H new ATOM 0 HA GLU A 27 15.851 1.601 9.695 1.00 22.22 H new ATOM 0 HB2 GLU A 27 18.087 2.550 10.046 1.00 53.53 H new ATOM 0 HB3 GLU A 27 16.876 3.461 10.927 1.00 53.53 H new ATOM 0 HG2 GLU A 27 17.497 2.142 12.996 1.00 73.23 H new ATOM 0 HG3 GLU A 27 18.810 1.426 12.082 1.00 73.23 H new ATOM 446 N VAL A 28 17.855 -0.103 9.426 1.00 50.24 N ATOM 447 CA VAL A 28 18.591 -1.338 9.183 1.00 3.41 C ATOM 448 C VAL A 28 19.581 -1.617 10.308 1.00 5.01 C ATOM 449 O VAL A 28 20.034 -0.712 11.010 1.00 53.13 O ATOM 450 CB VAL A 28 19.353 -1.283 7.845 1.00 30.34 C ATOM 451 CG1 VAL A 28 18.390 -1.421 6.676 1.00 14.13 C ATOM 452 CG2 VAL A 28 20.152 0.007 7.740 1.00 71.23 C ATOM 0 H VAL A 28 17.985 0.613 8.711 1.00 50.24 H new ATOM 0 HA VAL A 28 17.856 -2.142 9.141 1.00 3.41 H new ATOM 0 HB VAL A 28 20.051 -2.119 7.809 1.00 30.34 H new ATOM 0 HG11 VAL A 28 18.946 -1.380 5.740 1.00 14.13 H new ATOM 0 HG12 VAL A 28 17.867 -2.375 6.746 1.00 14.13 H new ATOM 0 HG13 VAL A 28 17.665 -0.607 6.704 1.00 14.13 H new ATOM 0 HG21 VAL A 28 20.684 0.029 6.789 1.00 71.23 H new ATOM 0 HG22 VAL A 28 19.475 0.860 7.797 1.00 71.23 H new ATOM 0 HG23 VAL A 28 20.870 0.058 8.559 1.00 71.23 H new ATOM 462 N PRO A 29 19.928 -2.900 10.486 1.00 63.41 N ATOM 463 CA PRO A 29 20.870 -3.329 11.524 1.00 31.43 C ATOM 464 C PRO A 29 22.298 -2.882 11.232 1.00 1.15 C ATOM 465 O PRO A 29 22.572 -2.289 10.189 1.00 51.11 O ATOM 466 CB PRO A 29 20.769 -4.856 11.485 1.00 24.33 C ATOM 467 CG PRO A 29 20.318 -5.171 10.101 1.00 53.01 C ATOM 468 CD PRO A 29 19.428 -4.032 9.687 1.00 43.55 C ATOM 0 HA PRO A 29 20.630 -2.897 12.496 1.00 31.43 H new ATOM 0 HB2 PRO A 29 21.730 -5.322 11.704 1.00 24.33 H new ATOM 0 HB3 PRO A 29 20.060 -5.225 12.226 1.00 24.33 H new ATOM 0 HG2 PRO A 29 21.168 -5.267 9.426 1.00 53.01 H new ATOM 0 HG3 PRO A 29 19.779 -6.118 10.072 1.00 53.01 H new ATOM 0 HD2 PRO A 29 19.502 -3.833 8.618 1.00 43.55 H new ATOM 0 HD3 PRO A 29 18.380 -4.243 9.901 1.00 43.55 H new ATOM 476 N ASP A 30 23.204 -3.170 12.160 1.00 44.10 N ATOM 477 CA ASP A 30 24.606 -2.798 12.001 1.00 34.22 C ATOM 478 C ASP A 30 25.207 -3.461 10.766 1.00 52.45 C ATOM 479 O ASP A 30 26.236 -3.023 10.253 1.00 23.32 O ATOM 480 CB ASP A 30 25.404 -3.192 13.245 1.00 12.52 C ATOM 481 CG ASP A 30 25.045 -2.350 14.454 1.00 54.43 C ATOM 482 OD1 ASP A 30 25.171 -1.110 14.372 1.00 61.15 O ATOM 483 OD2 ASP A 30 24.638 -2.930 15.482 1.00 34.11 O ATOM 0 H ASP A 30 22.993 -3.659 13.030 1.00 44.10 H new ATOM 0 HA ASP A 30 24.657 -1.717 11.873 1.00 34.22 H new ATOM 0 HB2 ASP A 30 25.223 -4.243 13.471 1.00 12.52 H new ATOM 0 HB3 ASP A 30 26.469 -3.089 13.038 1.00 12.52 H new ATOM 488 N GLY A 31 24.557 -4.520 10.292 1.00 13.52 N ATOM 489 CA GLY A 31 25.043 -5.226 9.121 1.00 15.13 C ATOM 490 C GLY A 31 25.287 -6.697 9.392 1.00 74.33 C ATOM 491 O GLY A 31 25.411 -7.494 8.462 1.00 55.11 O ATOM 0 H GLY A 31 23.703 -4.901 10.698 1.00 13.52 H new ATOM 0 HA2 GLY A 31 24.319 -5.124 8.312 1.00 15.13 H new ATOM 0 HA3 GLY A 31 25.969 -4.764 8.780 1.00 15.13 H new ATOM 495 N ALA A 32 25.357 -7.059 10.669 1.00 45.14 N ATOM 496 CA ALA A 32 25.588 -8.444 11.059 1.00 62.35 C ATOM 497 C ALA A 32 24.649 -8.861 12.186 1.00 45.13 C ATOM 498 O ALA A 32 24.952 -9.774 12.954 1.00 61.44 O ATOM 499 CB ALA A 32 27.038 -8.640 11.477 1.00 71.53 C ATOM 0 H ALA A 32 25.257 -6.412 11.451 1.00 45.14 H new ATOM 0 HA ALA A 32 25.381 -9.078 10.197 1.00 62.35 H new ATOM 0 HB1 ALA A 32 27.196 -9.679 11.766 1.00 71.53 H new ATOM 0 HB2 ALA A 32 27.694 -8.391 10.643 1.00 71.53 H new ATOM 0 HB3 ALA A 32 27.264 -7.990 12.322 1.00 71.53 H new ATOM 505 N VAL A 33 23.509 -8.185 12.280 1.00 12.22 N ATOM 506 CA VAL A 33 22.525 -8.485 13.314 1.00 64.33 C ATOM 507 C VAL A 33 21.388 -9.335 12.759 1.00 34.23 C ATOM 508 O VAL A 33 20.239 -9.210 13.186 1.00 64.32 O ATOM 509 CB VAL A 33 21.940 -7.197 13.923 1.00 72.33 C ATOM 510 CG1 VAL A 33 21.255 -7.496 15.247 1.00 32.34 C ATOM 511 CG2 VAL A 33 23.028 -6.150 14.100 1.00 4.24 C ATOM 0 H VAL A 33 23.243 -7.426 11.653 1.00 12.22 H new ATOM 0 HA VAL A 33 23.044 -9.042 14.094 1.00 64.33 H new ATOM 0 HB VAL A 33 21.193 -6.798 13.237 1.00 72.33 H new ATOM 0 HG11 VAL A 33 20.848 -6.574 15.662 1.00 32.34 H new ATOM 0 HG12 VAL A 33 20.447 -8.209 15.086 1.00 32.34 H new ATOM 0 HG13 VAL A 33 21.979 -7.919 15.944 1.00 32.34 H new ATOM 0 HG21 VAL A 33 22.597 -5.247 14.531 1.00 4.24 H new ATOM 0 HG22 VAL A 33 23.800 -6.537 14.765 1.00 4.24 H new ATOM 0 HG23 VAL A 33 23.468 -5.915 13.131 1.00 4.24 H new ATOM 521 N LYS A 34 21.714 -10.201 11.806 1.00 53.03 N ATOM 522 CA LYS A 34 20.720 -11.075 11.192 1.00 4.44 C ATOM 523 C LYS A 34 19.519 -10.273 10.703 1.00 51.45 C ATOM 524 O LYS A 34 18.442 -10.295 11.299 1.00 61.41 O ATOM 525 CB LYS A 34 20.263 -12.140 12.191 1.00 72.54 C ATOM 526 CG LYS A 34 21.316 -13.196 12.479 1.00 5.33 C ATOM 527 CD LYS A 34 21.526 -14.115 11.288 1.00 60.12 C ATOM 528 CE LYS A 34 20.541 -15.274 11.298 1.00 51.00 C ATOM 529 NZ LYS A 34 21.085 -16.458 12.019 1.00 13.13 N ATOM 0 H LYS A 34 22.659 -10.317 11.441 1.00 53.03 H new ATOM 0 HA LYS A 34 21.182 -11.564 10.334 1.00 4.44 H new ATOM 0 HB2 LYS A 34 19.984 -11.653 13.125 1.00 72.54 H new ATOM 0 HB3 LYS A 34 19.368 -12.628 11.805 1.00 72.54 H new ATOM 0 HG2 LYS A 34 22.258 -12.711 12.736 1.00 5.33 H new ATOM 0 HG3 LYS A 34 21.014 -13.785 13.345 1.00 5.33 H new ATOM 0 HD2 LYS A 34 21.412 -13.547 10.364 1.00 60.12 H new ATOM 0 HD3 LYS A 34 22.545 -14.502 11.301 1.00 60.12 H new ATOM 0 HE2 LYS A 34 19.611 -14.957 11.771 1.00 51.00 H new ATOM 0 HE3 LYS A 34 20.298 -15.553 10.273 1.00 51.00 H new ATOM 0 HZ1 LYS A 34 20.384 -17.226 12.004 1.00 13.13 H new ATOM 0 HZ2 LYS A 34 21.958 -16.777 11.553 1.00 13.13 H new ATOM 0 HZ3 LYS A 34 21.293 -16.199 13.005 1.00 13.13 H new ATOM 543 N PRO A 35 19.704 -9.547 9.590 1.00 65.23 N ATOM 544 CA PRO A 35 18.646 -8.726 8.994 1.00 30.32 C ATOM 545 C PRO A 35 17.536 -9.570 8.377 1.00 61.12 C ATOM 546 O PRO A 35 17.670 -10.781 8.197 1.00 5.32 O ATOM 547 CB PRO A 35 19.380 -7.932 7.911 1.00 70.54 C ATOM 548 CG PRO A 35 20.559 -8.773 7.558 1.00 13.35 C ATOM 549 CD PRO A 35 20.962 -9.473 8.827 1.00 53.04 C ATOM 0 HA PRO A 35 18.148 -8.101 9.736 1.00 30.32 H new ATOM 0 HB2 PRO A 35 18.742 -7.761 7.044 1.00 70.54 H new ATOM 0 HB3 PRO A 35 19.688 -6.953 8.278 1.00 70.54 H new ATOM 0 HG2 PRO A 35 20.306 -9.492 6.779 1.00 13.35 H new ATOM 0 HG3 PRO A 35 21.375 -8.160 7.174 1.00 13.35 H new ATOM 0 HD2 PRO A 35 21.370 -10.464 8.627 1.00 53.04 H new ATOM 0 HD3 PRO A 35 21.728 -8.916 9.367 1.00 53.04 H new ATOM 557 N PRO A 36 16.412 -8.918 8.043 1.00 63.41 N ATOM 558 CA PRO A 36 15.257 -9.590 7.439 1.00 4.12 C ATOM 559 C PRO A 36 15.534 -10.046 6.011 1.00 73.33 C ATOM 560 O PRO A 36 16.587 -9.750 5.446 1.00 61.45 O ATOM 561 CB PRO A 36 14.172 -8.511 7.455 1.00 35.14 C ATOM 562 CG PRO A 36 14.918 -7.222 7.455 1.00 2.03 C ATOM 563 CD PRO A 36 16.183 -7.476 8.228 1.00 13.34 C ATOM 0 HA PRO A 36 14.984 -10.497 7.979 1.00 4.12 H new ATOM 0 HB2 PRO A 36 13.521 -8.591 6.584 1.00 35.14 H new ATOM 0 HB3 PRO A 36 13.537 -8.601 8.337 1.00 35.14 H new ATOM 0 HG2 PRO A 36 15.140 -6.900 6.438 1.00 2.03 H new ATOM 0 HG3 PRO A 36 14.329 -6.430 7.919 1.00 2.03 H new ATOM 0 HD2 PRO A 36 17.014 -6.885 7.844 1.00 13.34 H new ATOM 0 HD3 PRO A 36 16.069 -7.219 9.281 1.00 13.34 H new ATOM 571 N THR A 37 14.580 -10.769 5.430 1.00 5.23 N ATOM 572 CA THR A 37 14.721 -11.267 4.068 1.00 45.32 C ATOM 573 C THR A 37 