USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 749 hydrogens (21 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 7 LYS NZ :NH3+ 152:sc= 1.54 (180deg=0.579) USER MOD Set 1.2: A 74 ASN : amide:sc= 1.99 K(o=3.5,f=-4.6!) USER MOD Set 2.1: A 64 HIS : no HE2:sc= -0.447 K(o=0.65,f=-6.4!) USER MOD Set 2.2: A 79 THR OG1 : rot -143:sc= 1.25 USER MOD Set 2.3: A 82 GLN : amide:sc= -0.149 K(o=0.65,f=-0.2) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.138 (180deg=-0.678) USER MOD Single : A 1 MET N :NH3+ 176:sc= 0.443 (180deg=0.437) USER MOD Single : A 9 LYS NZ :NH3+ -133:sc= -2.77! (180deg=-4.7!) USER MOD Single : A 13 TYR OH : rot 151:sc= 0 USER MOD Single : A 15 MET CE :methyl -110:sc= -1.53 (180deg=-3.75!) USER MOD Single : A 22 SER OG : rot -46:sc= 0.32 USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= -0.0206 (180deg=-0.151) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 32 THR OG1 : rot -152:sc= 0.403 USER MOD Single : A 41 ASN : amide:sc= -0.0802 K(o=-0.08,f=-1.5) USER MOD Single : A 43 MET CE :methyl -113:sc= -0.0342 (180deg=-0.874) USER MOD Single : A 44 ASN : amide:sc= -3.22! C(o=-3.2!,f=-4.4!) USER MOD Single : A 47 LYS NZ :NH3+ 151:sc= 1.14 (180deg=0.404) USER MOD Single : A 49 MET CE :methyl -110:sc= -0.0111 (180deg=-3.3!) USER MOD Single : A 51 TYR OH : rot 30:sc=-0.00949 USER MOD Single : A 56 MET CE :methyl 156:sc= -2.69 (180deg=-3.35!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 169:sc= 1.26 (180deg=0.869) USER MOD Single : A 77 SER OG : rot 148:sc= 1.09 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 23:sc= 0.292 USER MOD Single : A 101 PNS O33 : rot -77:sc= -0.515 USER MOD Single : A 101 PNS S44 : rot 130:sc= -2.02 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.560 5.220 -6.038 1.00 0.00 N ATOM 2 CA MET A 1 14.007 6.302 -5.139 1.00 0.00 C ATOM 3 C MET A 1 13.853 5.871 -3.676 1.00 0.00 C ATOM 4 O MET A 1 14.815 5.897 -2.898 1.00 0.00 O ATOM 5 CB MET A 1 13.212 7.602 -5.433 1.00 0.00 C ATOM 6 CG MET A 1 13.605 8.818 -4.568 1.00 0.00 C ATOM 7 SD MET A 1 12.870 10.364 -5.156 1.00 0.00 S ATOM 8 CE MET A 1 13.627 10.547 -6.772 1.00 0.00 C ATOM 0 H1 MET A 1 13.605 5.547 -7.024 1.00 0.00 H new ATOM 0 H2 MET A 1 14.178 4.392 -5.919 1.00 0.00 H new ATOM 0 H3 MET A 1 12.581 4.957 -5.805 1.00 0.00 H new ATOM 0 HA MET A 1 15.063 6.506 -5.319 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.348 7.863 -6.483 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.150 7.401 -5.289 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.294 8.642 -3.538 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.690 8.917 -4.560 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.605 11.596 -7.067 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.661 10.203 -6.731 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.076 9.953 -7.501 1.00 0.00 H new ATOM 20 N ASP A 2 12.619 5.480 -3.315 1.00 0.00 N ATOM 21 CA ASP A 2 12.262 5.053 -1.954 1.00 0.00 C ATOM 22 C ASP A 2 12.477 3.537 -1.786 1.00 0.00 C ATOM 23 O ASP A 2 13.329 3.101 -0.997 1.00 0.00 O ATOM 24 CB ASP A 2 10.780 5.401 -1.661 1.00 0.00 C ATOM 25 CG ASP A 2 10.465 6.902 -1.659 1.00 0.00 C ATOM 26 OD1 ASP A 2 10.480 7.517 -2.746 1.00 0.00 O ATOM 27 OD2 ASP A 2 10.184 7.459 -0.571 1.00 0.00 O ATOM 0 H ASP A 2 11.835 5.452 -3.967 1.00 0.00 H new ATOM 0 HA ASP A 2 12.906 5.580 -1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.152 4.912 -2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.508 4.985 -0.691 1.00 0.00 H new ATOM 32 N GLY A 3 11.687 2.749 -2.541 1.00 0.00 N ATOM 33 CA GLY A 3 11.666 1.291 -2.416 1.00 0.00 C ATOM 34 C GLY A 3 11.124 0.835 -1.067 1.00 0.00 C ATOM 35 O GLY A 3 9.907 0.755 -0.871 1.00 0.00 O ATOM 0 H GLY A 3 11.050 3.111 -3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 3 11.054 0.869 -3.213 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.676 0.902 -2.550 1.00 0.00 H new ATOM 39 N GLU A 4 12.038 0.600 -0.118 1.00 0.00 N ATOM 40 CA GLU A 4 11.693 0.111 1.230 1.00 0.00 C ATOM 41 C GLU A 4 10.975 1.192 2.043 1.00 0.00 C ATOM 42 O GLU A 4 10.163 0.887 2.933 1.00 0.00 O ATOM 43 CB GLU A 4 12.955 -0.380 1.964 1.00 0.00 C ATOM 44 CG GLU A 4 14.043 0.690 2.181 1.00 0.00 C ATOM 45 CD GLU A 4 15.325 0.095 2.779 1.00 0.00 C ATOM 46 OE1 GLU A 4 16.187 -0.373 2.003 1.00 0.00 O ATOM 47 OE2 GLU A 4 15.464 0.056 4.016 1.00 0.00 O ATOM 0 H GLU A 4 13.038 0.742 -0.259 1.00 0.00 H new ATOM 0 HA GLU A 4 11.009 -0.730 1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.660 -0.778 2.935 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.387 -1.206 1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.275 1.169 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.661 1.466 2.844 1.00 0.00 H new ATOM 54 N GLU A 5 11.263 2.454 1.686 1.00 0.00 N ATOM 55 CA GLU A 5 10.680 3.620 2.332 1.00 0.00 C ATOM 56 C GLU A 5 9.175 3.727 1.977 1.00 0.00 C ATOM 57 O GLU A 5 8.399 4.234 2.775 1.00 0.00 O ATOM 58 CB GLU A 5 11.475 4.898 1.928 1.00 0.00 C ATOM 59 CG GLU A 5 11.213 6.136 2.804 1.00 0.00 C ATOM 60 CD GLU A 5 11.547 5.912 4.283 1.00 0.00 C ATOM 61 OE1 GLU A 5 12.733 6.035 4.657 1.00 0.00 O ATOM 62 OE2 GLU A 5 10.621 5.615 5.070 1.00 0.00 O ATOM 0 H GLU A 5 11.913 2.685 0.935 1.00 0.00 H new ATOM 0 HA GLU A 5 10.750 3.518 3.415 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.540 4.669 1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.233 5.146 0.895 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.804 6.971 2.427 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.165 6.421 2.714 1.00 0.00 H new ATOM 69 N VAL A 6 8.778 3.211 0.780 1.00 0.00 N ATOM 70 CA VAL A 6 7.351 3.104 0.371 1.00 0.00 C ATOM 71 C VAL A 6 6.621 2.110 1.285 1.00 0.00 C ATOM 72 O VAL A 6 5.544 2.409 1.810 1.00 0.00 O ATOM 73 CB VAL A 6 7.181 2.608 -1.123 1.00 0.00 C ATOM 74 CG1 VAL A 6 5.690 2.503 -1.533 1.00 0.00 C ATOM 75 CG2 VAL A 6 7.960 3.489 -2.116 1.00 0.00 C ATOM 0 H VAL A 6 9.432 2.861 0.079 1.00 0.00 H new ATOM 0 HA VAL A 6 6.928 4.105 0.454 1.00 0.00 H new ATOM 0 HB VAL A 6 7.608 1.606 -1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.620 2.159 -2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.182 1.794 -0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.218 3.482 -1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.815 3.112 -3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.596 4.515 -2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.021 3.465 -1.869 1.00 0.00 H new ATOM 85 N LYS A 7 7.241 0.932 1.468 1.00 0.00 N ATOM 86 CA LYS A 7 6.645 -0.193 2.206 1.00 0.00 C ATOM 87 C LYS A 7 6.351 0.163 3.669 1.00 0.00 C ATOM 88 O LYS A 7 5.267 -0.140 4.173 1.00 0.00 O ATOM 89 CB LYS A 7 7.579 -1.422 2.131 1.00 0.00 C ATOM 90 CG LYS A 7 7.792 -1.949 0.698 1.00 0.00 C ATOM 91 CD LYS A 7 8.632 -3.237 0.630 1.00 0.00 C ATOM 92 CE LYS A 7 10.051 -3.053 1.176 1.00 0.00 C ATOM 93 NZ LYS A 7 10.872 -4.274 1.030 1.00 0.00 N ATOM 0 H LYS A 7 8.174 0.733 1.106 1.00 0.00 H new ATOM 0 HA LYS A 7 5.691 -0.428 1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.546 -1.160 2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.164 -2.221 2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.820 -2.135 0.241 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.280 -1.176 0.105 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.130 -4.022 1.195 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.687 -3.574 -0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.535 -2.228 0.653 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.000 -2.776 2.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.875 -4.011 0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.739 -4.883 1.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.580 -4.788 0.174 1.00 0.00 H new ATOM 107 N GLU A 8 7.327 0.797 4.336 1.00 0.00 N ATOM 108 CA GLU A 8 7.195 1.228 5.721 1.00 0.00 C ATOM 109 C GLU A 8 6.154 2.351 5.872 1.00 0.00 C ATOM 110 O GLU A 8 5.431 2.368 6.881 1.00 0.00 O ATOM 111 CB GLU A 8 8.578 1.628 6.298 1.00 0.00 C ATOM 112 CG GLU A 8 8.494 2.260 7.696 1.00 0.00 C ATOM 113 CD GLU A 8 9.818 2.292 8.468 1.00 0.00 C ATOM 114 OE1 GLU A 8 10.689 3.126 8.148 1.00 0.00 O ATOM 115 OE2 GLU A 8 9.986 1.471 9.402 1.00 0.00 O ATOM 0 H GLU A 8 8.231 1.022 3.921 1.00 0.00 H new ATOM 0 HA GLU A 8 6.823 0.387 6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.214 0.744 6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.058 2.331 5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.123 3.280 7.596 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.760 1.710 8.284 1.00 0.00 H new ATOM 122 N LYS A 9 6.063 3.257 4.872 1.00 0.00 N ATOM 123 CA LYS A 9 4.994 4.279 4.822 1.00 0.00 C ATOM 124 C LYS A 9 3.612 3.614 4.914 1.00 0.00 C ATOM 125 O LYS A 9 2.835 3.876 5.842 1.00 0.00 O ATOM 126 CB LYS A 9 5.043 5.117 3.506 1.00 0.00 C ATOM 127 CG LYS A 9 6.149 6.179 3.414 1.00 0.00 C ATOM 128 CD LYS A 9 6.090 6.938 2.065 1.00 0.00 C ATOM 129 CE LYS A 9 7.245 7.925 1.867 1.00 0.00 C ATOM 130 NZ LYS A 9 8.543 7.238 1.730 1.00 0.00 N ATOM 0 H LYS A 9 6.716 3.301 4.090 1.00 0.00 H new ATOM 0 HA LYS A 9 5.159 4.943 5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.158 4.430 2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.081 5.614 3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.046 6.887 4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.123 5.703 3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.097 6.215 1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.146 7.479 2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.058 8.527 0.978 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.285 8.610 2.