13.956 -10.392 3.081 1.00 23.40 C ATOM 574 O THR A 37 14.526 -9.885 2.116 1.00 51.20 O ATOM 575 CB THR A 37 14.221 -12.718 3.946 1.00 72.35 C ATOM 576 OG1 THR A 37 14.895 -13.551 4.895 1.00 4.24 O ATOM 577 CG2 THR A 37 14.451 -13.254 2.540 1.00 4.44 C ATOM 0 H THR A 37 13.702 -11.022 5.883 1.00 5.23 H new ATOM 0 HA THR A 37 15.784 -11.236 3.828 1.00 45.32 H new ATOM 0 HB THR A 37 13.151 -12.727 4.151 1.00 72.35 H new ATOM 0 HG1 THR A 37 14.570 -14.472 4.811 1.00 4.24 H new ATOM 0 HG21 THR A 37 14.090 -14.281 2.478 1.00 4.44 H new ATOM 0 HG22 THR A 37 13.912 -12.636 1.822 1.00 4.44 H new ATOM 0 HG23 THR A 37 15.516 -13.230 2.311 1.00 4.44 H new ATOM 585 N ASN A 38 12.662 -10.220 3.330 1.00 21.21 N ATOM 586 CA ASN A 38 11.819 -9.406 2.463 1.00 75.24 C ATOM 587 C ASN A 38 10.863 -8.546 3.284 1.00 31.32 C ATOM 588 O ASN A 38 9.816 -8.120 2.795 1.00 24.30 O ATOM 589 CB ASN A 38 11.025 -10.298 1.505 1.00 2.22 C ATOM 590 CG ASN A 38 11.790 -10.603 0.232 1.00 60.12 C ATOM 591 OD1 ASN A 38 11.924 -9.749 -0.645 1.00 22.22 O ATOM 592 ND2 ASN A 38 12.296 -11.826 0.124 1.00 34.44 N ATOM 0 H ASN A 38 12.175 -10.633 4.125 1.00 21.21 H new ATOM 0 HA ASN A 38 12.466 -8.747 1.884 1.00 75.24 H new ATOM 0 HB2 ASN A 38 10.773 -11.232 2.007 1.00 2.22 H new ATOM 0 HB3 ASN A 38 10.085 -9.808 1.252 1.00 2.22 H new ATOM 0 HD21 ASN A 38 12.820 -12.089 -0.711 1.00 34.44 H new ATOM 0 HD22 ASN A 38 12.161 -12.502 0.876 1.00 34.44 H new ATOM 599 N LYS A 39 11.230 -8.294 4.536 1.00 62.21 N ATOM 600 CA LYS A 39 10.408 -7.484 5.427 1.00 41.34 C ATOM 601 C LYS A 39 11.257 -6.453 6.164 1.00 64.14 C ATOM 602 O LYS A 39 12.484 -6.449 6.050 1.00 10.10 O ATOM 603 CB LYS A 39 9.680 -8.376 6.435 1.00 4.31 C ATOM 604 CG LYS A 39 8.821 -9.449 5.789 1.00 1.41 C ATOM 605 CD LYS A 39 8.972 -10.785 6.496 1.00 4.03 C ATOM 606 CE LYS A 39 7.698 -11.611 6.406 1.00 42.30 C ATOM 607 NZ LYS A 39 7.704 -12.511 5.220 1.00 53.02 N ATOM 0 H LYS A 39 12.092 -8.640 4.957 1.00 62.21 H new ATOM 0 HA LYS A 39 9.672 -6.956 4.821 1.00 41.34 H new ATOM 0 HB2 LYS A 39 10.415 -8.853 7.083 1.00 4.31 H new ATOM 0 HB3 LYS A 39 9.051 -7.753 7.071 1.00 4.31 H new ATOM 0 HG2 LYS A 39 7.776 -9.141 5.810 1.00 1.41 H new ATOM 0 HG3 LYS A 39 9.100 -9.557 4.741 1.00 1.41 H new ATOM 0 HD2 LYS A 39 9.799 -11.340 6.054 1.00 4.03 H new ATOM 0 HD3 LYS A 39 9.225 -10.617 7.543 1.00 4.03 H new ATOM 0 HE2 LYS A 39 7.586 -12.206 7.313 1.00 42.30 H new ATOM 0 HE3 LYS A 39 6.836 -10.945 6.353 1.00 42.30 H new ATOM 0 HZ1 LYS A 39 6.819 -13.057 5.194 1.00 53.02 H new ATOM 0 HZ2 LYS A 39 7.786 -11.942 4.353 1.00 53.02 H new ATOM 0 HZ3 LYS A 39 8.511 -13.163 5.283 1.00 53.02 H new ATOM 621 N LEU A 40 10.599 -5.582 6.920 1.00 55.04 N ATOM 622 CA LEU A 40 11.294 -4.547 7.677 1.00 14.11 C ATOM 623 C LEU A 40 10.973 -4.653 9.165 1.00 65.24 C ATOM 624 O LEU A 40 9.964 -5.231 9.568 1.00 60.33 O ATOM 625 CB LEU A 40 10.907 -3.161 7.158 1.00 12.12 C ATOM 626 CG LEU A 40 9.475 -3.013 6.643 1.00 14.44 C ATOM 627 CD1 LEU A 40 8.978 -1.590 6.850 1.00 71.03 C ATOM 628 CD2 LEU A 40 9.393 -3.400 5.174 1.00 21.11 C ATOM 0 H LEU A 40 9.585 -5.572 7.025 1.00 55.04 H new ATOM 0 HA LEU A 40 12.366 -4.692 7.544 1.00 14.11 H new ATOM 0 HB2 LEU A 40 11.060 -2.439 7.960 1.00 12.12 H new ATOM 0 HB3 LEU A 40 11.591 -2.892 6.353 1.00 12.12 H new ATOM 0 HG LEU A 40 8.834 -3.687 7.211 1.00 14.44 H new ATOM 0 HD11 LEU A 40 7.957 -1.503 6.478 1.00 71.03 H new ATOM 0 HD12 LEU A 40 8.998 -1.348 7.913 1.00 71.03 H new ATOM 0 HD13 LEU A 40 9.622 -0.897 6.308 1.00 71.03 H new ATOM 0 HD21 LEU A 40 8.366 -3.288 4.825 1.00 21.11 H new ATOM 0 HD22 LEU A 40 10.047 -2.753 4.590 1.00 21.11 H new ATOM 0 HD23 LEU A 40 9.707 -4.437 5.053 1.00 21.11 H new ATOM 640 N PRO A 41 11.851 -4.080 10.001 1.00 24.55 N ATOM 641 CA PRO A 41 11.682 -4.095 11.458 1.00 43.15 C ATOM 642 C PRO A 41 10.523 -3.216 11.915 1.00 5.13 C ATOM 643 O PRO A 41 10.457 -2.034 11.576 1.00 4.14 O ATOM 644 CB PRO A 41 13.012 -3.539 11.975 1.00 74.35 C ATOM 645 CG PRO A 41 13.533 -2.704 10.857 1.00 44.12 C ATOM 646 CD PRO A 41 13.077 -3.374 9.591 1.00 75.23 C ATOM 0 HA PRO A 41 11.447 -5.092 11.832 1.00 43.15 H new ATOM 0 HB2 PRO A 41 12.869 -2.946 12.879 1.00 74.35 H new ATOM 0 HB3 PRO A 41 13.706 -4.341 12.227 1.00 74.35 H new ATOM 0 HG2 PRO A 41 13.149 -1.686 10.919 1.00 44.12 H new ATOM 0 HG3 PRO A 41 14.620 -2.638 10.893 1.00 44.12 H new ATOM 0 HD2 PRO A 41 12.878 -2.649 8.802 1.00 75.23 H new ATOM 0 HD3 PRO A 41 13.829 -4.064 9.208 1.00 75.23 H new ATOM 654 N ILE A 42 9.613 -3.800 12.687 1.00 52.14 N ATOM 655 CA ILE A 42 8.458 -3.068 13.192 1.00 74.43 C ATOM 656 C ILE A 42 8.400 -3.116 14.715 1.00 50.42 C ATOM 657 O ILE A 42 8.038 -4.135 15.302 1.00 72.42 O ATOM 658 CB ILE A 42 7.142 -3.631 12.622 1.00 50.33 C ATOM 659 CG1 ILE A 42 7.252 -3.808 11.106 1.00 70.10 C ATOM 660 CG2 ILE A 42 5.979 -2.714 12.970 1.00 1.32 C ATOM 661 CD1 ILE A 42 7.565 -2.525 10.369 1.00 64.14 C ATOM 0 H ILE A 42 9.653 -4.777 12.976 1.00 52.14 H new ATOM 0 HA ILE A 42 8.573 -2.034 12.867 1.00 74.43 H new ATOM 0 HB ILE A 42 6.957 -4.607 13.071 1.00 50.33 H new ATOM 0 HG12 ILE A 42 8.029 -4.541 10.889 1.00 70.10 H new ATOM 0 HG13 ILE A 42 6.315 -4.216 10.727 1.00 70.10 H new ATOM 0 HG21 ILE A 42 5.056 -3.125 12.560 1.00 1.32 H new ATOM 0 HG22 ILE A 42 5.891 -2.633 14.053 1.00 1.32 H new ATOM 0 HG23 ILE A 42 6.155 -1.726 12.546 1.00 1.32 H new ATOM 0 HD11 ILE A 42 7.628 -2.726 9.300 1.00 64.14 H new ATOM 0 HD12 ILE A 42 6.776 -1.797 10.555 1.00 64.14 H new ATOM 0 HD13 ILE A 42 8.517 -2.127 10.720 1.00 64.14 H new ATOM 673 N PHE A 43 8.758 -2.004 15.350 1.00 71.34 N ATOM 674 CA PHE A 43 8.746 -1.918 16.805 1.00 3.03 C ATOM 675 C PHE A 43 7.329 -1.700 17.326 1.00 74.31 C ATOM 676 O PHE A 43 6.760 -0.618 17.178 1.00 21.20 O ATOM 677 CB PHE A 43 9.655 -0.781 17.277 1.00 21.12 C ATOM 678 CG PHE A 43 9.907 -0.790 18.758 1.00 72.11 C ATOM 679 CD1 PHE A 43 10.350 -1.940 19.392 1.00 53.14 C ATOM 680 CD2 PHE A 43 9.701 0.351 19.516 1.00 40.21 C ATOM 681 CE1 PHE A 43 10.581 -1.951 20.754 1.00 23.01 C ATOM 682 CE2 PHE A 43 9.931 0.346 20.879 1.00 43.31 C ATOM 683 CZ PHE A 43 10.373 -0.806 21.498 1.00 21.34 C ATOM 0 H PHE A 43 9.060 -1.151 14.879 1.00 71.34 H new ATOM 0 HA PHE A 43 9.119 -2.862 17.203 1.00 3.03 H new ATOM 0 HB2 PHE A 43 10.609 -0.848 16.754 1.00 21.12 H new ATOM 0 HB3 PHE A 43 9.205 0.172 16.999 1.00 21.12 H new ATOM 0 HD1 PHE A 43 10.516 -2.838 18.815 1.00 53.14 H new ATOM 0 HD2 PHE A 43 9.357 1.255 19.036 1.00 40.21 H new ATOM 0 HE1 PHE A 43 10.924 -2.854 21.237 1.00 23.01 H new ATOM 0 HE2 PHE A 43 9.765 1.242 21.459 1.00 43.31 H new ATOM 0 HZ PHE A 43 10.556 -0.812 22.562 1.00 21.34 H new ATOM 693 N PHE A 44 6.763 -2.737 17.935 1.00 11.25 N ATOM 694 CA PHE A 44 5.411 -2.661 18.477 1.00 1.21 C ATOM 695 C PHE A 44 5.380 -1.814 19.746 1.00 25.01 C ATOM 696 O PHE A 44 5.965 -2.182 20.765 1.00 10.44 O ATOM 697 CB PHE A 44 4.878 -4.064 18.774 1.00 41.02 C ATOM 698 CG PHE A 44 4.006 -4.617 17.683 1.00 63.22 C ATOM 699 CD1 PHE A 44 4.566 -5.241 16.579 1.00 3.54 C ATOM 700 CD2 PHE A 44 2.627 -4.513 17.761 1.00 72.24 C ATOM 701 CE1 PHE A 44 3.767 -5.751 15.574 1.00 70.01 C ATOM 702 CE2 PHE A 44 1.823 -5.022 16.758 1.00 35.15 C ATOM 703 CZ PHE A 44 2.393 -5.641 15.663 1.00 3.43 C ATOM 0 H PHE A 44 7.220 -3.640 18.066 1.00 11.25 H new ATOM 0 HA PHE A 44 4.773 -2.188 17.730 1.00 1.21 H new ATOM 0 HB2 PHE A 44 5.720 -4.738 18.932 1.00 41.02 H new ATOM 0 HB3 PHE