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.247 7.701 2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.441 6.243 2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.858 7.285 0.740 1.00 0.00 H new ATOM 144 N ILE A 10 3.345 2.730 3.942 1.00 0.00 N ATOM 145 CA ILE A 10 2.029 2.123 3.750 1.00 0.00 C ATOM 146 C ILE A 10 1.666 1.225 4.939 1.00 0.00 C ATOM 147 O ILE A 10 0.560 1.343 5.474 1.00 0.00 O ATOM 148 CB ILE A 10 1.979 1.324 2.401 1.00 0.00 C ATOM 149 CG1 ILE A 10 2.342 2.269 1.214 1.00 0.00 C ATOM 150 CG2 ILE A 10 0.594 0.657 2.178 1.00 0.00 C ATOM 151 CD1 ILE A 10 2.483 1.584 -0.133 1.00 0.00 C ATOM 0 H ILE A 10 4.042 2.417 3.266 1.00 0.00 H new ATOM 0 HA ILE A 10 1.288 2.920 3.695 1.00 0.00 H new ATOM 0 HB ILE A 10 2.714 0.521 2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.574 3.039 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.279 2.776 1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.600 0.113 1.233 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.388 -0.036 2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.179 1.425 2.150 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.736 2.324 -0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.273 0.834 -0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.542 1.101 -0.396 1.00 0.00 H new ATOM 163 N ARG A 11 2.642 0.388 5.392 1.00 0.00 N ATOM 164 CA ARG A 11 2.429 -0.578 6.490 1.00 0.00 C ATOM 165 C ARG A 11 2.053 0.161 7.769 1.00 0.00 C ATOM 166 O ARG A 11 1.246 -0.332 8.555 1.00 0.00 O ATOM 167 CB ARG A 11 3.671 -1.514 6.701 1.00 0.00 C ATOM 168 CG ARG A 11 4.885 -1.005 7.538 1.00 0.00 C ATOM 169 CD ARG A 11 4.755 -1.249 9.069 1.00 0.00 C ATOM 170 NE ARG A 11 5.964 -1.846 9.667 1.00 0.00 N ATOM 171 CZ ARG A 11 7.106 -1.204 9.960 1.00 0.00 C ATOM 172 NH1 ARG A 11 7.241 0.094 9.711 1.00 0.00 N ATOM 173 NH2 ARG A 11 8.102 -1.876 10.508 1.00 0.00 N ATOM 0 H ARG A 11 3.586 0.369 5.006 1.00 0.00 H new ATOM 0 HA ARG A 11 1.601 -1.230 6.213 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.313 -2.431 7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.046 -1.786 5.714 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.790 -1.496 7.179 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.010 0.063 7.362 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.542 -0.302 9.565 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.904 -1.904 9.255 1.00 0.00 H new ATOM 0 HE ARG A 11 5.929 -2.843 9.878 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.471 0.616 9.292 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.114 0.569 9.939 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.999 -2.872 10.704 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.975 -1.399 10.735 1.00 0.00 H new ATOM 187 N ARG A 12 2.634 1.365 7.934 1.00 0.00 N ATOM 188 CA ARG A 12 2.409 2.204 9.101 1.00 0.00 C ATOM 189 C ARG A 12 0.957 2.669 9.128 1.00 0.00 C ATOM 190 O ARG A 12 0.278 2.513 10.138 1.00 0.00 O ATOM 191 CB ARG A 12 3.399 3.421 9.106 1.00 0.00 C ATOM 192 CG ARG A 12 4.218 3.592 10.395 1.00 0.00 C ATOM 193 CD ARG A 12 4.976 2.318 10.788 1.00 0.00 C ATOM 194 NE ARG A 12 5.734 2.500 12.039 1.00 0.00 N ATOM 195 CZ ARG A 12 5.282 2.204 13.271 1.00 0.00 C ATOM 196 NH1 ARG A 12 4.059 1.700 13.452 1.00 0.00 N ATOM 197 NH2 ARG A 12 6.055 2.426 14.321 1.00 0.00 N ATOM 0 H ARG A 12 3.273 1.774 7.252 1.00 0.00 H new ATOM 0 HA ARG A 12 2.601 1.622 10.003 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.088 3.312 8.268 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.829 4.334 8.933 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.930 4.407 10.263 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.552 3.879 11.209 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.270 1.496 10.906 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.659 2.039 9.986 1.00 0.00 H new ATOM 0 HE ARG A 12 6.677 2.881 11.965 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.452 1.534 12.649 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.732 1.481 14.393 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.987 2.819 14.194 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.719 2.204 15.258 1.00 0.00 H new ATOM 211 N TYR A 13 0.479 3.181 7.980 1.00 0.00 N ATOM 212 CA TYR A 13 -0.888 3.706 7.848 1.00 0.00 C ATOM 213 C TYR A 13 -1.939 2.590 8.028 1.00 0.00 C ATOM 214 O TYR A 13 -3.065 2.851 8.470 1.00 0.00 O ATOM 215 CB TYR A 13 -1.070 4.397 6.485 1.00 0.00 C ATOM 216 CG TYR A 13 -2.364 5.215 6.393 1.00 0.00 C ATOM 217 CD1 TYR A 13 -2.577 6.294 7.255 1.00 0.00 C ATOM 218 CD2 TYR A 13 -3.359 4.919 5.464 1.00 0.00 C ATOM 219 CE1 TYR A 13 -3.731 7.037 7.202 1.00 0.00 C ATOM 220 CE2 TYR A 13 -4.512 5.664 5.408 1.00 0.00 C ATOM 221 CZ TYR A 13 -4.696 6.723 6.273 1.00 0.00 C ATOM 222 OH TYR A 13 -5.865 7.452 6.225 1.00 0.00 O ATOM 0 H TYR A 13 1.028 3.242 7.122 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.040 4.441 8.639 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.219 5.053 6.300 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.068 3.642 5.699 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.817 6.549 7.979 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.222 4.094 4.780 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.880 7.861 7.884 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.276 5.420 4.685 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.217 7.446 5.310 1.00 0.00 H new ATOM 232 N ILE A 14 -1.562 1.353 7.662 1.00 0.00 N ATOM 233 CA ILE A 14 -2.407 0.167 7.868 1.00 0.00 C ATOM 234 C ILE A 14 -2.576 -0.106 9.377 1.00 0.00 C ATOM 235 O ILE A 14 -3.648 -0.506 9.819 1.00 0.00 O ATOM 236 CB ILE A 14 -1.806 -1.087 7.132 1.00 0.00 C ATOM 237 CG1 ILE A 14 -1.668 -0.815 5.600 1.00 0.00 C ATOM 238 CG2 ILE A 14 -2.650 -2.365 7.377 1.00 0.00 C ATOM 239 CD1 ILE A 14 -0.720 -1.760 4.889 1.00 0.00 C ATOM 0 H ILE A 14 -0.667 1.149 7.217 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.390 0.361 7.438 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.815 -1.261 7.552 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.653 -0.889 5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.323 0.208 5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.198 -3.206 6.850 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.682 -2.581 8.445 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.664 -2.208 7.008 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.679 -1.506 3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.276 -1.670 5.322 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.074 -2.785 5.003 1.00 0.00 H new ATOM 251 N MET A 15 -1.510 0.141 10.157 1.00 0.00 N ATOM 252 CA MET A 15 -1.525 -0.034 11.625 1.00 0.00 C ATOM 253 C MET A 15 -2.331 1.079 12.319 1.00 0.00 C ATOM 254 O MET A 15 -3.035 0.823 13.305 1.00 0.00 O ATOM 255 CB MET A 15 -0.072 -0.047 12.160 1.00 0.00 C ATOM 256 CG MET A 15 0.797 -1.134 11.529 1.00 0.00 C ATOM 257 SD MET A 15 2.533 -1.039 11.996 1.00 0.00 S ATOM 258 CE MET A 15 2.414 -1.398 13.737 1.00 0.00 C ATOM 0 H MET A 15 -0.615 0.467 9.792 1.00 0.00 H new ATOM 0 HA MET A 15 -2.010 -0.984 11.849 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.384 0.926 11.975 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.092 -0.190 13.240 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.406 -2.110 11.816 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.718 -1.065 10.444 1.00 0.00 H new ATOM 0 HE1 MET A 15 2.636 -0.498 14.310 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.405 -1.737 13.970 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.128 -2.179 13.997 1.00 0.00 H new ATOM 268 N GLU A 16 -2.216 2.308 11.780 1.00 0.00 N ATOM 269 CA GLU A 16 -2.814 3.517 12.382 1.00 0.00 C ATOM 270 C GLU A 16 -4.322 3.596 12.084 1.00 0.00 C ATOM 271 O GLU A 16 -5.153 3.633 12.998 1.00 0.00 O ATOM 272 CB GLU A 16 -2.115 4.804 11.854 1.00 0.00 C ATOM 273 CG GLU A 16 -0.581 4.852 12.005 1.00 0.00 C ATOM 274 CD GLU A 16 -0.067 4.502 13.411 1.00 0.00 C ATOM 275 OE1 GLU A 16 -0.371 5.248 14.366 1.00 0.00 O ATOM 276 OE2 GLU A 16 0.681 3.502 13.560 1.00 0.00 O ATOM 0 H GLU A 16 -1.706 2.491 10.916 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.670 3.449 13.460 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.360 4.919 10.798 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.538 5.663 12.375 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.136 4.162 11.287 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.234 5.852 11.744 1.00 0.00 H new ATOM 283 N ASP A 17 -4.652 3.639 10.786 1.00 0.00 N ATOM 284 CA ASP A 17 -6.019 3.901 10.301 1.00 0.00 C ATOM 285 C ASP A 17 -6.838 2.601 10.124 1.00 0.00 C ATOM 286 O ASP A 17 -7.892 2.439 10.744 1.00 0.00 O ATOM 287 CB ASP A 17 -5.925 4.696 8.975 1.00 0.00 C ATOM 288 CG ASP A 17 -7.273 4.911 8.268 1.00 0.00 C ATOM 289 OD1 ASP A 17 -8.044 5.807 8.677 1.00 0.00 O ATOM 290 OD2 ASP A 17 -7.573 4.197 7.295 1.00 0.00 O ATOM 0 H ASP A 17 -3.976 3.492 10.037 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.553 4.489 11.048 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.476 5.668 9.179 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.252 4.170 8.297 1.00 0.00 H new ATOM 295 N LEU A 18 -6.318 1.676 9.279 1.00 0.00 N ATOM 296 CA LEU A 18 -7.068 0.484 8.794 1.00 0.00 C ATOM 297 C LEU A 18 -7.411 -0.496 9.941 1.00 0.00 C ATOM 298 O LEU A 18 -8.589 -0.796 10.193 1.00 0.00 O ATOM 299 CB LEU A 18 -6.280 -0.260 7.665 1.00 0.00 C ATOM 300 CG LEU A 18 -6.210 0.429 6.251 1.00 0.00 C ATOM 301 CD1 LEU A 18 -5.496 1.802 6.274 1.00 0.00 C ATOM 302 CD2 LEU A 18 -5.554 -0.521 5.223 1.00 0.00 C ATOM 0 H LEU A 18 -5.368 1.733 8.913 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.007 0.853 8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.259 -0.416 8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.727 -1.246 7.537 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.238 0.631 5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.482 2.222 5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.029 2.478 6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.473 1.674 6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.512 -0.031 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.543 -0.768 5.549 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.143 -1.435 5.144 1.00 0.00 H new ATOM 314 N ILE A 19 -6.367 -0.990 10.620 1.00 0.00 N ATOM 315 CA ILE A 19 -6.495 -2.005 11.683 1.00 0.00 C ATOM 316 C ILE A 19 -6.507 -1.311 13.062 1.00 0.00 C ATOM 317 O ILE A 19 -6.067 -0.160 13.188 1.00 0.00 O ATOM 318 CB ILE A 19 -5.306 -3.048 11.632 1.00 0.00 C ATOM 319 CG1 ILE A 19 -5.005 -3.511 10.176 1.00 0.00 C ATOM 320 CG2 ILE A 19 -5.583 -4.286 12.531 1.00 0.00 C ATOM 321 CD1 ILE A 19 -3.807 -4.443 10.064 1.00 0.00 C ATOM 0 H ILE A 19 -5.405 -0.698 10.449 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.429 -2.543 11.525 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.428 -2.530 12.019 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.885 -4.015 9.776 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.830 -2.633 9.554 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.743 -4.977 12.467 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.711 -3.964 13.564 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.490 -4.786 12.192 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.660 -4.723 9.021 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.916 -3.936 10.433 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.986 -5.339 10.658 1.00 0.00 H new ATOM 333 N GLY A 20 -7.017 -2.018 14.076 1.00 0.00 N ATOM 334 CA GLY A 20 -7.006 -1.551 15.460 1.00 0.00 C ATOM 335 C GLY A 20 -6.179 -2.477 16.355 1.00 0.00 C ATOM 336 O GLY A 20 -4.957 -2.318 16.427 1.00 0.00 O ATOM 0 H GLY A 20 -7.450 -2.934 13.956 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.597 -0.541 15.502 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.028 -1.497 15.835 1.00 0.00 H new ATOM 340 N PRO A 21 -6.812 -3.511 16.998 1.00 0.00 N ATOM 341 CA PRO A 21 -6.140 -4.359 18.020 1.00 0.00 C ATOM 342 C PRO A 21 -5.121 -5.355 17.412 1.00 0.00 C ATOM 343 O PRO A 21 -4.156 -5.749 18.073 1.00 0.00 O ATOM 344 CB PRO A 21 -7.334 -5.095 18.690 1.00 0.00 C ATOM 345 CG PRO A 21 -8.374 -5.201 17.608 1.00 0.00 C ATOM 346 CD PRO A 21 -8.226 -3.942 16.766 1.00 0.00 C ATOM 0 HA PRO A 21 -5.538 -3.773 18.715 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.039 -6.079 19.053 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.711 -4.539 19.548 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.220 -6.095 17.004 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.375 -5.272 18.033 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.413 -4.144 15.711 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.933 -3.172 17.074 1.00 0.00 H new ATOM 354 N SER A 22 -5.333 -5.721 16.134 1.00 0.00 N ATOM 355 CA SER A 22 -4.551 -6.760 15.436 1.00 0.00 C ATOM 356 C SER A 22 -3.354 -6.139 14.666 1.00 0.00 C ATOM 357 O SER A 22 -2.865 -6.707 13.679 1.00 0.00 O ATOM 358 CB SER A 22 -5.511 -7.541 14.497 1.00 0.00 C ATOM 359 OG SER A 22 -4.900 -8.692 13.936 1.00 0.00 O ATOM 0 H SER A 22 -6.058 -5.301 15.552 1.00 0.00 H new ATOM 0 HA SER A 22 -4.117 -7.452 16.158 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.398 -7.840 15.055 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.846 -6.883 13.695 1.00 0.00 H new ATOM 0 HG SER A 22 -4.006 -8.461 13.608 1.00 0.00 H new ATOM 365 N ALA A 23 -2.845 -4.992 15.164 1.00 0.00 N ATOM 366 CA ALA A 23 -1.749 -4.250 14.528 1.00 0.00 C ATOM 367 C ALA A 23 -0.708 -3.904 15.581 1.00 0.00 C ATOM 368 O ALA A 23 -0.633 -2.772 16.074 1.00 0.00 O ATOM 369 CB ALA A 23 -2.268 -2.990 13.815 1.00 0.00 C ATOM 0 H ALA A 23 -3.187 -4.558 16.021 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.288 -4.875 13.763 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.433 -2.463 13.354 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.985 -3.277 13.046 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.755 -2.337 14.539 1.00 0.00 H new ATOM 375 N LYS A 24 0.041 -4.932 15.980 1.00 0.00 N ATOM 376 CA LYS A 24 1.205 -4.774 16.849 1.00 0.00 C ATOM 377 C LYS A 24 2.368 -4.224 16.042 1.00 0.00 C ATOM 378 O LYS A 24 2.343 -4.266 14.804 1.00 0.00 O ATOM 379 CB LYS A 24 1.612 -6.119 17.496 1.00 0.00 C ATOM 380 CG LYS A 24 0.505 -6.826 18.281 1.00 0.00 C ATOM 381 CD LYS A 24 -0.095 -5.958 19.413 1.00 0.00 C ATOM 382 CE LYS A 24 -1.201 -6.683 20.202 1.00 0.00 C ATOM 383 NZ LYS A 24 -0.715 -7.955 20.807 1.00 0.00 N ATOM 0 H LYS A 24 -0.143 -5.898 15.709 1.00 0.00 H new ATOM 0 HA LYS A 24 0.943 -4.080 17.648 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.964 -6.789 16.712 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.454 -5.942 18.165 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.290 -7.114 17.594 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.904 -7.745 18.710 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.700 -5.664 20.098 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.502 -5.042 18.985 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.574 -6.027 20.989 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.040 -6.895 19.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.439 -8.332 21.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.526 -8.647 20.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.160 -7.774 21.339 1.00 0.00 H new ATOM 397 N GLU A 25 3.412 -3.797 16.761 1.00 0.00 N ATOM 398 CA GLU A 25 4.561 -3.093 16.190 1.00 0.00 C ATOM 399 C GLU A 25 5.330 -3.972 15.168 1.00 0.00 C ATOM 400 O GLU A 25 6.127 -3.455 14.381 1.00 0.00 O ATOM 401 CB GLU A 25 5.494 -2.610 17.335 1.00 0.00 C ATOM 402 CG GLU A 25 6.395 -1.427 16.941 1.00 0.00 C ATOM 403 CD GLU A 25 7.402 -1.035 18.039 1.00 0.00 C ATOM 404 OE1 GLU A 25 8.500 -1.628 18.082 1.00 0.00 O ATOM 405 OE2 GLU A 25 7.095 -0.152 18.872 1.00 0.00 O ATOM 0 H GLU A 25 3.482 -3.934 17.769 1.00 0.00 H new ATOM 0 HA GLU A 25 4.195 -2.227 15.639 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.884 -2.321 18.191 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.121 -3.442 17.656 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.940 -1.682 16.032 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.770 -0.565 16.707 1.00 0.00 H new ATOM 412 N ASP A 26 5.071 -5.299 15.163 1.00 0.00 N ATOM 413 CA ASP A 26 5.726 -6.228 14.210 1.00 0.00 C ATOM 414 C ASP A 26 4.722 -7.106 13.462 1.00 0.00 C ATOM 415 O ASP A 26 5.123 -8.071 12.797 1.00 0.00 O ATOM 416 CB ASP A 26 6.779 -7.118 14.933 1.00 0.00 C ATOM 417 CG ASP A 26 8.032 -6.340 15.336 1.00 0.00 C ATOM 418 OD1 ASP A 26 8.042 -5.717 16.416 1.00 0.00 O ATOM 419 OD2 ASP A 26 9.017 -6.334 14.564 1.00 0.00 O ATOM 0 H ASP A 26 4.418 -5.750 15.803 1.00 0.00 H new ATOM 0 HA ASP A 26 6.231 -5.606 13.471 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.328 -7.558 15.822 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.063 -7.942 14.279 1.00 0.00 H new ATOM 424 N GLU A 27 3.421 -6.767 13.535 1.00 0.00 N ATOM 425 CA GLU A 27 2.388 -7.505 12.789 1.00 0.00 C ATOM 426 C GLU A 27 2.520 -7.203 11.290 1.00 0.00 C ATOM 427 O GLU A 27 2.513 -8.116 10.454 1.00 0.00 O ATOM 428 CB GLU A 27 0.955 -7.183 13.310 1.00 0.00 C ATOM 429 CG GLU A 27 0.556 -7.941 14.588 1.00 0.00 C ATOM 430 CD GLU A 27 0.574 -9.471 14.438 1.00 0.00 C ATOM 431 OE1 GLU A 27 -0.398 -10.031 13.886 1.00 0.00 O ATOM 432 OE2 GLU A 27 1.548 -10.117 14.884 1.00 0.00 O ATOM 0 H GLU A 27 3.064 -5.995 14.097 1.00 0.00 H new ATOM 0 HA GLU A 27 2.544 -8.572 12.949 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.883 -6.112 13.500 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.236 -7.416 12.525 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.234 -7.657 15.393 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.444 -7.627 14.887 1.00 0.00 H new ATOM 439 N LEU A 28 2.663 -5.914 10.967 1.00 0.00 N ATOM 440 CA LEU A 28 2.820 -5.462 9.584 1.00 0.00 C ATOM 441 C LEU A 28 4.304 -5.479 9.197 1.00 0.00 C ATOM 442 O LEU A 28 5.114 -4.702 9.715 1.00 0.00 O ATOM 443 CB LEU A 28 2.182 -4.053 9.395 1.00 0.00 C ATOM 444 CG LEU A 28 0.629 -4.026 9.208 1.00 0.00 C ATOM 445 CD1 LEU A 28 0.214 -4.793 7.939 1.00 0.00 C ATOM 446 CD2 LEU A 28 -0.116 -4.563 10.456 1.00 0.00 C ATOM 0 H LEU A 28 2.673 -5.160 11.653 1.00 0.00 H new ATOM 0 HA LEU A 28 2.293 -6.144 8.917 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.435 -3.442 10.261 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.641 -3.581 8.527 1.00 0.00 H new ATOM 0 HG LEU A 28 0.336 -2.983 9.086 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.870 -4.759 7.832 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.679 -4.333 7.067 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.539 -5.830 8.018 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.191 -4.526 10.282 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.186 -5.593 10.645 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.133 -3.948 11.321 1.00 0.00 H new ATOM 458 N ASP A 29 4.627 -6.422 8.316 1.00 0.00 N ATOM 459 CA ASP A 29 5.937 -6.574 7.673 1.00 0.00 C ATOM 460 C ASP A 29 5.739 -6.359 6.160 1.00 0.00 C ATOM 461 O ASP A 29 4.596 -6.301 5.673 1.00 0.00 O ATOM 462 CB ASP A 29 6.511 -7.995 7.984 1.00 0.00 C ATOM 463 CG ASP A 29 7.933 -8.230 7.455 1.00 0.00 C ATOM 464 OD1 ASP A 29 8.894 -7.709 8.058 1.00 0.00 O ATOM 465 OD2 