A 44 4.311 -4.039 19.704 1.00 41.02 H new ATOM 0 HD1 PHE A 44 5.640 -5.329 16.504 1.00 3.54 H new ATOM 0 HD2 PHE A 44 2.175 -4.029 18.614 1.00 72.24 H new ATOM 0 HE1 PHE A 44 4.216 -6.235 14.720 1.00 70.01 H new ATOM 0 HE2 PHE A 44 0.749 -4.935 16.831 1.00 35.15 H new ATOM 0 HZ PHE A 44 1.766 -6.038 14.878 1.00 3.43 H new ATOM 713 N PHE A 45 4.695 -0.678 19.676 1.00 50.24 N ATOM 714 CA PHE A 45 4.589 0.223 20.817 1.00 13.14 C ATOM 715 C PHE A 45 3.543 -0.278 21.810 1.00 44.22 C ATOM 716 O PHE A 45 2.483 -0.765 21.419 1.00 45.21 O ATOM 717 CB PHE A 45 4.228 1.634 20.349 1.00 44.43 C ATOM 718 CG PHE A 45 5.420 2.533 20.182 1.00 1.35 C ATOM 719 CD1 PHE A 45 6.370 2.640 21.186 1.00 73.52 C ATOM 720 CD2 PHE A 45 5.590 3.273 19.023 1.00 24.40 C ATOM 721 CE1 PHE A 45 7.468 3.466 21.036 1.00 72.41 C ATOM 722 CE2 PHE A 45 6.686 4.100 18.867 1.00 25.13 C ATOM 723 CZ PHE A 45 7.626 4.197 19.875 1.00 13.54 C ATOM 0 H PHE A 45 4.205 -0.359 18.840 1.00 50.24 H new ATOM 0 HA PHE A 45 5.557 0.250 21.317 1.00 13.14 H new ATOM 0 HB2 PHE A 45 3.696 1.569 19.400 1.00 44.43 H new ATOM 0 HB3 PHE A 45 3.542 2.082 21.068 1.00 44.43 H new ATOM 0 HD1 PHE A 45 6.251 2.071 22.096 1.00 73.52 H new ATOM 0 HD2 PHE A 45 4.858 3.203 18.232 1.00 24.40 H new ATOM 0 HE1 PHE A 45 8.201 3.540 21.825 1.00 72.41 H new ATOM 0 HE2 PHE A 45 6.808 4.670 17.958 1.00 25.13 H new ATOM 0 HZ PHE A 45 8.483 4.843 19.755 1.00 13.54 H new ATOM 733 N GLY A 46 3.851 -0.154 23.097 1.00 24.44 N ATOM 734 CA GLY A 46 2.930 -0.599 24.127 1.00 71.25 C ATOM 735 C GLY A 46 3.197 -2.025 24.567 1.00 2.44 C ATOM 736 O GLY A 46 3.068 -2.353 25.747 1.00 14.13 O ATOM 0 H GLY A 46 4.722 0.247 23.445 1.00 24.44 H new ATOM 0 HA2 GLY A 46 3.006 0.064 24.989 1.00 71.25 H new ATOM 0 HA3 GLY A 46 1.909 -0.522 23.754 1.00 71.25 H new ATOM 740 N THR A 47 3.570 -2.876 23.617 1.00 23.42 N ATOM 741 CA THR A 47 3.854 -4.275 23.913 1.00 74.12 C ATOM 742 C THR A 47 5.348 -4.564 23.826 1.00 11.54 C ATOM 743 O THR A 47 5.794 -5.674 24.117 1.00 71.12 O ATOM 744 CB THR A 47 3.104 -5.216 22.950 1.00 2.33 C ATOM 745 OG1 THR A 47 3.613 -5.062 21.621 1.00 73.35 O ATOM 746 CG2 THR A 47 1.611 -4.926 22.964 1.00 32.22 C ATOM 0 H THR A 47 3.683 -2.621 22.636 1.00 23.42 H new ATOM 0 HA THR A 47 3.510 -4.458 24.931 1.00 74.12 H new ATOM 0 HB THR A 47 3.261 -6.242 23.282 1.00 2.33 H new ATOM 0 HG1 THR A 47 3.133 -5.664 21.015 1.00 73.35 H new ATOM 0 HG21 THR A 47 1.103 -5.602 22.277 1.00 32.22 H new ATOM 0 HG22 THR A 47 1.221 -5.072 23.972 1.00 32.22 H new ATOM 0 HG23 THR A 47 1.438 -3.896 22.654 1.00 32.22 H new ATOM 754 N HIS A 48 6.118 -3.557 23.426 1.00 41.12 N ATOM 755 CA HIS A 48 7.564 -3.703 23.303 1.00 42.24 C ATOM 756 C HIS A 48 7.917 -4.934 22.473 1.00 3.15 C ATOM 757 O HIS A 48 8.938 -5.579 22.709 1.00 62.34 O ATOM 758 CB HIS A 48 8.208 -3.803 24.686 1.00 74.41 C ATOM 759 CG HIS A 48 8.263 -2.497 25.417 1.00 23.40 C ATOM 760 ND1 HIS A 48 8.201 -1.276 24.781 1.00 41.41 N ATOM 761 CD2 HIS A 48 8.374 -2.227 26.739 1.00 44.34 C ATOM 762 CE1 HIS A 48 8.273 -0.310 25.679 1.00 3.24 C ATOM 763 NE2 HIS A 48 8.379 -0.860 26.875 1.00 35.34 N ATOM 0 H HIS A 48 5.765 -2.632 23.182 1.00 41.12 H new ATOM 0 HA HIS A 48 7.951 -2.820 22.794 1.00 42.24 H new ATOM 0 HB2 HIS A 48 7.651 -4.523 25.286 1.00 74.41 H new ATOM 0 HB3 HIS A 48 9.220 -4.193 24.579 1.00 74.41 H new ATOM 0 HD2 HIS A 48 8.445 -2.951 27.537 1.00 44.34 H new ATOM 0 HE1 HIS A 48 8.249 0.749 25.471 1.00 3.24 H new ATOM 0 HE2 HIS A 48 8.453 -0.352 27.757 1.00 35.34 H new ATOM 771 N GLU A 49 7.065 -5.253 21.504 1.00 4.10 N ATOM 772 CA GLU A 49 7.288 -6.408 20.642 1.00 50.20 C ATOM 773 C GLU A 49 7.942 -5.988 19.328 1.00 35.34 C ATOM 774 O GLU A 49 8.142 -4.800 19.072 1.00 31.51 O ATOM 775 CB GLU A 49 5.966 -7.124 20.360 1.00 34.34 C ATOM 776 CG GLU A 49 5.270 -7.632 21.612 1.00 31.12 C ATOM 777 CD GLU A 49 3.978 -8.364 21.305 1.00 13.23 C ATOM 778 OE1 GLU A 49 3.629 -8.476 20.111 1.00 4.11 O ATOM 779 OE2 GLU A 49 3.315 -8.824 22.258 1.00 11.33 O ATOM 0 H GLU A 49 6.215 -4.729 21.296 1.00 4.10 H new ATOM 0 HA GLU A 49 7.960 -7.092 21.160 1.00 50.20 H new ATOM 0 HB2 GLU A 49 5.298 -6.442 19.834 1.00 34.34 H new ATOM 0 HB3 GLU A 49 6.153 -7.965 19.692 1.00 34.34 H new ATOM 0 HG2 GLU A 49 5.942 -8.300 22.151 1.00 31.12 H new ATOM 0 HG3 GLU A 49 5.059 -6.791 22.272 1.00 31.12 H new ATOM 786 N THR A 50 8.273 -6.972 18.498 1.00 30.42 N ATOM 787 CA THR A 50 8.905 -6.707 17.212 1.00 23.22 C ATOM 788 C THR A 50 8.583 -7.805 16.204 1.00 2.44 C ATOM 789 O THR A 50 8.830 -8.984 16.456 1.00 4.42 O ATOM 790 CB THR A 50 10.435 -6.587 17.352 1.00 34.33 C ATOM 791 OG1 THR A 50 11.055 -6.713 16.068 1.00 5.11 O ATOM 792 CG2 THR A 50 10.977 -7.655 18.290 1.00 5.23 C ATOM 0 H THR A 50 8.114 -7.960 18.694 1.00 30.42 H new ATOM 0 HA THR A 50 8.505 -5.759 16.853 1.00 23.22 H new ATOM 0 HB THR A 50 10.665 -5.607 17.771 1.00 34.33 H new ATOM 0 HG1 THR A 50 12.027 -6.634 16.165 1.00 5.11 H new ATOM 0 HG21 THR A 50 12.059 -7.551 18.374 1.00 5.23 H new ATOM 0 HG22 THR A 50 10.524 -7.538 19.275 1.00 5.23 H new ATOM 0 HG23 THR A 50 10.737 -8.642 17.895 1.00 5.23 H new ATOM 800 N ALA A 51 8.031 -7.409 15.062 1.00 31.12 N ATOM 801 CA ALA A 51 7.678 -8.360 14.015 1.00 13.50 C ATOM 802 C ALA A 51 8.174 -7.885 12.653 1.00 32.52 C ATOM 803 O ALA A 51 8.177 -6.689 12.365 1.00 41.42 O ATOM 804 CB ALA A 51 6.172 -8.576 13.984 1.00 11.44 C ATOM 0 H ALA A 51 7.819 -6.437 14.838 1.00 31.12 H new ATOM 0 HA ALA A 51 8.165 -9.309 14.240 1.00 13.50 H new ATOM 0 HB1 ALA A 51 5.923 -9.288 13.198 1.00 11.44 H new ATOM 0 HB2 ALA A 51 5.841 -8.967 14.946 1.00 11.44 H new ATOM 0 HB3 ALA A 51 5.672 -7.628 13.786 1.00 11.44 H new ATOM 810 N PHE A 52 8.593 -8.831 11.819 1.00 21.43 N ATOM 811 CA PHE A 52 9.093 -8.510 10.488 1.00 43.22 C ATOM 812 C PHE A 52 7.982 -8.620 9.448 1.00 11.41 C ATOM 813 O PHE A 52 7.544 -9.718 9.104 1.00 33.35 O ATOM 814 CB PHE A 52 10.249 -9.441 10.116 1.00 41.25 C ATOM 815 CG PHE A 52 11.558 -9.051 10.740 1.00 1.24 C ATOM 816 CD1 PHE A 52 12.044 -7.760 10.614 1.00 41.44 C ATOM 817 CD2 PHE A 52 12.303 -9.976 11.454 1.00 12.13 C ATOM 818 CE1 PHE A 52 13.248 -7.397 11.188 1.00 61.32 C ATOM 819 CE2 PHE A 52 13.507 -9.619 12.031 1.00 62.30 C ATOM 820 CZ PHE A 52 13.981 -8.329 11.897 1.00 40.15 C ATOM 0 H PHE A 52 8.596 -9.826 12.042 1.00 21.43 H new ATOM 0 HA PHE A 52 9.454 -7.481 10.501 1.00 43.22 H new ATOM 0 HB2 PHE A 52 9.999 -10.457 10.421 1.00 41.25 H new ATOM 0 HB3 PHE A 52 10.362 -9.452 9.032 1.00 41.25 H new ATOM 0 HD1 PHE A 52 11.475 -7.028 10.060 1.00 41.44 H new ATOM 0 HD2 PHE A 52 11.939 -10.987 11.561 1.00 12.13 H new ATOM 0 HE1 PHE A 52 13.615 -6.387 11.082 1.00 61.32 H new ATOM 0 HE2 PHE A 52 14.077 -10.349 12.587 1.00 62.30 H new ATOM 0 HZ PHE A 52 14.923 -8.049 12.346 1.00 40.15 H new ATOM 830 N LEU A 53 7.530 -7.474 8.951 1.00 13.43 N ATOM 831 CA LEU A 53 6.469 -7.439 7.951 1.00 74.13 C ATOM 832 C LEU A 53 6.835 -6.508 6.800 1.00 44.31 C ATOM 833 O LEU A 53 7.270 -5.378 7.017 1.00 44.41 O ATOM 834 CB LEU A 53 5.154 -6.987 8.589 1.00 72.15 C ATOM 835 CG LEU A 53 4.817 -7.609 9.944 1.00 75.30 C ATOM 836 CD1 LEU A 53 3.728 -6.809 10.642 1.00 30.45 C ATOM 837 CD2 LEU A 53 4.389 -9.060 9.773 1.00 11.24 C ATOM 0 H LEU A 53 7.882 -6.556 9.224 1.00 13.43 H new ATOM 0 HA LEU A 53 6.346 -8.446 7.554 1.00 74.13 H new ATOM 0 HB2 LEU A 53 5.184 -5.904 8.706 1.00 72.15 H new ATOM 0 HB3 LEU A 53 4.342 -7.210 7.897 1.00 72.15 H new ATOM 0 HG LEU A 53 5.712 -7.586 10.566 1.00 75.30 H new ATOM 0 HD11 LEU A 53 3.501 -7.266 11.605 1.00 30.45 H new ATOM 0 HD12 LEU A 53 4.071 -5.786 10.798 1.00 30.45 H new ATOM 0 HD13 LEU A 53 2.830 -6.800 10.024 1.00 30.45 H new ATOM 0 HD21 LEU A 53 4.153 -9.487 10.748 1.00 11.24 H new ATOM 0 HD22 LEU A 53 3.508 -9.106 9.133 1.00 11.24 H new ATOM 0 HD23 LEU A 53 5.200 -9.627 9.315 1.00 11.24 H new ATOM 849 N GLY A 54 6.655 -6.990 5.574 1.00 35.00 N ATOM 850 CA GLY A 54 6.969 -6.187 4.407 1.00 43.01 C ATOM 851 C GLY A 54 6.152 -4.912 4.343 1.00 74.34 C ATOM 852 O GLY A 54 5.339 -4.626 5.222 1.00 40.40 O ATOM 0 H GLY A 54 6.297 -7.923 5.368 1.00 35.00 H new ATOM 0 HA2 GLY A 54 8.029 -5.935 4.418 1.00 43.01 H new ATOM 0 HA3 GLY A 54 6.790 -6.775 3.507 1.00 43.01 H new ATOM 856 N PRO A 55 6.365 -4.121 3.281 1.00 51.21 N ATOM 857 CA PRO A 55 5.652 -2.856 3.080 1.00 15.14 C ATOM 858 C PRO A 55 4.178 -3.067 2.750 1.00 20.50 C ATOM 859 O PRO A 55 3.313 -2.329 3.222 1.00 71.33 O ATOM 860 CB PRO A 55 6.380 -2.222 1.893 1.00 62.12 C ATOM 861 CG PRO A 55 6.970 -3.372 1.153 1.00 65.52 C ATOM 862 CD PRO A 55 7.318 -4.400 2.194 1.00 24.01 C ATOM 0 HA PRO A 55 5.656 -2.239 3.979 1.00 15.14 H new ATOM 0 HB2 PRO A 55 5.693 -1.657 1.263 1.00 62.12 H new ATOM 0 HB3 PRO A 55 7.151 -1.528 2.226 1.00 62.12 H new ATOM 0 HG2 PRO A 55 6.262 -3.774 0.429 1.00 65.52 H new ATOM 0 HG3 PRO A 55 7.856 -3.065 0.596 1.00 65.52 H new ATOM 0 HD2 PRO A 55 7.205 -5.414 1.811 1.00 24.01 H new ATOM 0 HD3 PRO A 55 8.350 -4.299 2.529 1.00 24.01 H new ATOM 870 N LYS A 56 3.898 -4.081 1.937 1.00 3.50 N ATOM 871 CA LYS A 56 2.529 -4.391 1.544 1.00 30.32 C ATOM 872 C LYS A 56 1.718 -4.881 2.740 1.00 53.43 C ATOM 873 O LYS A 56 0.491 -4.958 2.679 1.00 35.12 O ATOM 874 CB LYS A 56 2.521 -5.452 0.441 1.00 43.32 C ATOM 875 CG LYS A 56 2.924 -4.915 -0.922 1.00 3.24 C ATOM 876 CD LYS A 56 3.588 -5.987 -1.770 1.00 12.04 C ATOM 877 CE LYS A 56 3.175 -5.878 -3.229 1.00 43.45 C ATOM 878 NZ LYS A 56 1.727 -6.166 -3.420 1.00 13.24 N ATOM 0 H LYS A 56 4.602 -4.702 1.538 1.00 3.50 H new ATOM 0 HA LYS A 56 2.071 -3.478 1.165 1.00 30.32 H new ATOM 0 HB2 LYS A 56 3.199 -6.259 0.719 1.00 43.32 H new ATOM 0 HB3 LYS A 56 1.523 -5.884 0.371 1.00 43.32 H new ATOM 0 HG2 LYS A 56 2.043 -4.535 -1.439 1.00 3.24 H new ATOM 0 HG3 LYS A 56 3.607 -4.075 -0.796 1.00 3.24 H new ATOM 0 HD2 LYS A 56 4.671 -5.897 -1.690 1.00 12.04 H new ATOM 0 HD3 LYS A 56 3.321 -6.972 -1.388 1.00 12.04 H new ATOM 0 HE2 LYS A 56 3.397 -4.876 -3.595 1.00 43.45 H new ATOM 0 HE3 LYS A 56 3.765 -6.573 -3.826 1.00 43.45 H new ATOM 0 HZ1 LYS A 56 1.564 -6.497 -4.392 1.00 13.24 H new ATOM 0 HZ2 LYS A 56 1.428 -6.902 -2.749 1.00 13.24 H new ATOM 0 HZ3 LYS A 56 1.176 -5.300 -3.252 1.00 13.24 H new ATOM 892 N ASP A 57 2.411 -5.208 3.825 1.00 54.12 N ATOM 893 CA ASP A 57 1.754 -5.687 5.036 1.00 70.25 C ATOM 894 C ASP A 57 1.470 -4.534 5.992 1.00 13.44 C ATOM 895 O ASP A 57 0.472 -4.545 6.714 1.00 1.23 O ATOM 896 CB ASP A 57 2.621 -6.740 5.729 1.00 54.51 C ATOM 897 CG ASP A 57 2.253 -8.153 5.320 1.00 3.54 C ATOM 898 OD1 ASP A 57 2.597 -8.552 4.188 1.00 42.52 O ATOM 899 OD2 ASP A 57 1.623 -8.860 6.134 1.00 52.25 O ATOM 0 H ASP A 57 3.427 -5.150 3.891 1.00 54.12 H new ATOM 0 HA ASP A 57 0.805 -6.140 4.751 1.00 70.25 H new ATOM 0 HB2 ASP A 57 3.669 -6.557 5.491 1.00 54.51 H new ATOM 0 HB3 ASP A 57 2.517 -6.639 6.809 1.00 54.51 H new ATOM 904 N ILE A 58 2.353 -3.541 5.993 1.00 12.11 N ATOM 905 CA ILE A 58 2.196 -2.380 6.861 1.00 23.52 C ATOM 906 C ILE A 58 1.415 -1.273 6.163 1.00 51.22 C ATOM 907 O ILE A 58 1.636 -0.990 4.985 1.00 4.43 O ATOM 908 CB ILE A 58 3.561 -1.826 7.311 1.00 52.31 C ATOM 909 CG1 ILE A 58 4.441 -1.528 6.095 1.00 73.30 C ATOM 910 CG2 ILE A 58 4.251 -2.810 8.243 1.00 4.43 C ATOM 911 CD1 ILE A 58 5.732 -0.820 6.442 1.00 74.30 C ATOM 0 H ILE A 58 3.184 -3.517 5.403 1.00 12.11 H new ATOM 0 HA ILE A 58 1.641 -2.714 7.738 1.00 23.52 H new ATOM 0 HB ILE A 58 3.398 -0.895 7.854 1.00 52.31 H new ATOM 0 HG12 ILE A 58 4.674 -2.464 5.588 1.00 73.30 H new ATOM 0 HG13 ILE A 58 3.878 -0.915 5.391 1.00 73.30 H new ATOM 0 HG21 ILE A 58 5.214 -2.404 8.552 1.00 4.43 H new ATOM 0 HG22 ILE A 58 3.628 -2.976 9.122 1.00 4.43 H new ATOM 0 HG23 ILE A 58 4.406 -3.756 7.724 1.00 4.43 H new ATOM 0 HD11 ILE A 58 6.305 -0.641 5.532 1.00 74.30 H new ATOM 0 HD12 ILE A 58 5.507 0.132 6.922 1.00 74.30 H new ATOM 0 HD13 ILE A 58 6.316 -1.440 7.122 1.00 74.30 H new ATOM 923 N PHE A 59 0.501 -0.648 6.897 1.00 15.21 N ATOM 924 CA PHE A 59 -0.314 0.430 6.349 1.00 41.42 C ATOM 925 C PHE A 59 -0.094 1.726 7.124 1.00 41.33 C ATOM 926 O PHE A 59 0.411 1.730 8.247 1.00 74.32 O ATOM 927 CB PHE A 59 -1.795 0.048 6.383 1.00 21.51 C ATOM 928 CG PHE A 59 -2.290 -0.548 5.096 1.00 31.23 C ATOM 929 CD1 PHE A 59 -1.872 -1.806 4.694 1.00 71.41 C ATOM 930 CD2 PHE A 59 -3.173 0.150 4.289 1.00 53.32 C ATOM 931 CE1 PHE A 59 -2.326 -2.358 3.511 1.00 51.25 C ATOM 932 CE2 PHE A 59 -3.631 -0.396 3.105 1.00 60.13 C ATOM 933 CZ PHE A 59 -3.206 -1.651 2.714 1.00 20.05 C ATOM 0 H PHE A 59 0.306 -0.869 7.873 1.00 15.21 H new ATOM 0 HA PHE A 59 -0.011 0.590 5.314 1.00 41.42 H new ATOM 0 HB2 PHE A 59 -1.960 -0.665 7.191 1.00 21.51 H new ATOM 0 HB3 PHE A 59 -2.385 0.935 6.614 1.00 21.51 H new ATOM 0 HD1 PHE A 59 -1.183 -2.362 5.312 1.00 71.41 H new ATOM 0 HD2 PHE A 59 -3.507 1.132 4.588 1.00 53.32 H new ATOM 0 HE1 PHE A 59 -1.993 -3.340 3.210 1.00 51.25 H new ATOM 0 HE2 PHE A 59 -4.321 0.158 2.486 1.00 60.13 H new ATOM 0 HZ PHE A 59 -3.561 -2.078 1.788 1.00 20.05 H new ATOM 943 N PRO A 60 -0.481 2.855 6.510 1.00 22.35 N ATOM 944 CA PRO A 60 -0.336 4.178 7.124 1.00 51.45 C ATOM 945 C PRO A 60 -1.283 4.378 8.302 1.00 52.11 C ATOM 946 O PRO A 60 -2.480 4.107 8.202 1.00 51.44 O ATOM 947 CB PRO A 60 -0.690 5.138 5.984 1.00 33.44 C ATOM 948 CG PRO A 60 -1.574 4.346 5.084 1.00 74.03 C ATOM 949 CD PRO A 60 -1.090 2.925 5.172 1.00 43.34 C ATOM 0 HA PRO A 60 0.662 4.330 7.534 1.00 51.45 H new ATOM 0 HB2 PRO A 60 -1.199 6.026 6.358 1.00 33.44 H new ATOM 0 HB3 PRO A 60 0.204 5.479 5.462 1.00 33.44 H new ATOM 0 HG2 PRO A 60 -2.616 4.423 5.394 1.00 74.03 H new ATOM 0 HG3 PRO A 60 -1.518 4.714 4.060 1.00 74.03 H new ATOM 0 HD2 PRO A 60 -1.909 2.214 5.066 1.00 43.34 H new ATOM 0 HD3 PRO A 60 -0.367 2.697 4.389 1.00 43.34 H new ATOM 957 N TYR A 61 -0.740 4.853 9.417 1.00 12.51 N ATOM 958 CA TYR A 61 -1.537 5.088 10.616 1.00 70.45 C ATOM 959 C TYR A 61 -2.601 6.151 10.363 1.00 13.10 C ATOM 960 O TYR A 61 -3.554 6.286 11.130 1.00 13.23 O ATOM 961 CB TYR A 61 -0.637 5.516 11.776 1.00 72.01 C ATOM 962 CG TYR A 61 -0.626 7.009 12.014 1.00 43.10 C ATOM 963 CD1 TYR A 61 0.079 7.861 11.173 1.00 54.43 C ATOM 964 CD2 TYR A 61 -1.320 7.568 13.080 1.00 34.40 C ATOM 965 CE1 TYR A 61 0.092 9.226 11.387 1.00 23.11 C ATOM 966 CE2 TYR A 61 -1.313 8.931 13.301 1.00 14.32 C ATOM 967 CZ TYR A 61 -0.605 9.756 12.452 1.00 13.13 C ATOM 968 OH TYR A 61 -0.595 11.115 12.668 1.00 12.14 O ATOM 0 H TYR A 61 0.249 5.083 9.516 1.00 12.51 H new ATOM 0 HA TYR A 61 -2.037 4.155 10.878 1.00 70.45 H new ATOM 0 HB2 TYR A 61 -0.967 5.014 12.685 1.00 72.01 H new ATOM 0 HB3 TYR A 61 0.381 5.180 11.578 1.00 72.01 H new ATOM 0 HD1 TYR A 61 0.626 7.449 10.338 1.00 54.43 H new ATOM 0 HD2 TYR A 61 -1.875 6.925 13.747 1.00 34.40 H new ATOM 0 HE1 TYR A 61 0.645 9.874 10.724 1.00 23.11 H new ATOM 0 HE2 TYR A 61 -1.859 9.349 14.134 1.00 14.32 H new ATOM 0 HH TYR A 61 0.102 11.338 13.320 