ASP A 29 8.099 -8.910 6.408 1.00 0.00 O ATOM 0 H ASP A 29 3.959 -7.132 8.016 1.00 0.00 H new ATOM 0 HA ASP A 29 6.654 -5.845 8.051 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.507 -8.148 9.063 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.847 -8.745 7.554 1.00 0.00 H new ATOM 470 N ASP A 30 6.848 -6.268 5.426 1.00 0.00 N ATOM 471 CA ASP A 30 6.836 -5.962 3.988 1.00 0.00 C ATOM 472 C ASP A 30 6.451 -7.191 3.142 1.00 0.00 C ATOM 473 O ASP A 30 6.073 -7.051 1.973 1.00 0.00 O ATOM 474 CB ASP A 30 8.198 -5.366 3.552 1.00 0.00 C ATOM 475 CG ASP A 30 9.383 -6.334 3.673 1.00 0.00 C ATOM 476 OD1 ASP A 30 9.696 -6.763 4.800 1.00 0.00 O ATOM 477 OD2 ASP A 30 10.023 -6.657 2.645 1.00 0.00 O ATOM 0 H ASP A 30 7.784 -6.404 5.809 1.00 0.00 H new ATOM 0 HA ASP A 30 6.066 -5.212 3.810 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.120 -5.034 2.517 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.404 -4.482 4.156 1.00 0.00 H new ATOM 482 N GLN A 31 6.544 -8.389 3.745 1.00 0.00 N ATOM 483 CA GLN A 31 6.124 -9.660 3.107 1.00 0.00 C ATOM 484 C GLN A 31 4.963 -10.328 3.868 1.00 0.00 C ATOM 485 O GLN A 31 4.637 -11.492 3.590 1.00 0.00 O ATOM 486 CB GLN A 31 7.315 -10.638 2.964 1.00 0.00 C ATOM 487 CG GLN A 31 8.379 -10.181 1.953 1.00 0.00 C ATOM 488 CD GLN A 31 9.373 -11.283 1.596 1.00 0.00 C ATOM 489 OE1 GLN A 31 9.700 -12.143 2.413 1.00 0.00 O ATOM 490 NE2 GLN A 31 9.833 -11.285 0.364 1.00 0.00 N ATOM 0 H GLN A 31 6.912 -8.509 4.689 1.00 0.00 H new ATOM 0 HA GLN A 31 5.765 -9.410 2.109 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.786 -10.767 3.939 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.936 -11.614 2.662 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.885 -9.836 1.045 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.921 -9.329 2.364 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.543 -10.558 -0.290 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.480 -12.014 0.062 1.00 0.00 H new ATOM 499 N THR A 32 4.349 -9.589 4.814 1.00 0.00 N ATOM 500 CA THR A 32 3.123 -10.026 5.503 1.00 0.00 C ATOM 501 C THR A 32 2.015 -10.306 4.460 1.00 0.00 C ATOM 502 O THR A 32 1.844 -9.505 3.537 1.00 0.00 O ATOM 503 CB THR A 32 2.670 -8.950 6.553 1.00 0.00 C ATOM 504 OG1 THR A 32 3.516 -9.035 7.710 1.00 0.00 O ATOM 505 CG2 THR A 32 1.198 -9.076 6.994 1.00 0.00 C ATOM 0 H THR A 32 4.689 -8.677 5.119 1.00 0.00 H new ATOM 0 HA THR A 32 3.321 -10.949 6.048 1.00 0.00 H new ATOM 0 HB THR A 32 2.760 -7.983 6.058 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.023 -8.728 8.499 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.967 -8.296 7.719 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.548 -8.968 6.126 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.037 -10.053 7.449 1.00 0.00 H new ATOM 513 N PRO A 33 1.300 -11.483 4.554 1.00 0.00 N ATOM 514 CA PRO A 33 0.199 -11.832 3.630 1.00 0.00 C ATOM 515 C PRO A 33 -1.026 -10.916 3.851 1.00 0.00 C ATOM 516 O PRO A 33 -1.979 -11.271 4.555 1.00 0.00 O ATOM 517 CB PRO A 33 -0.088 -13.319 3.974 1.00 0.00 C ATOM 518 CG PRO A 33 0.339 -13.476 5.408 1.00 0.00 C ATOM 519 CD PRO A 33 1.524 -12.549 5.578 1.00 0.00 C ATOM 0 HA PRO A 33 0.447 -11.695 2.577 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.144 -13.556 3.848 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.469 -13.990 3.320 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.469 -13.210 6.090 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.613 -14.508 5.626 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.564 -12.133 6.585 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.466 -13.071 5.411 1.00 0.00 H new ATOM 527 N LEU A 34 -0.950 -9.721 3.240 1.00 0.00 N ATOM 528 CA LEU A 34 -1.913 -8.621 3.432 1.00 0.00 C ATOM 529 C LEU A 34 -3.344 -9.052 3.045 1.00 0.00 C ATOM 530 O LEU A 34 -4.319 -8.768 3.759 1.00 0.00 O ATOM 531 CB LEU A 34 -1.461 -7.404 2.582 1.00 0.00 C ATOM 532 CG LEU A 34 -0.003 -6.883 2.825 1.00 0.00 C ATOM 533 CD1 LEU A 34 0.366 -5.762 1.837 1.00 0.00 C ATOM 534 CD2 LEU A 34 0.209 -6.435 4.292 1.00 0.00 C ATOM 0 H LEU A 34 -0.203 -9.487 2.586 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.933 -8.347 4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.557 -7.669 1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.152 -6.582 2.769 1.00 0.00 H new ATOM 0 HG LEU A 34 0.672 -7.719 2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.383 -5.424 2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.300 -6.140 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.324 -4.927 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.232 -6.081 4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.486 -5.630 4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.031 -7.278 4.959 1.00 0.00 H new ATOM 546 N LEU A 35 -3.440 -9.764 1.909 1.00 0.00 N ATOM 547 CA LEU A 35 -4.715 -10.264 1.375 1.00 0.00 C ATOM 548 C LEU A 35 -5.309 -11.359 2.281 1.00 0.00 C ATOM 549 O LEU A 35 -6.521 -11.397 2.506 1.00 0.00 O ATOM 550 CB LEU A 35 -4.515 -10.813 -0.049 1.00 0.00 C ATOM 551 CG LEU A 35 -3.962 -9.800 -1.094 1.00 0.00 C ATOM 552 CD1 LEU A 35 -3.676 -10.499 -2.432 1.00 0.00 C ATOM 553 CD2 LEU A 35 -4.911 -8.582 -1.277 1.00 0.00 C ATOM 0 H LEU A 35 -2.633 -10.009 1.335 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.416 -9.430 1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.834 -11.662 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.471 -11.192 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.019 -9.410 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.291 -9.772 -3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.937 -11.286 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.597 -10.935 -2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.489 -7.899 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.886 -8.929 -1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.025 -8.063 -0.325 1.00 0.00 H new ATOM 565 N GLU A 36 -4.430 -12.236 2.807 1.00 0.00 N ATOM 566 CA GLU A 36 -4.834 -13.392 3.636 1.00 0.00 C ATOM 567 C GLU A 36 -5.338 -12.942 5.013 1.00 0.00 C ATOM 568 O GLU A 36 -6.152 -13.624 5.642 1.00 0.00 O ATOM 569 CB GLU A 36 -3.656 -14.384 3.779 1.00 0.00 C ATOM 570 CG GLU A 36 -3.143 -14.961 2.441 1.00 0.00 C ATOM 571 CD GLU A 36 -4.222 -15.750 1.685 1.00 0.00 C ATOM 572 OE1 GLU A 36 -4.381 -16.958 1.943 1.00 0.00 O ATOM 573 OE2 GLU A 36 -4.944 -15.157 0.854 1.00 0.00 O ATOM 0 H GLU A 36 -3.422 -12.164 2.670 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.659 -13.898 3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.832 -13.880 4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.967 -15.208 4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.786 -14.146 1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.290 -15.612 2.634 1.00 0.00 H new ATOM 580 N TRP A 37 -4.821 -11.796 5.475 1.00 0.00 N ATOM 581 CA TRP A 37 -5.289 -11.143 6.706 1.00 0.00 C ATOM 582 C TRP A 37 -6.633 -10.426 6.470 1.00 0.00 C ATOM 583 O TRP A 37 -7.384 -10.175 7.424 1.00 0.00 O ATOM 584 CB TRP A 37 -4.221 -10.130 7.196 1.00 0.00 C ATOM 585 CG TRP A 37 -3.000 -10.753 7.833 1.00 0.00 C ATOM 586 CD1 TRP A 37 -2.471 -11.999 7.611 1.00 0.00 C ATOM 587 CD2 TRP A 37 -2.159 -10.134 8.808 1.00 0.00 C ATOM 588 NE1 TRP A 37 -1.368 -12.188 8.401 1.00 0.00 N ATOM 589 CE2 TRP A 37 -1.155 -11.063 9.143 1.00 0.00 C ATOM 590 CE3 TRP A 37 -2.166 -8.882 9.435 1.00 0.00 C ATOM 591 CZ2 TRP A 37 -0.171 -10.782 10.072 1.00 0.00 C ATOM 592 CZ3 TRP A 37 -1.182 -8.602 10.357 1.00 0.00 C ATOM 593 CH2 TRP A 37 -0.199 -9.554 10.667 1.00 0.00 C ATOM 0 H TRP A 37 -4.066 -11.295 5.006 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.442 -11.906 7.470 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.901 -9.523 6.349 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.684 -9.455 7.916 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.866 -12.725 6.915 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.798 -13.033 8.430 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.926 -8.152 9.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.591 -11.507 10.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.167 -7.639 10.847 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.557 -9.308 11.398 1.00 0.00 H new ATOM 604 N GLY A 38 -6.917 -10.093 5.192 1.00 0.00 N ATOM 605 CA GLY A 38 -8.154 -9.407 4.810 1.00 0.00 C ATOM 606 C GLY A 38 -8.125 -7.921 5.131 1.00 0.00 C ATOM 607 O GLY A 38 -9.133 -7.230 4.987 1.00 0.00 O ATOM 0 H GLY A 38 -6.296 -10.293 4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.323 -9.540 3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.995 -9.870 5.326 1.00 0.00 H new ATOM 611 N ILE A 39 -6.938 -7.436 5.532 1.00 0.00 N ATOM 612 CA ILE A 39 -6.709 -6.036 5.922 1.00 0.00 C ATOM 613 C ILE A 39 -6.697 -5.109 4.693 1.00 0.00 C ATOM 614 O ILE A 39 -6.706 -3.887 4.838 1.00 0.00 O ATOM 615 CB ILE A 39 -5.376 -5.905 6.738 1.00 0.00 C ATOM 616 CG1 ILE A 39 -4.139 -6.293 5.863 1.00 0.00 C ATOM 617 CG2 ILE A 39 -5.458 -6.777 8.021 1.00 0.00 C ATOM 618 CD1 ILE A 39 -2.801 -6.206 6.568 1.00 0.00 C ATOM 0 H ILE A 39 -6.100 -8.014 5.595 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.535 -5.723 6.561 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.246 -4.864 7.034 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.275 -7.312 5.500 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.114 -5.643 4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.530 -6.683 8.585 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.292 -6.441 8.637 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.610 -7.820 7.743 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.007 -6.494 5.879 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.634 -5.184 6.907 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.798 -6.878 7.426 1.00 0.00 H new ATOM 630 N LEU A 40 -6.627 -5.717 3.487 1.00 0.00 N ATOM 631 CA LEU A 40 -6.826 -5.019 2.212 1.00 0.00 C ATOM 632 C LEU A 40 -8.167 -5.488 1.630 1.00 0.00 C ATOM 633 O LEU A 40 -8.283 -6.606 1.129 1.00 0.00 O ATOM 634 CB LEU A 40 -5.677 -5.295 1.198 1.00 0.00 C ATOM 635 CG LEU A 40 -4.224 -4.941 1.656 1.00 0.00 C ATOM 636 CD1 LEU A 40 -3.234 -5.053 0.475 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.151 -3.548 2.326 1.00 0.00 C ATOM 0 H LEU A 40 -6.429 -6.712 3.379 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.826 -3.944 2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.702 -6.353 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.890 -4.738 0.286 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.932 -5.670 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.230 -4.802 0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.242 -6.072 0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.531 -4.363 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.124 -3.343 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.480 -2.786 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.798 -3.532 3.203 1.00 0.00 H new ATOM 649 N ASN A 41 -9.181 -4.641 1.786 1.00 0.00 N ATOM 650 CA ASN A 41 -10.540 -4.858 1.263 1.00 0.00 C ATOM 651 C ASN A 41 -10.996 -3.572 0.557 1.00 0.00 C ATOM 652 O ASN A 41 -10.491 -2.486 0.871 1.00 0.00 O ATOM 653 CB ASN A 41 -11.508 -5.219 2.432 1.00 0.00 C ATOM 654 CG ASN A 41 -12.964 -5.455 1.994 1.00 0.00 C ATOM 655 OD1 ASN A 41 -13.225 -5.972 0.909 1.00 0.00 O ATOM 656 ND2 ASN A 41 -13.912 -5.047 2.817 1.00 0.00 N ATOM 0 H ASN A 41 -9.085 -3.760 2.292 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.546 -5.686 0.554 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.140 -6.116 2.930 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.487 -4.415 3.168 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -14.893 -5.157 2.560 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.664 -4.622 3.710 1.00 0.00 H new ATOM 663 N SER A 42 -11.960 -3.718 -0.376 1.00 0.00 N ATOM 664 CA SER A 42 -12.552 -2.617 -1.172 1.00 0.00 C ATOM 665 C SER A 42 -13.024 -1.430 -0.294 1.00 0.00 C ATOM 666 O SER A 42 -13.024 -0.277 -0.739 1.00 0.00 O ATOM 667 CB SER A 42 -13.725 -3.195 -2.011 1.00 0.00 C ATOM 668 OG SER A 42 -14.438 -2.219 -2.759 1.00 0.00 O ATOM 0 H SER A 42 -12.360 -4.628 -0.604 1.00 0.00 H new ATOM 0 HA SER A 42 -11.783 -2.210 -1.829 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.332 -3.947 -2.696 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.419 -3.704 -1.343 1.00 0.00 H new ATOM 673 N MET A 43 -13.385 -1.715 0.963 1.00 0.00 N ATOM 674 CA MET A 43 -13.814 -0.682 1.915 1.00 0.00 C ATOM 675 C MET A 43 -12.625 0.205 2.334 1.00 0.00 C ATOM 676 O MET A 43 -12.643 1.421 2.118 1.00 0.00 O ATOM 677 CB MET A 43 -14.500 -1.337 3.139 1.00 0.00 C ATOM 678 CG MET A 43 -15.745 -2.191 2.803 1.00 0.00 C ATOM 679 SD MET A 43 -17.100 -1.253 2.036 1.00 0.00 S ATOM 680 CE MET A 43 -16.758 -1.327 0.262 1.00 0.00 C ATOM 0 H MET A 43 -13.388 -2.660 1.347 1.00 0.00 H new ATOM 0 HA MET A 43 -14.543 -0.034 1.428 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.773 -1.966 3.652 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.792 -0.553 3.837 1.00 0.00 H new ATOM 0 HG2 MET A 43 -15.449 -2.997 2.132 1.00 0.00 H new ATOM 0 HG3 MET A 43 -16.111 -2.656 3.718 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.506 -0.331 -0.102 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.921 -2.002 0.081 1.00 0.00 H new ATOM 0 HE3 MET A 43 -17.640 -1.693 -0.264 1.00 0.00 H new ATOM 690 N ASN A 44 -11.576 -0.423 2.886 1.00 0.00 N ATOM 691 CA ASN A 44 -10.430 0.302 3.488 1.00 0.00 C ATOM 692 C ASN A 44 -9.390 0.755 2.445 1.00 0.00 C ATOM 693 O ASN A 44 -8.534 1.600 2.747 1.00 0.00 O ATOM 694 CB ASN A 44 -9.744 -0.563 4.580 1.00 0.00 C ATOM 695 CG ASN A 44 -9.172 -1.868 4.035 1.00 0.00 C ATOM 696 OD1 ASN A 44 -9.833 -2.901 4.061 1.00 0.00 O ATOM 697 ND2 ASN A 44 -7.961 -1.821 3.492 1.00 0.00 N ATOM 0 H ASN A 44 -11.491 -1.438 2.931 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.843 1.203 3.943 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.943 0.014 5.042 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.467 -0.789 5.364 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.554 -2.661 3.080 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.438 -0.945 3.487 1.00 0.00 H new ATOM 704 N ILE A 45 -9.468 0.178 1.231 1.00 0.00 N ATOM 705 CA ILE A 45 -8.467 0.372 0.155 1.00 0.00 C ATOM 706 C ILE A 45 -8.333 1.863 -0.256 1.00 0.00 C ATOM 707 O ILE A 45 -7.252 2.311 -0.654 1.00 0.00 O ATOM 708 CB ILE A 45 -8.839 -0.500 -1.112 1.00 0.00 C ATOM 709 CG1 ILE A 45 -7.608 -0.704 -2.052 1.00 0.00 C ATOM 710 CG2 ILE A 45 -10.045 0.089 -1.891 1.00 0.00 C ATOM 711 CD1 ILE A 45 -6.587 -1.711 -1.543 1.00 0.00 C ATOM 0 H ILE A 45 -10.233 -0.442 0.963 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.505 0.047 0.551 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.140 -1.480 -0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.963 -1.028 -3.030 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.113 0.256 -2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.265 -0.542 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.917 0.127 -1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.802 1.096 -2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.767 -1.790 -2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.199 -1.380 -0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.063 -2.685 -1.428 1.00 0.00 H new ATOM 723 N VAL A 46 -9.448 2.612 -0.119 1.00 0.00 N ATOM 724 CA VAL A 46 -9.553 4.009 -0.552 1.00 0.00 C ATOM 725 C VAL A 46 -8.653 4.939 0.294 1.00 0.00 C ATOM 726 O VAL A 46 -8.084 5.904 -0.245 1.00 0.00 O ATOM 727 CB VAL A 46 -11.052 4.505 -0.532 1.00 0.00 C ATOM 728 CG1 VAL A 46 -11.907 3.717 -1.563 1.00 0.00 C ATOM 729 CG2 VAL A 46 -11.677 4.420 0.891 1.00 0.00 C ATOM 0 H VAL A 46 -10.306 2.254 0.301 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.197 4.054 -1.581 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.049 5.557 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.936 4.075 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.501 3.867 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.885 2.655 -1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.708 4.771 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.657 3.386 1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.104 5.043 1.578 1.00 0.00 H new ATOM 739 N LYS A 47 -8.498 4.620 1.605 1.00 0.00 N ATOM 740 CA LYS A 47 -7.618 5.391 2.506 1.00 0.00 C ATOM 741 C LYS A 47 -6.141 5.180 2.132 1.00 0.00 C ATOM 742 O LYS A 47 -5.310 6.058 2.375 1.00 0.00 O ATOM 743 CB LYS A 47 -7.853 5.073 4.011 1.00 0.00 C ATOM 744 CG LYS A 47 -9.195 5.606 4.588 1.00 0.00 C ATOM 745 CD LYS A 47 -10.372 4.625 4.400 1.00 0.00 C ATOM 746 CE LYS A 47 -10.247 3.379 5.295 1.00 0.00 C ATOM 747 NZ LYS A 47 -10.304 3.705 6.741 1.00 0.00 N ATOM 0 H LYS A 47 -8.971 3.837 2.055 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.877 6.441 2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.818 3.992 4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.032 5.495 4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.069 5.812 5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.439 6.553 4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.308 5.137 4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.420 4.316 3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.048 2.681 5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.306 2.873 5.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.700 2.898 7.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.345 3.906 7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.907 4.540 6.885 1.00 0.00 H new ATOM 761 N LEU A 48 -5.818 4.013 1.545 1.00 0.00 N ATOM 762 CA LEU A 48 -4.469 3.749 1.040 1.00 0.00 C ATOM 763 C LEU A 48 -4.219 4.545 -0.248 1.00 0.00 C ATOM 764 O LEU A 48 -3.181 5.172 -0.367 1.00 0.00 O ATOM 765 CB LEU A 48 -4.220 2.231 0.829 1.00 0.00 C ATOM 766 CG LEU A 48 -4.138 1.377 2.130 1.00 0.00 C ATOM 767 CD1 LEU A 48 -3.883 -0.104 1.797 1.00 0.00 C ATOM 768 CD2 LEU A 48 -3.065 1.931 3.111 1.00 0.00 C ATOM 0 H LEU A 48 -6.474 3.244 1.412 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.755 4.082 1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.019 1.833 0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.290 2.107 0.275 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.101 1.447 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.830 -0.681 2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.697 -0.483 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.942 -0.198 1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.036 1.311 4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.088 1.916 2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.318 2.955 3.387 1.00 0.00 H new ATOM 780 N MET A 49 -5.193 4.555 -1.182 1.00 0.00 N ATOM 781 CA MET A 49 -5.079 5.310 -2.461 1.00 0.00 C ATOM 782 C MET A 49 -4.685 6.775 -2.213 1.00 0.00 C ATOM 783 O MET A 49 -3.739 7.289 -2.825 1.00 0.00 O ATOM 784 CB MET A 49 -6.412 5.290 -3.239 1.00 0.00 C ATOM 785 CG MET A 49 -6.891 3.914 -3.668 1.00 0.00 C ATOM 786 SD MET A 49 -8.461 4.018 -4.541 1.00 0.00 S ATOM 787 CE MET A 49 -8.903 2.297 -4.642 1.00 0.00 C ATOM 0 H MET A 49 -6.073 4.049 -1.079 1.00 0.00 H new ATOM 0 HA MET A 49 -4.303 4.818 -3.047 1.00 