1.00 12.14 H new ATOM 978 N SER A 62 -2.431 6.904 9.281 1.00 72.12 N ATOM 979 CA SER A 62 -3.374 7.958 8.927 1.00 54.21 C ATOM 980 C SER A 62 -4.735 7.371 8.565 1.00 70.32 C ATOM 981 O SER A 62 -5.745 8.074 8.562 1.00 61.43 O ATOM 982 CB SER A 62 -2.835 8.783 7.757 1.00 64.00 C ATOM 983 OG SER A 62 -3.437 10.065 7.716 1.00 74.24 O ATOM 0 H SER A 62 -1.649 6.804 8.634 1.00 72.12 H new ATOM 0 HA SER A 62 -3.496 8.607 9.794 1.00 54.21 H new ATOM 0 HB2 SER A 62 -1.754 8.888 7.850 1.00 64.00 H new ATOM 0 HB3 SER A 62 -3.025 8.259 6.820 1.00 64.00 H new ATOM 0 HG SER A 62 -3.074 10.573 6.960 1.00 74.24 H new ATOM 989 N GLU A 63 -4.752 6.077 8.260 1.00 21.21 N ATOM 990 CA GLU A 63 -5.988 5.395 7.895 1.00 20.44 C ATOM 991 C GLU A 63 -6.626 4.735 9.115 1.00 43.40 C ATOM 992 O GLU A 63 -7.848 4.707 9.250 1.00 11.32 O ATOM 993 CB GLU A 63 -5.717 4.343 6.817 1.00 54.51 C ATOM 994 CG GLU A 63 -5.548 4.929 5.425 1.00 12.11 C ATOM 995 CD GLU A 63 -6.872 5.290 4.779 1.00 22.11 C ATOM 996 OE1 GLU A 63 -7.674 4.369 4.516 1.00 24.04 O ATOM 997 OE2 GLU A 63 -7.106 6.492 4.536 1.00 1.12 O ATOM 0 H GLU A 63 -3.925 5.481 8.258 1.00 21.21 H new ATOM 0 HA GLU A 63 -6.681 6.139 7.501 1.00 20.44 H new ATOM 0 HB2 GLU A 63 -4.816 3.788 7.081 1.00 54.51 H new ATOM 0 HB3 GLU A 63 -6.540 3.628 6.804 1.00 54.51 H new ATOM 0 HG2 GLU A 63 -4.922 5.819 5.483 1.00 12.11 H new ATOM 0 HG3 GLU A 63 -5.024 4.211 4.794 1.00 12.11 H new ATOM 1004 N ASN A 64 -5.788 4.205 10.000 1.00 45.50 N ATOM 1005 CA ASN A 64 -6.269 3.545 11.208 1.00 5.10 C ATOM 1006 C ASN A 64 -6.629 4.568 12.281 1.00 42.53 C ATOM 1007 O ASN A 64 -7.704 4.507 12.877 1.00 12.21 O ATOM 1008 CB ASN A 64 -5.209 2.580 11.743 1.00 4.24 C ATOM 1009 CG ASN A 64 -4.883 1.475 10.758 1.00 64.23 C ATOM 1010 OD1 ASN A 64 -4.007 1.626 9.906 1.00 25.31 O ATOM 1011 ND2 ASN A 64 -5.589 0.356 10.869 1.00 24.44 N ATOM 0 H ASN A 64 -4.773 4.220 9.903 1.00 45.50 H new ATOM 0 HA ASN A 64 -7.167 2.983 10.952 1.00 5.10 H new ATOM 0 HB2 ASN A 64 -4.300 3.135 11.975 1.00 4.24 H new ATOM 0 HB3 ASN A 64 -5.561 2.139 12.676 1.00 4.24 H new ATOM 0 HD21 ASN A 64 -5.415 -0.422 10.233 1.00 24.44 H new ATOM 0 HD22 ASN A 64 -6.306 0.275 11.590 1.00 24.44 H new ATOM 1018 N LYS A 65 -5.722 5.510 12.521 1.00 73.32 N ATOM 1019 CA LYS A 65 -5.943 6.549 13.520 1.00 74.43 C ATOM 1020 C LYS A 65 -7.240 7.302 13.243 1.00 52.52 C ATOM 1021 O LYS A 65 -7.873 7.825 14.160 1.00 24.41 O ATOM 1022 CB LYS A 65 -4.766 7.527 13.538 1.00 74.45 C ATOM 1023 CG LYS A 65 -4.803 8.542 12.409 1.00 44.41 C ATOM 1024 CD LYS A 65 -5.491 9.828 12.837 1.00 20.42 C ATOM 1025 CE LYS A 65 -4.973 11.025 12.055 1.00 24.23 C ATOM 1026 NZ LYS A 65 -5.477 11.033 10.654 1.00 14.14 N ATOM 0 H LYS A 65 -4.827 5.575 12.037 1.00 73.32 H new ATOM 0 HA LYS A 65 -6.023 6.069 14.496 1.00 74.43 H new ATOM 0 HB2 LYS A 65 -4.758 8.056 14.491 1.00 74.45 H new ATOM 0 HB3 LYS A 65 -3.835 6.963 13.479 1.00 74.45 H new ATOM 0 HG2 LYS A 65 -3.786 8.763 12.084 1.00 44.41 H new ATOM 0 HG3 LYS A 65 -5.326 8.116 11.553 1.00 44.41 H new ATOM 0 HD2 LYS A 65 -6.567 9.733 12.688 1.00 20.42 H new ATOM 0 HD3 LYS A 65 -5.330 9.991 13.903 1.00 20.42 H new ATOM 0 HE2 LYS A 65 -5.277 11.945 12.555 1.00 24.23 H new ATOM 0 HE3 LYS A 65 -3.883 11.011 12.049 1.00 24.23 H new ATOM 0 HZ1 LYS A 65 -5.101 11.864 10.155 1.00 14.14 H new ATOM 0 HZ2 LYS A 65 -5.166 10.168 10.168 1.00 14.14 H new ATOM 0 HZ3 LYS A 65 -6.516 11.073 10.659 1.00 14.14 H new ATOM 1040 N GLU A 66 -7.630 7.353 11.973 1.00 54.31 N ATOM 1041 CA GLU A 66 -8.853 8.043 11.577 1.00 3.01 C ATOM 1042 C GLU A 66 -10.066 7.129 11.727 1.00 42.50 C ATOM 1043 O GLU A 66 -11.205 7.594 11.781 1.00 3.01 O ATOM 1044 CB GLU A 66 -8.744 8.531 10.131 1.00 3.31 C ATOM 1045 CG GLU A 66 -9.890 9.433 9.705 1.00 2.53 C ATOM 1046 CD GLU A 66 -9.487 10.419 8.625 1.00 25.35 C ATOM 1047 OE1 GLU A 66 -9.374 10.000 7.454 1.00 5.50 O ATOM 1048 OE2 GLU A 66 -9.284 11.607 8.951 1.00 22.13 O ATOM 0 H GLU A 66 -7.118 6.925 11.202 1.00 54.31 H new ATOM 0 HA GLU A 66 -8.984 8.903 12.234 1.00 3.01 H new ATOM 0 HB2 GLU A 66 -7.804 9.069 10.008 1.00 3.31 H new ATOM 0 HB3 GLU A 66 -8.706 7.668 9.467 1.00 3.31 H new ATOM 0 HG2 GLU A 66 -10.715 8.819 9.342 1.00 2.53 H new ATOM 0 HG3 GLU A 66 -10.258 9.981 10.573 1.00 2.53 H new ATOM 1055 N LYS A 67 -9.813 5.827 11.793 1.00 73.41 N ATOM 1056 CA LYS A 67 -10.883 4.846 11.937 1.00 25.11 C ATOM 1057 C LYS A 67 -11.404 4.817 13.370 1.00 34.31 C ATOM 1058 O LYS A 67 -12.586 5.061 13.616 1.00 41.23 O ATOM 1059 CB LYS A 67 -10.385 3.455 11.536 1.00 44.50 C ATOM 1060 CG LYS A 67 -10.307 3.247 10.033 1.00 4.45 C ATOM 1061 CD LYS A 67 -11.625 2.742 9.471 1.00 1.33 C ATOM 1062 CE LYS A 67 -11.667 1.222 9.430 1.00 53.52 C ATOM 1063 NZ LYS A 67 -12.952 0.719 8.870 1.00 62.43 N ATOM 0 H LYS A 67 -8.876 5.426 11.749 1.00 73.41 H new ATOM 0 HA LYS A 67 -11.700 5.137 11.277 1.00 25.11 H new ATOM 0 HB2 LYS A 67 -9.398 3.293 11.969 1.00 44.50 H new ATOM 0 HB3 LYS A 67 -11.048 2.703 11.965 1.00 44.50 H new ATOM 0 HG2 LYS A 67 -10.040 4.186 9.548 1.00 4.45 H new ATOM 0 HG3 LYS A 67 -9.516 2.533 9.804 1.00 4.45 H new ATOM 0 HD2 LYS A 67 -12.448 3.114 10.081 1.00 1.33 H new ATOM 0 HD3 LYS A 67 -11.769 3.138 8.466 1.00 1.33 H new ATOM 0 HE2 LYS A 67 -10.838 0.852 8.827 1.00 53.52 H new ATOM 0 HE3 LYS A 67 -11.530 0.827 10.437 1.00 53.52 H new ATOM 0 HZ1 LYS A 67 -12.942 -0.321 8.858 1.00 62.43 H new ATOM 0 HZ2 LYS A 67 -13.741 1.051 9.460 1.00 62.43 H new ATOM 0 HZ3 LYS A 67 -13.071 1.075 7.900 1.00 62.43 H new ATOM 1077 N TYR A 68 -10.517 4.518 14.312 1.00 61.20 N ATOM 1078 CA TYR A 68 -10.889 4.456 15.721 1.00 43.05 C ATOM 1079 C TYR A 68 -9.930 5.281 16.574 1.00 52.34 C ATOM 1080 O TYR A 68 -10.273 5.710 17.675 1.00 51.25 O ATOM 1081 CB TYR A 68 -10.899 3.005 16.204 1.00 63.22 C ATOM 1082 CG TYR A 68 -10.962 1.993 15.082 1.00 44.33 C ATOM 1083 CD1 TYR A 68 -12.179 1.619 14.525 1.00 5.11 C ATOM 1084 CD2 TYR A 68 -9.805 1.411 14.579 1.00 43.11 C ATOM 1085 CE1 TYR A 68 -12.241 0.695 13.500 1.00 31.22 C ATOM 1086 CE2 TYR A 68 -9.858 0.487 13.553 1.00 4.23 C ATOM 1087 CZ TYR A 68 -11.078 0.132 13.017 1.00 10.24 C ATOM 1088 OH TYR A 68 -11.135 -0.789 11.997 1.00 51.13 O ATOM 0 H TYR A 68 -9.535 4.315 14.126 1.00 61.20 H new ATOM 0 HA TYR A 68 -11.891 4.873 15.825 1.00 43.05 H new ATOM 0 HB2 TYR A 68 -10.003 2.822 16.797 1.00 63.22 H new ATOM 0 HB3 TYR A 68 -11.754 2.857 16.864 1.00 63.22 H new ATOM 0 HD1 TYR A 68 -13.092 2.058 14.900 1.00 5.11 H new ATOM 0 HD2 TYR A 68 -8.848 1.686 14.997 1.00 43.11 H new ATOM 0 HE1 TYR A 68 -13.195 0.415 13.079 1.00 31.22 H new ATOM 0 HE2 TYR A 68 -8.949 0.045 13.173 1.00 4.23 H new ATOM 0 HH TYR A 68 -10.228 -1.087 11.774 1.00 51.13 H new ATOM 1098 N GLY A 69 -8.725 5.500 16.055 1.00 15.33 N ATOM 1099 CA GLY A 69 -7.735 6.274 16.781 1.00 20.41 C ATOM 1100 C GLY A 69 -7.103 5.489 17.913 1.00 24.04 C ATOM 1101 O GLY A 69 -6.060 5.877 18.442 1.00 72.35 O ATOM 0 H GLY A 69 -8.417 5.155 15.146 1.00 15.33 H new ATOM 0 HA2 GLY A 69 -6.957 6.602 16.091 1.00 20.41 H new ATOM 0 HA3 GLY A 69 -8.204 7.172 17.183 1.00 20.41 H new ATOM 1105 N LYS A 70 -7.735 4.382 18.289 1.00 3.44 N ATOM 1106 CA LYS A 70 -7.229 3.540 19.367 1.00 43.31 C ATOM 1107 C LYS A 70 -7.617 2.082 19.146 1.00 60.14 C ATOM 1108 O LYS A 70 -8.546 1.768 18.402 1.00 75.12 O ATOM 1109 CB LYS A 70 -7.767 4.024 20.715 1.00 33.54 C ATOM 1110 CG LYS A 70 -9.193 4.543 20.650 1.00 32.31 C ATOM 1111 CD LYS A 