0.00 H new ATOM 0 HB2 MET A 49 -7.183 5.748 -2.619 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.305 5.913 -4.127 1.00 0.00 H new ATOM 0 HG2 MET A 49 -6.144 3.450 -4.311 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.000 3.274 -2.792 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.824 1.961 -5.676 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.229 1.711 -4.018 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.927 2.163 -4.294 1.00 0.00 H new ATOM 797 N VAL A 50 -5.413 7.412 -1.276 1.00 0.00 N ATOM 798 CA VAL A 50 -5.193 8.823 -0.909 1.00 0.00 C ATOM 799 C VAL A 50 -3.865 8.998 -0.133 1.00 0.00 C ATOM 800 O VAL A 50 -3.216 10.036 -0.252 1.00 0.00 O ATOM 801 CB VAL A 50 -6.394 9.438 -0.090 1.00 0.00 C ATOM 802 CG1 VAL A 50 -7.726 9.299 -0.875 1.00 0.00 C ATOM 803 CG2 VAL A 50 -6.507 8.824 1.331 1.00 0.00 C ATOM 0 H VAL A 50 -6.167 6.965 -0.754 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.130 9.375 -1.847 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.188 10.500 0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.539 9.730 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.644 9.825 -1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.931 8.245 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.347 9.277 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.666 7.749 1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.587 9.014 1.884 1.00 0.00 H new ATOM 813 N TYR A 51 -3.464 7.965 0.640 1.00 0.00 N ATOM 814 CA TYR A 51 -2.211 7.984 1.413 1.00 0.00 C ATOM 815 C TYR A 51 -0.995 8.039 0.467 1.00 0.00 C ATOM 816 O TYR A 51 -0.097 8.869 0.645 1.00 0.00 O ATOM 817 CB TYR A 51 -2.122 6.757 2.353 1.00 0.00 C ATOM 818 CG TYR A 51 -0.811 6.721 3.152 1.00 0.00 C ATOM 819 CD1 TYR A 51 -0.630 7.547 4.267 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.258 5.905 2.762 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.563 7.559 4.958 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.440 5.913 3.458 1.00 0.00 C ATOM 823 CZ TYR A 51 1.589 6.741 4.551 1.00 0.00 C ATOM 824 OH TYR A 51 2.780 6.762 5.229 1.00 0.00 O ATOM 0 H TYR A 51 -3.998 7.102 0.743 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.205 8.881 2.032 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.965 6.771 3.044 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.209 5.845 1.763 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.438 8.186 4.592 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.150 5.261 1.902 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.690 8.207 5.813 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.253 5.272 3.151 1.00 0.00 H new ATOM 0 HH TYR A 51 2.618 6.990 6.168 1.00 0.00 H new ATOM 834 N ILE A 52 -0.988 7.142 -0.539 1.00 0.00 N ATOM 835 CA ILE A 52 0.049 7.113 -1.594 1.00 0.00 C ATOM 836 C ILE A 52 -0.057 8.397 -2.457 1.00 0.00 C ATOM 837 O ILE A 52 0.941 8.894 -2.966 1.00 0.00 O ATOM 838 CB ILE A 52 -0.031 5.788 -2.491 1.00 0.00 C ATOM 839 CG1 ILE A 52 0.413 4.493 -1.701 1.00 0.00 C ATOM 840 CG2 ILE A 52 0.816 5.906 -3.785 1.00 0.00 C ATOM 841 CD1 ILE A 52 -0.472 4.043 -0.557 1.00 0.00 C ATOM 0 H ILE A 52 -1.699 6.418 -0.645 1.00 0.00 H new ATOM 0 HA ILE A 52 1.027 7.088 -1.113 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.082 5.688 -2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.488 3.672 -2.414 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.414 4.665 -1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.731 4.984 -4.361 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.453 6.742 -4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.860 6.075 -3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.052 3.145 -0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.531 4.834 0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.471 3.825 -0.934 1.00 0.00 H new ATOM 853 N ARG A 53 -1.277 8.958 -2.557 1.00 0.00 N ATOM 854 CA ARG A 53 -1.536 10.209 -3.296 1.00 0.00 C ATOM 855 C ARG A 53 -0.897 11.433 -2.598 1.00 0.00 C ATOM 856 O ARG A 53 -0.634 12.448 -3.247 1.00 0.00 O ATOM 857 CB ARG A 53 -3.064 10.385 -3.500 1.00 0.00 C ATOM 858 CG ARG A 53 -3.502 11.628 -4.297 1.00 0.00 C ATOM 859 CD ARG A 53 -2.828 11.713 -5.671 1.00 0.00 C ATOM 860 NE ARG A 53 -3.401 12.787 -6.490 1.00 0.00 N ATOM 861 CZ ARG A 53 -2.888 13.253 -7.630 1.00 0.00 C ATOM 862 NH1 ARG A 53 -1.757 12.761 -8.123 1.00 0.00 N ATOM 863 NH2 ARG A 53 -3.523 14.213 -8.273 1.00 0.00 N ATOM 0 H ARG A 53 -2.111 8.557 -2.128 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.063 10.141 -4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.447 9.500 -4.008 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.539 10.421 -2.520 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.584 11.609 -4.427 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.266 12.525 -3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.759 11.884 -5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.938 10.761 -6.190 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.266 13.214 -6.159 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.267 12.015 -7.629 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.379 13.129 -8.996 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.394 14.589 -7.898 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.143 14.580 -9.146 1.00 0.00 H new ATOM 877 N ASP A 54 -0.646 11.344 -1.284 1.00 0.00 N ATOM 878 CA ASP A 54 0.070 12.406 -0.546 1.00 0.00 C ATOM 879 C ASP A 54 1.575 12.098 -0.468 1.00 0.00 C ATOM 880 O ASP A 54 2.395 12.841 -1.008 1.00 0.00 O ATOM 881 CB ASP A 54 -0.533 12.587 0.875 1.00 0.00 C ATOM 882 CG ASP A 54 -1.936 13.215 0.842 1.00 0.00 C ATOM 883 OD1 ASP A 54 -2.043 14.443 0.632 1.00 0.00 O ATOM 884 OD2 ASP A 54 -2.934 12.496 1.011 1.00 0.00 O ATOM 0 H ASP A 54 -0.926 10.551 -0.707 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.054 13.343 -1.090 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.584 11.618 1.371 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.129 13.216 1.470 1.00 0.00 H new ATOM 889 N GLU A 55 1.912 10.960 0.147 1.00 0.00 N ATOM 890 CA GLU A 55 3.305 10.592 0.488 1.00 0.00 C ATOM 891 C GLU A 55 4.150 10.203 -0.743 1.00 0.00 C ATOM 892 O GLU A 55 5.378 10.317 -0.713 1.00 0.00 O ATOM 893 CB GLU A 55 3.292 9.448 1.529 1.00 0.00 C ATOM 894 CG GLU A 55 2.696 9.838 2.894 1.00 0.00 C ATOM 895 CD GLU A 55 3.455 11.000 3.546 1.00 0.00 C ATOM 896 OE1 GLU A 55 4.593 10.789 4.014 1.00 0.00 O ATOM 897 OE2 GLU A 55 2.947 12.137 3.555 1.00 0.00 O ATOM 0 H GLU A 55 1.227 10.258 0.427 1.00 0.00 H new ATOM 0 HA GLU A 55 3.783 11.476 0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.724 8.611 1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.313 9.098 1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.650 10.116 2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.717 8.974 3.558 1.00 0.00 H new ATOM 904 N MET A 56 3.487 9.718 -1.798 1.00 0.00 N ATOM 905 CA MET A 56 4.142 9.373 -3.083 1.00 0.00 C ATOM 906 C MET A 56 3.582 10.228 -4.243 1.00 0.00 C ATOM 907 O MET A 56 4.088 10.144 -5.358 1.00 0.00 O ATOM 908 CB MET A 56 3.984 7.848 -3.385 1.00 0.00 C ATOM 909 CG MET A 56 5.003 6.927 -2.669 1.00 0.00 C ATOM 910 SD MET A 56 4.242 5.523 -1.830 1.00 0.00 S ATOM 911 CE MET A 56 3.472 6.323 -0.438 1.00 0.00 C ATOM 0 H MET A 56 2.481 9.550 -1.794 1.00 0.00 H new ATOM 0 HA MET A 56 5.205 9.596 -2.992 1.00 0.00 H new ATOM 0 HB2 MET A 56 2.978 7.540 -3.102 1.00 0.00 H new ATOM 0 HB3 MET A 56 4.073 7.695 -4.461 1.00 0.00 H new ATOM 0 HG2 MET A 56 5.722 6.557 -3.400 1.00 0.00 H new ATOM 0 HG3 MET A 56 5.563 7.515 -1.941 1.00 0.00 H new ATOM 0 HE1 MET A 56 2.644 5.712 -0.079 1.00 0.00 H new ATOM 0 HE2 MET A 56 4.203 6.447 0.361 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.097 7.300 -0.742 1.00 0.00 H new ATOM 921 N GLY A 57 2.524 11.026 -3.977 1.00 0.00 N ATOM 922 CA GLY A 57 1.914 11.896 -5.000 1.00 0.00 C ATOM 923 C GLY A 57 1.142 11.138 -6.087 1.00 0.00 C ATOM 924 O GLY A 57 0.747 11.736 -7.092 1.00 0.00 O ATOM 0 H GLY A 57 2.077 11.084 -3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.237 12.596 -4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.698 12.488 -5.472 1.00 0.00 H new ATOM 928 N VAL A 58 0.888 9.833 -5.861 1.00 0.00 N ATOM 929 CA VAL A 58 0.333 8.921 -6.885 1.00 0.00 C ATOM 930 C VAL A 58 -1.102 8.513 -6.538 1.00 0.00 C ATOM 931 O VAL A 58 -1.342 7.907 -5.486 1.00 0.00 O ATOM 932 CB VAL A 58 1.186 7.609 -7.014 1.00 0.00 C ATOM 933 CG1 VAL A 58 0.659 6.694 -8.152 1.00 0.00 C ATOM 934 CG2 VAL A 58 2.677 7.923 -7.190 1.00 0.00 C ATOM 0 H VAL A 58 1.062 9.380 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 58 0.354 9.468 -7.828 1.00 0.00 H new ATOM 0 HB VAL A 58 1.077 7.059 -6.079 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.274 5.796 -8.211 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.374 6.414 -7.945 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.706 7.229 -9.100 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.237 6.992 -7.276 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.820 8.517 -8.093 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.035 8.483 -6.326 1.00 0.00 H new ATOM 944 N SER A 59 -2.041 8.837 -7.431 1.00 0.00 N ATOM 945 CA SER A 59 -3.405 8.319 -7.369 1.00 0.00 C ATOM 946 C SER A 59 -3.408 6.915 -7.990 1.00 0.00 C ATOM 947 O SER A 59 -3.090 6.754 -9.172 1.00 0.00 O ATOM 948 CB SER A 59 -4.366 9.261 -8.120 1.00 0.00 C ATOM 949 OG SER A 59 -5.709 8.813 -8.043 1.00 0.00 O ATOM 0 H SER A 59 -1.874 9.466 -8.216 1.00 0.00 H new ATOM 0 HA SER A 59 -3.746 8.262 -6.335 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.293 10.265 -7.701 