70 -9.789 4.711 22.038 1.00 74.04 C ATOM 1112 CE LYS A 70 -11.296 4.500 22.026 1.00 24.13 C ATOM 1113 NZ LYS A 70 -12.032 5.770 21.778 1.00 41.14 N ATOM 0 H LYS A 70 -8.599 4.047 17.863 1.00 3.44 H new ATOM 0 HA LYS A 70 -6.141 3.611 19.370 1.00 43.31 H new ATOM 0 HB2 LYS A 70 -7.720 3.204 21.431 1.00 33.54 H new ATOM 0 HB3 LYS A 70 -7.118 4.814 21.093 1.00 33.54 H new ATOM 0 HG2 LYS A 70 -9.210 5.500 20.128 1.00 32.31 H new ATOM 0 HG3 LYS A 70 -9.806 3.853 20.071 1.00 32.31 H new ATOM 0 HD2 LYS A 70 -9.326 4.000 22.722 1.00 74.04 H new ATOM 0 HD3 LYS A 70 -9.563 5.709 22.414 1.00 74.04 H new ATOM 0 HE2 LYS A 70 -11.555 3.774 21.255 1.00 24.13 H new ATOM 0 HE3 LYS A 70 -11.611 4.078 22.980 1.00 24.13 H new ATOM 0 HZ1 LYS A 70 -13.055 5.584 21.777 1.00 41.14 H new ATOM 0 HZ2 LYS A 70 -11.805 6.455 22.527 1.00 41.14 H new ATOM 0 HZ3 LYS A 70 -11.751 6.160 20.856 1.00 41.14 H new ATOM 1127 N PRO A 71 -6.891 1.168 19.807 1.00 43.43 N ATOM 1128 CA PRO A 71 -7.142 -0.272 19.699 1.00 15.25 C ATOM 1129 C PRO A 71 -8.449 -0.683 20.369 1.00 74.22 C ATOM 1130 O PRO A 71 -8.828 -0.134 21.402 1.00 2.14 O ATOM 1131 CB PRO A 71 -5.949 -0.896 20.428 1.00 53.34 C ATOM 1132 CG PRO A 71 -5.498 0.154 21.384 1.00 62.15 C ATOM 1133 CD PRO A 71 -5.768 1.471 20.710 1.00 10.13 C ATOM 0 HA PRO A 71 -7.240 -0.592 18.662 1.00 15.25 H new ATOM 0 HB2 PRO A 71 -6.237 -1.809 20.949 1.00 53.34 H new ATOM 0 HB3 PRO A 71 -5.155 -1.164 19.731 1.00 53.34 H new ATOM 0 HG2 PRO A 71 -6.038 0.081 22.328 1.00 62.15 H new ATOM 0 HG3 PRO A 71 -4.438 0.043 21.614 1.00 62.15 H new ATOM 0 HD2 PRO A 71 -6.030 2.245 21.431 1.00 10.13 H new ATOM 0 HD3 PRO A 71 -4.896 1.828 20.162 1.00 10.13 H new ATOM 1141 N ASN A 72 -9.134 -1.653 19.772 1.00 35.43 N ATOM 1142 CA ASN A 72 -10.400 -2.138 20.312 1.00 62.45 C ATOM 1143 C ASN A 72 -10.190 -3.406 21.134 1.00 34.02 C ATOM 1144 O ASN A 72 -10.538 -3.458 22.314 1.00 22.43 O ATOM 1145 CB ASN A 72 -11.390 -2.411 19.178 1.00 54.43 C ATOM 1146 CG ASN A 72 -12.831 -2.385 19.650 1.00 12.00 C ATOM 1147 OD1 ASN A 72 -13.423 -3.428 19.930 1.00 2.54 O ATOM 1148 ND2 ASN A 72 -13.403 -1.190 19.740 1.00 1.20 N ATOM 0 H ASN A 72 -8.835 -2.118 18.915 1.00 35.43 H new ATOM 0 HA ASN A 72 -10.808 -1.366 20.964 1.00 62.45 H new ATOM 0 HB2 ASN A 72 -11.254 -1.667 18.394 1.00 54.43 H new ATOM 0 HB3 ASN A 72 -11.173 -3.383 18.736 1.00 54.43 H new ATOM 0 HD21 ASN A 72 -14.371 -1.110 20.052 1.00 1.20 H new ATOM 0 HD22 ASN A 72 -12.874 -0.352 19.498 1.00 1.20 H new ATOM 1155 N LYS A 73 -9.619 -4.427 20.503 1.00 14.44 N ATOM 1156 CA LYS A 73 -9.361 -5.694 21.176 1.00 60.34 C ATOM 1157 C LYS A 73 -7.870 -6.016 21.175 1.00 20.25 C ATOM 1158 O LYS A 73 -7.477 -7.181 21.111 1.00 60.14 O ATOM 1159 CB LYS A 73 -10.137 -6.824 20.495 1.00 54.22 C ATOM 1160 CG LYS A 73 -10.336 -8.043 21.378 1.00 75.41 C ATOM 1161 CD LYS A 73 -11.807 -8.284 21.673 1.00 75.54 C ATOM 1162 CE LYS A 73 -12.117 -9.769 21.789 1.00 63.25 C ATOM 1163 NZ LYS A 73 -13.109 -10.210 20.770 1.00 72.33 N ATOM 0 H LYS A 73 -9.326 -4.401 19.526 1.00 14.44 H new ATOM 0 HA LYS A 73 -9.695 -5.603 22.209 1.00 60.34 H new ATOM 0 HB2 LYS A 73 -11.112 -6.448 20.184 1.00 54.22 H new ATOM 0 HB3 LYS A 73 -9.607 -7.123 19.591 1.00 54.22 H new ATOM 0 HG2 LYS A 73 -9.914 -8.921 20.889 1.00 75.41 H new ATOM 0 HG3 LYS A 73 -9.794 -7.908 22.314 1.00 75.41 H new ATOM 0 HD2 LYS A 73 -12.080 -7.781 22.600 1.00 75.54 H new ATOM 0 HD3 LYS A 73 -12.414 -7.845 20.881 1.00 75.54 H new ATOM 0 HE2 LYS A 73 -11.197 -10.342 21.672 1.00 63.25 H new ATOM 0 HE3 LYS A 73 -12.501 -9.983 22.786 1.00 63.25 H new ATOM 0 HZ1 LYS A 73 -13.293 -11.227 20.882 1.00 72.33 H new ATOM 0 HZ2 LYS A 73 -13.996 -9.681 20.897 1.00 72.33 H new ATOM 0 HZ3 LYS A 73 -12.732 -10.030 19.818 1.00 72.33 H new ATOM 1177 N ARG A 74 -7.045 -4.977 21.250 1.00 61.02 N ATOM 1178 CA ARG A 74 -5.597 -5.150 21.258 1.00 13.15 C ATOM 1179 C ARG A 74 -5.001 -4.678 22.582 1.00 73.14 C ATOM 1180 O ARG A 74 -5.078 -3.498 22.924 1.00 30.01 O ATOM 1181 CB ARG A 74 -4.963 -4.380 20.098 1.00 34.42 C ATOM 1182 CG ARG A 74 -5.480 -4.803 18.733 1.00 60.24 C ATOM 1183 CD ARG A 74 -6.763 -4.072 18.371 1.00 12.54 C ATOM 1184 NE ARG A 74 -6.652 -3.369 17.096 1.00 74.54 N ATOM 1185 CZ ARG A 74 -7.700 -2.998 16.368 1.00 43.30 C ATOM 1186 NH1 ARG A 74 -8.930 -3.259 16.788 1.00 24.24 N ATOM 1187 NH2 ARG A 74 -7.518 -2.362 15.217 1.00 22.34 N ATOM 0 H ARG A 74 -7.354 -4.007 21.306 1.00 61.02 H new ATOM 0 HA ARG A 74 -5.382 -6.212 21.140 1.00 13.15 H new ATOM 0 HB2 ARG A 74 -5.150 -3.315 20.234 1.00 34.42 H new ATOM 0 HB3 ARG A 74 -3.882 -4.520 20.127 1.00 34.42 H new ATOM 0 HG2 ARG A 74 -4.720 -4.603 17.977 1.00 60.24 H new ATOM 0 HG3 ARG A 74 -5.659 -5.878 18.728 1.00 60.24 H new ATOM 0 HD2 ARG A 74 -7.585 -4.786 18.321 1.00 12.54 H new ATOM 0 HD3 ARG A 74 -7.008 -3.359 19.158 1.00 12.54 H new ATOM 0 HE ARG A 74 -5.719 -3.151 16.745 1.00 74.54 H new ATOM 0 HH11 ARG A 74 -9.074 -3.746 17.673 1.00 24.24 H new ATOM 0 HH12 ARG A 74 -9.732 -2.973 16.227 1.00 24.24 H new ATOM 0 HH21 ARG A 74 -6.573 -2.158 14.891 1.00 22.34 H new ATOM 0 HH22 ARG A 74 -8.323 -2.078 14.659 1.00 22.34 H new ATOM 1201 N LYS A 75 -4.408 -5.608 23.322 1.00 22.01 N ATOM 1202 CA LYS A 75 -3.798 -5.289 24.607 1.00 3.04 C ATOM 1203 C LYS A 75 -2.800 -4.144 24.467 1.00 53.51 C ATOM 1204 O LYS A 75 -2.164 -3.986 23.426 1.00 50.12 O ATOM 1205 CB LYS A 75 -3.097 -6.522 25.183 1.00 41.14 C ATOM 1206 CG LYS A 75 -3.100 -6.570 26.701 1.00 63.23 C ATOM 1207 CD LYS A 75 -1.817 -5.998 27.279 1.00 5.13 C ATOM 1208 CE LYS A 75 -1.291 -6.852 28.423 1.00 15.23 C ATOM 1209 NZ LYS A 75 -0.341 -6.098 29.287 1.00 14.03 N ATOM 0 H LYS A 75 -4.337 -6.590 23.054 1.00 22.01 H new ATOM 0 HA LYS A 75 -4.590 -4.977 25.288 1.00 3.04 H new ATOM 0 HB2 LYS A 75 -3.583 -7.419 24.799 1.00 41.14 H new ATOM 0 HB3 LYS A 75 -2.066 -6.542 24.829 1.00 41.14 H new ATOM 0 HG2 LYS A 75 -3.954 -6.009 27.082 1.00 63.23 H new ATOM 0 HG3 LYS A 75 -3.222 -7.601 27.033 1.00 63.23 H new ATOM 0 HD2 LYS A 75 -1.062 -5.932 26.496 1.00 5.13 H new ATOM 0 HD3 LYS A 75 -1.997 -4.983 27.634 1.00 5.13 H new ATOM 0 HE2 LYS A 75 -2.127 -7.206 29.026 1.00 15.23 H new ATOM 0 HE3 LYS A 75 -0.793 -7.733 28.019 1.00 15.23 H new ATOM 0 HZ1 LYS A 75 -0.005 -6.715 30.054 1.00 14.03 H new ATOM 0 HZ2 LYS A 75 0.470 -5.781 28.718 1.00 14.03 H new ATOM 0 HZ3 LYS A 75 -0.823 -5.271 29.693 1.00 14.03 H new ATOM 1223 N GLY A 76 -2.668 -3.347 25.523 1.00 11.41 N ATOM 1224 CA GLY A 76 -1.745 -2.227 25.497 1.00 53.13 C ATOM 1225 C GLY A 76 -2.434 -0.915 25.178 1.00 75.01 C ATOM 1226 O GLY A 76 -1.779 0.112 25.002 1.00 40.21 O ATOM 0 H GLY A 76 -3.184 -3.457 26.396 1.00 11.41 H new ATOM 0 HA2 GLY A 76 -1.248 -2.147 26.464 1.00 53.13 H new ATOM 0 HA3 GLY A 76 -0.970 -2.416 24.755 1.00 53.13 H new ATOM 1230 N PHE A 77 -3.761 -0.948 25.102 1.00 63.43 N ATOM 1231 CA PHE A 77 -4.539 0.247 24.799 1.00 75.20 C ATOM 1232 C PHE A 77 -4.199 1.377 25.766 1.00 43.24 C ATOM 1233 O PHE A 77 -4.110 1.168 26.975 1.00 51.53 O ATOM 1234 CB PHE A 77 -6.036 -0.063 24.867 1.00 73.35 C ATOM 1235 CG PHE A 77 -6.507 -0.448 26.240 1.00 74.12 C ATOM 1236 CD1 PHE A 77 -6.928 0.519 27.139 1.00 62.23 C ATOM 1237 CD2 PHE A 77 -6.529 -1.777 26.632 1.00 12.10 C ATOM 1238 CE1 PHE A 77 -7.362 0.168 28.403 1.00 13.11 C ATOM 1239 CE2 PHE A 77 -6.963 -2.134 27.895 1.00 50.42 C ATOM 1240 CZ PHE A 77 -7.379 -1.160 28.782 1.00 41.11 C ATOM 0 H PHE A 77 -4.319 -1.789 25.246 