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.065 9.330 -9.165 1.00 0.00 H new ATOM 0 HG SER A 59 -6.290 9.435 -8.529 1.00 0.00 H new ATOM 955 N ILE A 60 -3.714 5.904 -7.169 1.00 0.00 N ATOM 956 CA ILE A 60 -3.776 4.510 -7.621 1.00 0.00 C ATOM 957 C ILE A 60 -5.140 4.284 -8.307 1.00 0.00 C ATOM 958 O ILE A 60 -6.174 4.385 -7.634 1.00 0.00 O ATOM 959 CB ILE A 60 -3.592 3.492 -6.428 1.00 0.00 C ATOM 960 CG1 ILE A 60 -2.285 3.802 -5.619 1.00 0.00 C ATOM 961 CG2 ILE A 60 -3.586 2.027 -6.953 1.00 0.00 C ATOM 962 CD1 ILE A 60 -2.080 2.928 -4.380 1.00 0.00 C ATOM 0 H ILE A 60 -3.924 6.028 -6.179 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.959 4.330 -8.319 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.438 3.608 -5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.427 3.680 -6.280 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.303 4.847 -5.311 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.458 1.341 -6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.531 1.816 -7.454 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.765 1.896 -7.658 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.152 3.212 -3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.916 3.067 -3.694 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.026 1.881 -4.678 1.00 0.00 H new ATOM 974 N PRO A 61 -5.170 4.001 -9.655 1.00 0.00 N ATOM 975 CA PRO A 61 -6.437 3.726 -10.377 1.00 0.00 C ATOM 976 C PRO A 61 -7.081 2.415 -9.863 1.00 0.00 C ATOM 977 O PRO A 61 -6.362 1.483 -9.530 1.00 0.00 O ATOM 978 CB PRO A 61 -5.992 3.616 -11.858 1.00 0.00 C ATOM 979 CG PRO A 61 -4.534 3.241 -11.806 1.00 0.00 C ATOM 980 CD PRO A 61 -3.985 3.914 -10.564 1.00 0.00 C ATOM 0 HA PRO A 61 -7.197 4.494 -10.234 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.574 2.862 -12.389 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.137 4.560 -12.384 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.409 2.159 -11.754 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.010 3.580 -12.700 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.179 3.333 -10.117 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.580 4.900 -10.789 1.00 0.00 H new ATOM 988 N SER A 62 -8.425 2.367 -9.807 1.00 0.00 N ATOM 989 CA SER A 62 -9.179 1.227 -9.219 1.00 0.00 C ATOM 990 C SER A 62 -8.983 -0.076 -10.032 1.00 0.00 C ATOM 991 O SER A 62 -9.043 -1.181 -9.473 1.00 0.00 O ATOM 992 CB SER A 62 -10.673 1.607 -9.100 1.00 0.00 C ATOM 993 OG SER A 62 -11.211 2.004 -10.351 1.00 0.00 O ATOM 0 H SER A 62 -9.024 3.111 -10.165 1.00 0.00 H new ATOM 0 HA SER A 62 -8.786 1.026 -8.223 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.236 0.757 -8.714 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.787 2.418 -8.380 1.00 0.00 H new ATOM 0 HG SER A 62 -12.157 2.236 -10.242 1.00 0.00 H new ATOM 999 N THR A 63 -8.690 0.082 -11.338 1.00 0.00 N ATOM 1000 CA THR A 63 -8.339 -1.025 -12.244 1.00 0.00 C ATOM 1001 C THR A 63 -7.013 -1.707 -11.820 1.00 0.00 C ATOM 1002 O THR A 63 -6.768 -2.869 -12.158 1.00 0.00 O ATOM 1003 CB THR A 63 -8.221 -0.517 -13.730 1.00 0.00 C ATOM 1004 OG1 THR A 63 -7.935 -1.603 -14.628 1.00 0.00 O ATOM 1005 CG2 THR A 63 -7.141 0.577 -13.905 1.00 0.00 C ATOM 0 H THR A 63 -8.691 0.993 -11.797 1.00 0.00 H new ATOM 0 HA THR A 63 -9.141 -1.760 -12.180 1.00 0.00 H new ATOM 0 HB THR A 63 -9.190 -0.080 -13.973 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.868 -1.261 -15.544 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.105 0.889 -14.949 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.387 1.434 -13.279 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.170 0.180 -13.611 1.00 0.00 H new ATOM 1013 N HIS A 64 -6.167 -0.961 -11.084 1.00 0.00 N ATOM 1014 CA HIS A 64 -4.850 -1.438 -10.638 1.00 0.00 C ATOM 1015 C HIS A 64 -4.951 -2.328 -9.382 1.00 0.00 C ATOM 1016 O HIS A 64 -4.070 -3.179 -9.157 1.00 0.00 O ATOM 1017 CB HIS A 64 -3.920 -0.226 -10.348 1.00 0.00 C ATOM 1018 CG HIS A 64 -2.596 -0.629 -9.816 1.00 0.00 C ATOM 1019 ND1 HIS A 64 -2.330 -0.682 -8.469 1.00 0.00 N ATOM 1020 CD2 HIS A 64 -1.485 -1.066 -10.443 1.00 0.00 C ATOM 1021 CE1 HIS A 64 -1.133 -1.153 -8.291 1.00 0.00 C ATOM 1022 NE2 HIS A 64 -0.598 -1.392 -9.478 1.00 0.00 N ATOM 0 H HIS A 64 -6.381 -0.010 -10.783 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.432 -2.045 -11.441 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.779 0.345 -11.266 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.407 0.436 -9.632 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -2.970 -0.397 -7.728 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.334 -1.141 -11.510 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.655 -1.321 -7.337 1.00 0.00 H new ATOM 1031 N ILE A 65 -6.020 -2.148 -8.565 1.00 0.00 N ATOM 1032 CA ILE A 65 -6.148 -2.889 -7.291 1.00 0.00 C ATOM 1033 C ILE A 65 -6.574 -4.327 -7.608 1.00 0.00 C ATOM 1034 O ILE A 65 -7.744 -4.612 -7.848 1.00 0.00 O ATOM 1035 CB ILE A 65 -7.111 -2.240 -6.208 1.00 0.00 C ATOM 1036 CG1 ILE A 65 -6.653 -0.797 -5.780 1.00 0.00 C ATOM 1037 CG2 ILE A 65 -7.185 -3.151 -4.945 1.00 0.00 C ATOM 1038 CD1 ILE A 65 -6.799 0.276 -6.802 1.00 0.00 C ATOM 0 H ILE A 65 -6.790 -1.509 -8.763 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.167 -2.854 -6.817 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.094 -2.152 -6.671 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.221 -0.506 -4.897 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.605 -0.845 -5.483 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.848 -2.698 -4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.571 -4.131 -5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.188 -3.262 -4.517 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.450 1.222 -6.388 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.206 0.024 -7.681 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.847 0.368 -7.085 1.00 0.00 H new ATOM 1050 N THR A 66 -5.571 -5.191 -7.705 1.00 0.00 N ATOM 1051 CA THR A 66 -5.740 -6.627 -7.905 1.00 0.00 C ATOM 1052 C THR A 66 -4.850 -7.355 -6.889 1.00 0.00 C ATOM 1053 O THR A 66 -3.899 -6.763 -6.353 1.00 0.00 O ATOM 1054 CB THR A 66 -5.344 -7.052 -9.367 1.00 0.00 C ATOM 1055 OG1 THR A 66 -3.981 -6.691 -9.621 1.00 0.00 O ATOM 1056 CG2 THR A 66 -6.244 -6.398 -10.435 1.00 0.00 C ATOM 0 H THR A 66 -4.593 -4.907 -7.645 1.00 0.00 H new ATOM 0 HA THR A 66 -6.788 -6.891 -7.761 1.00 0.00 H new ATOM 0 HB THR A 66 -5.476 -8.132 -9.435 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.736 -6.958 -10.532 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.928 -6.724 -11.426 1.00 0.00 H new ATOM 0 HG22 THR A 66 -7.280 -6.693 -10.268 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.161 -5.313 -10.366 1.00 0.00 H new ATOM 1064 N GLY A 67 -5.137 -8.644 -6.669 1.00 0.00 N ATOM 1065 CA GLY A 67 -4.381 -9.469 -5.721 1.00 0.00 C ATOM 1066 C GLY A 67 -2.947 -9.750 -6.155 1.00 0.00 C ATOM 1067 O GLY A 67 -2.136 -10.229 -5.357 1.00 0.00 O ATOM 0 H GLY A 67 -5.894 -9.141 -7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.366 -8.970 -4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.901 -10.417 -5.584 1.00 0.00 H new ATOM 1071 N LYS A 68 -2.642 -9.437 -7.422 1.00 0.00 N ATOM 1072 CA LYS A 68 -1.292 -9.551 -7.973 1.00 0.00 C ATOM 1073 C LYS A 68 -0.401 -8.420 -7.413 1.00 0.00 C ATOM 1074 O LYS A 68 0.644 -8.670 -6.802 1.00 0.00 O ATOM 1075 CB LYS A 68 -1.356 -9.463 -9.522 1.00 0.00 C ATOM 1076 CG LYS A 68 -2.342 -10.461 -10.180 1.00 0.00 C ATOM 1077 CD LYS A 68 -2.362 -10.356 -11.721 1.00 0.00 C ATOM 1078 CE LYS A 68 -2.742 -8.950 -12.218 1.00 0.00 C ATOM 1079 NZ LYS A 68 -2.717 -8.860 -13.691 1.00 0.00 N ATOM 0 H LYS A 68 -3.330 -9.097 -8.093 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.863 -10.511 -7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.641 -8.450 -9.805 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.358 -9.638 -9.925 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.069 -11.477 -9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.346 -10.280 -9.795 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.379 -10.621 -12.111 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.070 -11.082 -12.121 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.738 -8.694 -11.856 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.052 -8.218 -11.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.979 -7.897 -13.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.761 -9.079 -14.