1.00 63.43 H new ATOM 0 HA PHE A 77 -4.286 0.568 23.789 1.00 75.20 H new ATOM 0 HB2 PHE A 77 -6.595 0.810 24.531 1.00 73.35 H new ATOM 0 HB3 PHE A 77 -6.263 -0.873 24.173 1.00 73.35 H new ATOM 0 HD1 PHE A 77 -6.917 1.559 26.848 1.00 62.23 H new ATOM 0 HD2 PHE A 77 -6.203 -2.542 25.943 1.00 12.10 H new ATOM 0 HE1 PHE A 77 -7.688 0.931 29.094 1.00 13.11 H new ATOM 0 HE2 PHE A 77 -6.977 -3.173 28.188 1.00 50.42 H new ATOM 0 HZ PHE A 77 -7.717 -1.436 29.770 1.00 41.11 H new ATOM 1250 N ASN A 78 -4.008 2.575 25.222 1.00 11.13 N ATOM 1251 CA ASN A 78 -3.676 3.739 26.036 1.00 43.14 C ATOM 1252 C ASN A 78 -2.295 3.586 26.666 1.00 20.22 C ATOM 1253 O ASN A 78 -1.983 4.234 27.665 1.00 61.05 O ATOM 1254 CB ASN A 78 -4.728 3.941 27.128 1.00 41.42 C ATOM 1255 CG ASN A 78 -5.418 5.288 27.023 1.00 30.25 C ATOM 1256 OD1 ASN A 78 -5.590 5.989 28.021 1.00 65.22 O ATOM 1257 ND2 ASN A 78 -5.818 5.655 25.812 1.00 40.24 N ATOM 0 H ASN A 78 -4.077 2.765 24.222 1.00 11.13 H new ATOM 0 HA ASN A 78 -3.664 4.614 25.386 1.00 43.14 H new ATOM 0 HB2 ASN A 78 -5.473 3.148 27.062 1.00 41.42 H new ATOM 0 HB3 ASN A 78 -4.254 3.853 28.106 1.00 41.42 H new ATOM 0 HD21 ASN A 78 -6.289 6.550 25.680 1.00 40.24 H new ATOM 0 HD22 ASN A 78 -5.654 5.042 25.013 1.00 40.24 H new ATOM 1264 N GLU A 79 -1.473 2.724 26.075 1.00 2.34 N ATOM 1265 CA GLU A 79 -0.126 2.486 26.580 1.00 4.11 C ATOM 1266 C GLU A 79 0.917 2.761 25.500 1.00 54.41 C ATOM 1267 O GLU A 79 1.661 1.868 25.098 1.00 54.03 O ATOM 1268 CB GLU A 79 0.009 1.046 27.079 1.00 70.12 C ATOM 1269 CG GLU A 79 -1.165 0.583 27.925 1.00 23.34 C ATOM 1270 CD GLU A 79 -1.598 1.623 28.940 1.00 32.43 C ATOM 1271 OE1 GLU A 79 -0.716 2.280 29.531 1.00 70.10 O ATOM 1272 OE2 GLU A 79 -2.821 1.779 29.143 1.00 24.14 O ATOM 0 H GLU A 79 -1.716 2.180 25.247 1.00 2.34 H new ATOM 0 HA GLU A 79 0.048 3.169 27.411 1.00 4.11 H new ATOM 0 HB2 GLU A 79 0.113 0.381 26.221 1.00 70.12 H new ATOM 0 HB3 GLU A 79 0.925 0.957 27.664 1.00 70.12 H new ATOM 0 HG2 GLU A 79 -2.006 0.344 27.274 1.00 23.34 H new ATOM 0 HG3 GLU A 79 -0.894 -0.336 28.445 1.00 23.34 H new ATOM 1279 N GLY A 80 0.963 4.006 25.034 1.00 71.12 N ATOM 1280 CA GLY A 80 1.916 4.377 24.004 1.00 11.43 C ATOM 1281 C GLY A 80 1.241 4.805 22.716 1.00 33.32 C ATOM 1282 O GLY A 80 1.909 5.165 21.746 1.00 12.11 O ATOM 0 H GLY A 80 0.358 4.763 25.351 1.00 71.12 H new ATOM 0 HA2 GLY A 80 2.543 5.190 24.370 1.00 11.43 H new ATOM 0 HA3 GLY A 80 2.575 3.533 23.802 1.00 11.43 H new ATOM 1286 N LEU A 81 -0.087 4.763 22.704 1.00 0.43 N ATOM 1287 CA LEU A 81 -0.854 5.148 21.524 1.00 2.03 C ATOM 1288 C LEU A 81 -0.784 6.655 21.297 1.00 61.43 C ATOM 1289 O LEU A 81 -0.742 7.119 20.157 1.00 30.33 O ATOM 1290 CB LEU A 81 -2.312 4.711 21.675 1.00 61.54 C ATOM 1291 CG LEU A 81 -3.281 5.229 20.611 1.00 30.44 C ATOM 1292 CD1 LEU A 81 -3.460 4.200 19.506 1.00 71.03 C ATOM 1293 CD2 LEU A 81 -4.623 5.580 21.238 1.00 25.42 C ATOM 0 H LEU A 81 -0.655 4.466 23.498 1.00 0.43 H new ATOM 0 HA LEU A 81 -0.419 4.648 20.659 1.00 2.03 H new ATOM 0 HB2 LEU A 81 -2.346 3.622 21.670 1.00 61.54 H new ATOM 0 HB3 LEU A 81 -2.669 5.036 22.652 1.00 61.54 H new ATOM 0 HG LEU A 81 -2.860 6.133 20.172 1.00 30.44 H new ATOM 0 HD11 LEU A 81 -4.153 4.586 18.758 1.00 71.03 H new ATOM 0 HD12 LEU A 81 -2.497 3.997 19.038 1.00 71.03 H new ATOM 0 HD13 LEU A 81 -3.859 3.278 19.929 1.00 71.03 H new ATOM 0 HD21 LEU A 81 -5.300 5.947 20.467 1.00 25.42 H new ATOM 0 HD22 LEU A 81 -5.050 4.692 21.704 1.00 25.42 H new ATOM 0 HD23 LEU A 81 -4.481 6.353 21.993 1.00 25.42 H new ATOM 1305 N TRP A 82 -0.770 7.412 22.387 1.00 4.24 N ATOM 1306 CA TRP A 82 -0.702 8.867 22.306 1.00 33.14 C ATOM 1307 C TRP A 82 0.732 9.334 22.082 1.00 33.23 C ATOM 1308 O TRP A 82 0.966 10.464 21.656 1.00 13.35 O ATOM 1309 CB TRP A 82 -1.263 9.496 23.583 1.00 22.31 C ATOM 1310 CG TRP A 82 -0.947 10.955 23.715 1.00 63.11 C ATOM 1311 CD1 TRP A 82 -1.678 11.999 23.226 1.00 53.31 C ATOM 1312 CD2 TRP A 82 0.185 11.530 24.377 1.00 15.25 C ATOM 1313 NE1 TRP A 82 -1.070 13.189 23.545 1.00 42.44 N ATOM 1314 CE2 TRP A 82 0.074 12.929 24.252 1.00 61.13 C ATOM 1315 CE3 TRP A 82 1.279 11.000 25.067 1.00 53.45 C ATOM 1316 CZ2 TRP A 82 1.017 13.801 24.789 1.00 63.04 C ATOM 1317 CZ3 TRP A 82 2.214 11.867 25.599 1.00 41.35 C ATOM 1318 CH2 TRP A 82 2.079 13.255 25.458 1.00 35.20 C ATOM 0 H TRP A 82 -0.805 7.043 23.337 1.00 4.24 H new ATOM 0 HA TRP A 82 -1.305 9.187 21.456 1.00 33.14 H new ATOM 0 HB2 TRP A 82 -2.345 9.363 23.600 1.00 22.31 H new ATOM 0 HB3 TRP A 82 -0.863 8.965 24.447 1.00 22.31 H new ATOM 0 HD1 TRP A 82 -2.599 11.904 22.670 1.00 53.31 H new ATOM 0 HE1 TRP A 82 -1.415 14.116 23.296 1.00 42.44 H new ATOM 0 HE3 TRP A 82 1.391 9.932 25.182 1.00 53.45 H new ATOM 0 HZ2 TRP A 82 0.914 14.871 24.682 1.00 63.04 H new ATOM 0 HZ3 TRP A 82 3.064 11.468 26.133 1.00 41.35 H new ATOM 0 HH2 TRP A 82 2.827 13.906 25.885 1.00 35.20 H new ATOM 1329 N GLU A 83 1.688 8.456 22.372 1.00 55.34 N ATOM 1330 CA GLU A 83 3.099 8.781 22.201 1.00 12.23 C ATOM 1331 C GLU A 83 3.539 8.553 20.758 1.00 3.42 C ATOM 1332 O GLU A 83 4.547 9.103 20.312 1.00 73.03 O ATOM 1333 CB GLU A 83 3.957 7.938 23.147 1.00 12.11 C ATOM 1334 CG GLU A 83 3.969 8.451 24.577 1.00 21.55 C ATOM 1335 CD GLU A 83 4.776 7.565 25.507 1.00 10.34 C ATOM 1336 OE1 GLU A 83 5.263 6.511 25.047 1.00 2.35 O ATOM 1337 OE2 GLU A 83 4.920 7.926 26.694 1.00 20.11 O ATOM 0 H GLU A 83 1.511 7.516 22.726 1.00 55.34 H new ATOM 0 HA GLU A 83 3.235 9.836 22.441 1.00 12.23 H new ATOM 0 HB2 GLU A 83 3.589 6.912 23.141 1.00 12.11 H new ATOM 0 HB3 GLU A 83 4.980 7.912 22.771 1.00 12.11 H new ATOM 0 HG2 GLU A 83 4.381 9.460 24.594 1.00 21.55 H new ATOM 0 HG3 GLU A 83 2.945 8.519 24.944 1.00 21.55 H new ATOM 1344 N ILE A 84 2.778 7.739 20.035 1.00 51.40 N ATOM 1345 CA ILE A 84 3.089 7.439 18.643 1.00 51.11 C ATOM 1346 C ILE A 84 3.303 8.717 17.840 1.00 42.45 C ATOM 1347 O ILE A 84 4.044 8.728 16.856 1.00 22.13 O ATOM 1348 CB ILE A 84 1.970 6.612 17.982 1.00 43.21 C ATOM 1349 CG1 ILE A 84 2.468 5.995 16.673 1.00 13.31 C ATOM 1350 CG2 ILE A 84 0.746 7.481 17.733 1.00 62.41 C ATOM 1351 CD1 ILE A 84 1.392 5.261 15.904 1.00 51.01 C ATOM 0 H ILE A 84 1.942 7.275 20.390 1.00 51.40 H new ATOM 0 HA ILE A 84 4.009 6.855 18.644 1.00 51.11 H new ATOM 0 HB ILE A 84 1.687 5.805 18.658 1.00 43.21 H new ATOM 0 HG12 ILE A 84 2.880 6.783 16.043 1.00 13.31 H new ATOM 0 HG13 ILE A 84 3.282 5.304 16.893 1.00 13.31 H new ATOM 0 HG21 ILE A 84 -0.036 6.883 17.266 1.00 62.41 H new ATOM 0 HG22 ILE A 84 0.382 7.877 18.681 1.00 62.41 H new ATOM 0 HG23 ILE A 84 1.014 8.307 17.074 1.00 62.41 H new ATOM 0 HD11 ILE A 84 1.816 4.850 14.988 1.00 51.01 H new ATOM 0 HD12 ILE A 84 0.996 4.451 16.516 1.00 51.01 H new ATOM 0 HD13 ILE A 84 0.588 5.953 15.653 1.00 51.01 H new ATOM 1363 N ASP A 85 2.651 9.794 18.266 1.00 65.43 N ATOM 1364 CA ASP A 85 2.773 11.079 17.588 1.00 53.11 C ATOM 1365 C ASP A 85 3.551 12.074 18.444 1.00 33.40 C ATOM 1366 O ASP A 85 4.250 12.941 17.923 1.00 3.25 O ATOM 1367 CB ASP A 85 1.388 11.641 17.263 1.00 52.00 C ATOM 1368 CG ASP A 85 0.925 11.269 15.868 1.00 51.40 C ATOM 1369 OD1 ASP A 85 1.488 11.809 14.893 1.00 11.30 O ATOM 1370 OD2 ASP A 85 -0.001 10.439 15.751 1.00 10.31 O ATOM 0 H ASP A 85 2.033 9.802 19.077 1.00 65.43 H new ATOM 0 HA ASP A 85 3.320 10.921 16.659 1.00 53.11 H new ATOM 0 HB2 ASP A 85 0.668 11.270 17.993 1.00 52.00 H new ATOM 0 HB3 ASP A 85 1.408 12.727 17.359 1.00 52.00 H new ATOM 1375 N ASN A 86 3.422 11.941 19.760 1.00 2.02 N ATOM 1376 CA ASN A 86 4.112 12.829 20.689 1.00 40.22 C ATOM 1377 C ASN A 86 5.537 12.348 20.945 1.00 32.32 C ATOM 1378 O ASN A 86 6.503 13.011 20.572 1.00 64.20 O ATOM 1379 CB ASN A 86 3.345 12.915 22.010 1.00 22.10 C ATOM 1380 CG ASN A 86 2.088 13.755 21.895 1.00 10.33 C ATOM 1381 OD1 ASN A 86 2.055 14.906 22.332 1.00 31.35 O ATOM 1382 ND2 ASN A 86 1.045 13.182 21.305 1.00 4.32 N ATOM 0 H ASN A 86 2.846 11.227 20.207 1.00 2.02 H new ATOM 0 HA ASN A 86 4.158 13.820 20.238 1.00 40.22 H new ATOM 0 HB2 ASN A 86 3.079 11.910 22.338 1.00 22.10 H new ATOM 0 HB3 ASN A 86 3.993 13.339 22.777 1.00 22.10 H new ATOM 0 HD21 ASN A 86 0.172 13.698 21.199 1.00 4.32 H new ATOM 0 HD22 ASN A 86 1.117 12.226 20.958 1.00 4.32 H new ATOM 1389 N ASN A 87 5.658 11.189 21.584 1.00 31.34 N ATOM 1390 CA ASN A 87 6.964 10.618 21.891 1.00 65.21 C ATOM 1391 C ASN A 87 7.207 9.348 21.081 1.00 73.20 C ATOM 1392 O ASN A 87 7.117 8.230 21.590 1.00 11.41 O ATOM 1393 CB ASN A 87 7.072 10.311 23.386 1.00 61.10 C ATOM 1394 CG ASN A 87 8.509 10.132 23.838 1.00 53.24 C ATOM 1395 OD1 ASN A 87 9.431 10.121 23.022 1.00 53.21 O ATOM 1396 ND2 ASN A 87 8.705 9.991 25.143 1.00 20.23 N ATOM 0 H ASN A 87 4.867 10.627 21.899 1.00 31.34 H new ATOM 0 HA ASN A 87 7.725 11.351 21.622 1.00 65.21 H new ATOM 0 HB2 ASN A 87 6.614 11.120 23.954 1.00 61.10 H new ATOM 0 HB3 ASN A 87 6.508 9.405 23.610 1.00 61.10 H new ATOM 0 HD21 ASN A 87 9.650 9.867 25.506 1.00 20.23 H new ATOM 0 HD22 ASN A 87 7.911 10.006 25.783 1.00 20.23 H new ATOM 1403 N PRO A 88 7.522 9.521 19.789 1.00 41.21 N ATOM 1404 CA PRO A 88 7.785 8.401 18.881 1.00 61.21 C ATOM 1405 C PRO A 88 9.092 7.686 19.205 1.00 5.24 C ATOM 1406 O PRO A 88 9.393 6.633 18.642 1.00 3.44 O ATOM 1407 CB PRO A 88 7.868 9.070 17.507 1.00 62.23 C ATOM 1408 CG PRO A 88 8.273 10.475 17.793 1.00 33.31 C ATOM 1409 CD PRO A 88 7.647 10.824 19.115 1.00 52.51 C ATOM 0 HA PRO A 88 7.016 7.632 18.950 1.00 61.21 H new ATOM 0 HB2 PRO A 88 8.596 8.571 16.867 1.00 62.23 H new ATOM 0 HB3 PRO A 88 6.909 9.032 16.990 1.00 62.23 H new ATOM 0 HG2 PRO A 88 9.358 10.567 17.838 1.00 33.31 H new ATOM 0 HG3 PRO A 88 7.929 11.148 17.008 1.00 33.31 H new ATOM 0 HD2 PRO A 88 8.270 11.513 19.685 1.00 52.51 H new ATOM 0 HD3 PRO A 88 6.677 11.304 18.986 1.00 52.51 H new ATOM 1417 N LYS A 89 9.867 8.265 20.117 1.00 31.52 N ATOM 1418 CA LYS A 89 11.142 7.683 20.519 1.00 60.31 C ATOM 1419 C LYS A 89 11.188 7.461 22.027 1.00 10.44 C ATOM 1420 O LYS A 89 12.246 7.566 22.648 1.00 31.14 O ATOM 1421 CB LYS A 89 12.298 8.590 20.090 1.00 34.14 C ATOM 1422 CG LYS A 89 12.259 9.967 20.730 1.00 22.01 C ATOM 1423 CD LYS A 89 11.465 10.951 19.888 1.00 42.32 C ATOM 1424 CE LYS A 89 11.858 12.389 20.192 1.00 32.11 C ATOM 1425 NZ LYS A 89 10.740 13.337 19.929 1.00 33.33 N ATOM 0 H LYS A 89 9.634 9.137 20.592 1.00 31.52 H new ATOM 0 HA LYS A 89 11.244 6.717 20.025 1.00 60.31 H new ATOM 0 HB2 LYS A 89 13.242 8.107 20.344 1.00 34.14 H new ATOM 0 HB3 LYS A 89 12.279 8.701 19.006 1.00 34.14 H new ATOM 0 HG2 LYS A 89 11.815 9.895 21.723 1.00 22.01 H new ATOM 0 HG3 LYS A 89 13.276 10.337 20.862 1.00 22.01 H new ATOM 0 HD2 LYS A 89 11.630 10.743 18.831 1.00 42.32 H new ATOM 0 HD3 LYS A 89 10.400 10.816 20.076 1.00 42.32 H new ATOM 0 HE2 LYS A 89 12.164 12.469 21.235 1.00 32.11 H new ATOM 0 HE3 LYS A 89 12.720 12.666 19.585 1.00 32.11 H new ATOM 0 HZ1 LYS A 89 11.048 14.306 20.148 1.00 33.33 H new ATOM 0 HZ2 LYS A 89 10.464 13.279 18.928 1.00 33.33 H new ATOM 0 HZ3 LYS A 89 9.926 13.089 20.527 1.00 33.33 H new ATOM 1439 N VAL A 90 10.034 7.154 22.611 1.00 21.24 N ATOM 1440 CA VAL A 90 9.943 6.915 24.047 1.00 45.12 C ATOM 1441 C VAL A 90 10.886 5.797 24.479 1.00 52.14 C ATOM 1442 O VAL A 90 11.290 5.724 25.639 1.00 34.43 O ATOM 1443 CB VAL A 90 8.507 6.551 24.466 1.00 73.14 C ATOM 1444 CG1 VAL A 90 8.006 5.354 23.671 1.00 12.42 C ATOM 1445 CG2 VAL A 90 8.442 6.274 25.960 1.00 13.10 C ATOM 0 H VAL A 90 9.149 7.065 22.112 1.00 21.24 H new ATOM 0 HA VAL A 90 10.233 7.842 24.541 1.00 45.12 H new ATOM 0 HB VAL A 90 7.858 7.399 24.249 1.00 73.14 H new ATOM 0 HG11 VAL A 90 6.990 5.111 23.981 1.00 12.42 H new ATOM 0 HG12 VAL A 90 8.014 5.594 22.608 1.00 12.42 H new ATOM 0 HG13 VAL A 90 8.655 4.498 23.854 1.00 12.42 H new ATOM 0 HG21 VAL A 90 7.420 6.018 26.239 1.00 13.10 H new ATOM 0 HG22 VAL A 90 9.103 5.443 26.205 1.00 13.10 H new ATOM 0 HG23 VAL A 90 8.756 7.162 26.509 1.00 13.10 H new ATOM 1455 N LYS A 91 11.234 4.927 23.536 1.00 14.24 N ATOM 1456 CA LYS A 91 12.130 3.812 23.817 1.00 4.31 C ATOM 1457 C LYS A 91 13.407 4.299 24.495 1.00 23.40 C ATOM 1458 O LYS A 91 14.015 3.577 25.286 1.00 4.31 O ATOM 1459 CB LYS A 91 12.477 3.072 22.523 1.00 24.15 C ATOM 1460 CG LYS A 91 12.967 3.985 21.413 1.00 72.24 C ATOM 1461 CD LYS A 91 13.845 3.238 20.423 1.00 73.42 C ATOM 1462 CE LYS A 91 13.080 2.117 19.735 1.00 22.11 C ATOM 1463 NZ LYS A 91 13.236 0.820 20.449 1.00 32.45 N ATOM 0 H LYS A 91 10.909 4.973 22.570 1.00 14.24 H new ATOM 0 HA LYS A 91 11.618 3.128 24.494 1.00 4.31 H new ATOM 0 HB2 LYS A 91 13.244 2.327 22.735 1.00 24.15 H new ATOM 0 HB3 LYS A 91 11.596 2.532 22.176 1.00 24.15 H new ATOM 0 HG2 LYS A 91 12.112 4.415 20.890 1.00 72.24 H new ATOM 0 HG3 LYS A 91 13.527 4.815 21.844 1.00 72.24 H new ATOM 0 HD2 LYS A 91 14.225 3.934 19.675 1.00 73.42 H new ATOM 0 HD3 LYS A 91 14.710 2.825 20.942 1.00 73.42 H new ATOM 0 HE2 LYS A 91 12.023 2.378 19.682 1.00 22.11 H new ATOM 0 HE3 LYS A 91 13.434 2.012 18.709 1.00 22.11 H new ATOM 0 HZ1 LYS A 91 13.639 0.113 19.801 1.00 32.45 H new ATOM 0 HZ2 LYS A 91 13.872 0.946 21.262 1.00 32.45 H new ATOM 0 HZ3 LYS A 91 12.307 0.494 20.783 1.00 32.45 H new ATOM 1477 N PHE A 92 13.808 5.526 24.181 1.00 12.32 N ATOM 1478 CA PHE A 92 15.012 6.109 24.761 1.00 44.02 C ATOM 1479 C PHE A 92 14.988 6.006 26.283 1.00 2.10 C ATOM 1480 O PHE A 92 14.126 6.587 26.942 1.00 54.14 O ATOM 1481 CB PHE A 92 15.150 7.574 24.340 1.00 75.45 C ATOM 1482 CG PHE A 92 16.406 8.226 24.841 1.00 40.34 C ATOM 1483 CD1 PHE A 92 17.646 7.823 24.372 1.00 21.13 C ATOM 1484 CD2 PHE A 92 16.347 9.244 25.779 1.00 21.44 C ATOM 1485 CE1 PHE A 92 18.804 8.421 24.832 1.00 12.44 C ATOM 1486 CE2 PHE A 92 17.501 9.846 26.243 1.00 45.21 C ATOM 1487 CZ PHE A 92 18.731 9.435 25.768 1.00 44.11 C ATOM 0 H PHE A 92 13.317 6.136 23.528 1.00 12.32 H new ATOM 0 HA PHE A 92 15.871 5.549 24.390 1.00 44.02 H new ATOM 0 HB2 PHE A 92 15.128 7.635 23.252 1.00 75.45 H new ATOM 0 HB3 PHE A 92 14.289 8.132 24.708 1.00 75.45 H new ATOM 0 HD1 PHE A 92 17.708 7.033 23.639 1.00 21.13 H new ATOM 0 HD2 PHE A 92 15.388 9.571 26.152 1.00 21.44 H new ATOM 0 HE1 PHE A 92 19.765 8.096 24.460 1.00 12.44 H new ATOM 0 HE2 PHE A 92 17.441 10.637 26.976 1.00 45.21 H new ATOM 0 HZ PHE A 92 19.634 9.905 26.127 1.00 44.11 H new ATOM 1497 N SER A 93 15.941 5.262 26.835 1.00 21.11 N ATOM 1498 CA SER A 93 16.027 5.078 28.279 1.00 5.31 C ATOM 1499 C SER A 93 17.308 5.698 28.830 1.00 63.12 C ATOM 1500 O SER A 93 18.261 5.939 28.090 1.00 53.00 O ATOM 1501 CB SER A 93 15.976 3.590 28.629 1.00 31.13 C ATOM 1502 OG SER A 93 15.942 3.397 30.033 1.00 50.13 O ATOM 0 H SER A 93 16.664 4.777 26.304 1.00 21.11 H new ATOM 0 HA SER A 93 15.174 5.581 28.736 1.00 5.31 H new ATOM 0 HB2 SER A 93 15.095 3.136 28.175 1.00 31.13 H new ATOM 0 HB3 SER A 93 16.846 3.085 28.210 1.00 31.13 H new ATOM 0 HG SER A 93 15.908 2.438 30.231 1.00 50.13 H new TER 1508 SER A 93