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.394 -9.540 -14.092 1.00 0.00 H new ATOM 1093 N TYR A 69 -0.878 -7.175 -7.561 1.00 0.00 N ATOM 1094 CA TYR A 69 -0.101 -5.969 -7.206 1.00 0.00 C ATOM 1095 C TYR A 69 -0.192 -5.655 -5.703 1.00 0.00 C ATOM 1096 O TYR A 69 0.537 -4.797 -5.216 1.00 0.00 O ATOM 1097 CB TYR A 69 -0.592 -4.763 -8.050 1.00 0.00 C ATOM 1098 CG TYR A 69 -0.403 -4.965 -9.560 1.00 0.00 C ATOM 1099 CD1 TYR A 69 0.874 -5.072 -10.115 1.00 0.00 C ATOM 1100 CD2 TYR A 69 -1.494 -5.082 -10.422 1.00 0.00 C ATOM 1101 CE1 TYR A 69 1.049 -5.280 -11.471 1.00 0.00 C ATOM 1102 CE2 TYR A 69 -1.323 -5.283 -11.772 1.00 0.00 C ATOM 1103 CZ TYR A 69 -0.053 -5.391 -12.290 1.00 0.00 C ATOM 1104 OH TYR A 69 0.115 -5.614 -13.639 1.00 0.00 O ATOM 0 H TYR A 69 -1.808 -6.972 -7.928 1.00 0.00 H new ATOM 0 HA TYR A 69 0.948 -6.161 -7.431 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.648 -4.588 -7.843 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.054 -3.867 -7.740 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.740 -4.991 -9.474 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.494 -5.013 -10.021 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.044 -5.355 -11.885 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.182 -5.356 -12.423 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.762 -5.668 -14.073 1.00 0.00 H new ATOM 1114 N PHE A 70 -1.093 -6.351 -4.987 1.00 0.00 N ATOM 1115 CA PHE A 70 -1.360 -6.106 -3.552 1.00 0.00 C ATOM 1116 C PHE A 70 -1.177 -7.385 -2.716 1.00 0.00 C ATOM 1117 O PHE A 70 -1.682 -7.458 -1.586 1.00 0.00 O ATOM 1118 CB PHE A 70 -2.789 -5.504 -3.381 1.00 0.00 C ATOM 1119 CG PHE A 70 -2.887 -4.028 -3.798 1.00 0.00 C ATOM 1120 CD1 PHE A 70 -3.032 -3.666 -5.137 1.00 0.00 C ATOM 1121 CD2 PHE A 70 -2.796 -3.007 -2.849 1.00 0.00 C ATOM 1122 CE1 PHE A 70 -3.081 -2.337 -5.513 1.00 0.00 C ATOM 1123 CE2 PHE A 70 -2.854 -1.678 -3.228 1.00 0.00 C ATOM 1124 CZ PHE A 70 -2.991 -1.344 -4.559 1.00 0.00 C ATOM 0 H PHE A 70 -1.659 -7.101 -5.384 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.632 -5.385 -3.178 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.494 -6.088 -3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.092 -5.600 -2.338 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.107 -4.435 -5.891 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.679 -3.259 -1.805 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.190 -2.075 -6.555 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.792 -0.901 -2.481 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.028 -0.306 -4.855 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.417 -8.370 -3.258 1.00 0.00 N ATOM 1135 CA LYS A 71 -0.125 -9.639 -2.549 1.00 0.00 C ATOM 1136 C LYS A 71 0.703 -9.365 -1.270 1.00 0.00 C ATOM 1137 O LYS A 71 0.430 -9.926 -0.197 1.00 0.00 O ATOM 1138 CB LYS A 71 0.611 -10.651 -3.489 1.00 0.00 C ATOM 1139 CG LYS A 71 2.039 -10.230 -3.941 1.00 0.00 C ATOM 1140 CD LYS A 71 2.792 -11.341 -4.722 1.00 0.00 C ATOM 1141 CE LYS A 71 2.281 -11.532 -6.157 1.00 0.00 C ATOM 1142 NZ LYS A 71 2.661 -10.389 -7.034 1.00 0.00 N ATOM 0 H LYS A 71 0.004 -8.308 -4.185 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.072 -10.091 -2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.679 -11.611 -2.978 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.001 -10.806 -4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.966 -9.341 -4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.623 -9.954 -3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.854 -11.097 -4.752 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.696 -12.283 -4.182 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.687 -12.456 -6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.196 -11.637 -6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.466 -10.633 -8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.108 -9.549 -6.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.675 -10.186 -6.920 1.00 0.00 H new ATOM 1156 N ASP A 72 1.688 -8.463 -1.413 1.00 0.00 N ATOM 1157 CA ASP A 72 2.559 -8.009 -0.327 1.00 0.00 C ATOM 1158 C ASP A 72 3.067 -6.604 -0.675 1.00 0.00 C ATOM 1159 O ASP A 72 2.906 -6.149 -1.814 1.00 0.00 O ATOM 1160 CB ASP A 72 3.744 -9.007 -0.087 1.00 0.00 C ATOM 1161 CG ASP A 72 4.920 -8.894 -1.086 1.00 0.00 C ATOM 1162 OD1 ASP A 72 4.695 -8.846 -2.317 1.00 0.00 O ATOM 1163 OD2 ASP A 72 6.082 -8.831 -0.636 1.00 0.00 O ATOM 0 H ASP A 72 1.902 -8.022 -2.308 1.00 0.00 H new ATOM 0 HA ASP A 72 1.996 -7.974 0.606 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.129 -8.851 0.921 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.354 -10.024 -0.125 1.00 0.00 H new ATOM 1168 N LEU A 73 3.723 -5.951 0.291 1.00 0.00 N ATOM 1169 CA LEU A 73 4.171 -4.552 0.157 1.00 0.00 C ATOM 1170 C LEU A 73 5.264 -4.370 -0.885 1.00 0.00 C ATOM 1171 O LEU A 73 5.421 -3.268 -1.391 1.00 0.00 O ATOM 1172 CB LEU A 73 4.673 -4.025 1.509 1.00 0.00 C ATOM 1173 CG LEU A 73 3.582 -3.701 2.551 1.00 0.00 C ATOM 1174 CD1 LEU A 73 4.227 -3.385 3.901 1.00 0.00 C ATOM 1175 CD2 LEU A 73 2.689 -2.532 2.061 1.00 0.00 C ATOM 0 H LEU A 73 3.960 -6.373 1.189 1.00 0.00 H new ATOM 0 HA LEU A 73 3.303 -3.984 -0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.350 -4.765 1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.258 -3.123 1.331 1.00 0.00 H new ATOM 0 HG LEU A 73 2.940 -4.573 2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.450 -3.157 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.802 -4.247 4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.889 -2.525 3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.926 -2.319 2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.303 -1.645 1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.209 -2.809 1.122 1.00 0.00 H new ATOM 1187 N ASN A 74 6.052 -5.421 -1.162 1.00 0.00 N ATOM 1188 CA ASN A 74 7.118 -5.333 -2.176 1.00 0.00 C ATOM 1189 C ASN A 74 6.513 -5.167 -3.582 1.00 0.00 C ATOM 1190 O ASN A 74 7.012 -4.378 -4.400 1.00 0.00 O ATOM 1191 CB ASN A 74 8.035 -6.573 -2.134 1.00 0.00 C ATOM 1192 CG ASN A 74 8.924 -6.623 -0.889 1.00 0.00 C ATOM 1193 OD1 ASN A 74 10.049 -6.125 -0.895 1.00 0.00 O ATOM 1194 ND2 ASN A 74 8.432 -7.214 0.185 1.00 0.00 N ATOM 0 H ASN A 74 5.974 -6.330 -0.706 1.00 0.00 H new ATOM 0 HA ASN A 74 7.724 -4.456 -1.946 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.421 -7.473 -2.170 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.665 -6.581 -3.023 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.988 -7.266 1.038 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.496 -7.618 0.161 1.00 0.00 H new ATOM 1201 N ALA A 75 5.420 -5.910 -3.832 1.00 0.00 N ATOM 1202 CA ALA A 75 4.663 -5.843 -5.091 1.00 0.00 C ATOM 1203 C ALA A 75 3.911 -4.511 -5.210 1.00 0.00 C ATOM 1204 O ALA A 75 3.759 -3.967 -6.314 1.00 0.00 O ATOM 1205 CB ALA A 75 3.688 -7.019 -5.174 1.00 0.00 C ATOM 0 H ALA A 75 5.037 -6.577 -3.162 1.00 0.00 H new ATOM 0 HA ALA A 75 5.366 -5.905 -5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.130 -6.964 -6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.244 -7.956 -5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.994 -6.976 -4.334 1.00 0.00 H new ATOM 1211 N ILE A 76 3.431 -4.000 -4.062 1.00 0.00 N ATOM 1212 CA ILE A 76 2.775 -2.685 -3.989 1.00 0.00 C ATOM 1213 C ILE A 76 3.793 -1.574 -4.299 1.00 0.00 C ATOM 1214 O ILE A 76 3.547 -0.734 -5.153 1.00 0.00 O ATOM 1215 CB ILE A 76 2.115 -2.435 -2.578 1.00 0.00 C ATOM 1216 CG1 ILE A 76 1.046 -3.527 -2.267 1.00 0.00 C ATOM 1217 CG2 ILE A 76 1.494 -1.015 -2.480 1.00 0.00 C ATOM 1218 CD1 ILE A 76 0.357 -3.394 -0.918 1.00 0.00 C ATOM 0 H ILE A 76 3.487 -4.484 -3.166 1.00 0.00 H new ATOM 0 HA ILE A 76 1.978 -2.670 -4.733 1.00 0.00 H new ATOM 0 HB ILE A 76 2.905 -2.501 -1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.287 -3.502 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.524 -4.505 -2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.049 -0.880 -1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.271 -0.267 -2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.725 -0.901 -3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.367 -4.200 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.100 -3.453 -0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.156 -2.434 -0.865 1.00 0.00 H new ATOM 1230 N SER A 77 4.960 -1.645 -3.646 1.00 0.00 N ATOM 1231 CA SER A 77 6.002 -0.610 -3.704 1.00 0.00 C ATOM 1232 C SER A 77 6.563 -0.467 -5.113 1.00 0.00 C ATOM 1233 O SER A 77 6.756 0.662 -5.598 1.00 0.00 O ATOM 1234 CB SER A 77 7.143 -0.961 -2.727 1.00 0.00 C ATOM 1235 OG SER A 77 8.286 -0.128 -2.891 1.00 0.00 O ATOM 0 H SER A 77 5.211 -2.436 -3.053 1.00 0.00 H new ATOM 0 HA SER A 77 5.550 0.340 -3.418 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.779 -0.873 -1.703 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.433 -2.001 -2.873 1.00 0.00 H new ATOM 0 HG SER A 77 8.729 -0.006 -2.025 1.00 0.00 H new ATOM 1241 N ARG A 78 6.815 -1.627 -5.763 1.00 0.00 N ATOM 1242 CA ARG A 78 7.437 -1.666 -7.083 1.00 0.00 C ATOM 1243 C ARG A 78 6.525 -0.986 -8.115 1.00 0.00 C ATOM 1244 O ARG A 78 6.986 -0.182 -8.939 1.00 0.00 O ATOM 1245 CB ARG A 78 7.794 -3.123 -7.516 1.00 0.00 C ATOM 1246 CG ARG A 78 6.611 -4.007 -7.965 1.00 0.00 C ATOM 1247 CD ARG A 78 7.075 -5.355 -8.527 1.00 0.00 C ATOM 1248 NE ARG A 78 7.979 -5.176 -9.685 1.00 0.00 N ATOM 1249 CZ ARG A 78 9.135 -5.833 -9.897 1.00 0.00 C ATOM 1250 NH1 ARG A 78 9.575 -6.740 -9.041 1.00 0.00 N ATOM 1251 NH2 ARG A 78 9.849 -5.565 -10.971 1.00 0.00 N ATOM 0 H ARG A 78 6.591 -2.546 -5.382 1.00 0.00 H new ATOM 0 HA ARG A 78 8.376 -1.116 -7.030 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.513 -3.072 -8.333 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.294 -3.616 -6.682 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.946 -4.178 -7.119 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.033 -3.479 -8.723 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.587 -5.919 -7.747 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.208 -5.943 -8.828 1.00 0.00 H new ATOM 0 HE ARG A 78 7.700 -4.491 -10.388 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.036 -6.953 -8.202 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.453 -7.227 -9.220 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.525 -4.863 -11.637 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.726 -6.059 -11.137 1.00 0.00 H new ATOM 1265 N THR A 79 5.211 -1.262 -8.008 1.00 0.00 N ATOM 1266 CA THR A 79 4.222 -0.767 -8.952 1.00 0.00 C ATOM 1267 C THR A 79 3.792 0.662 -8.586 1.00 0.00 C ATOM 1268 O THR A 79 3.299 1.357 -9.443 1.00 0.00 O ATOM 1269 CB THR A 79 2.966 -1.699 -9.036 1.00 0.00 C ATOM 1270 OG1 THR A 79 2.206 -1.409 -10.228 1.00 0.00 O ATOM 1271 CG2 THR A 79 2.047 -1.520 -7.823 1.00 0.00 C ATOM 0 H THR A 79 4.818 -1.835 -7.261 1.00 0.00 H new ATOM 0 HA THR A 79 4.695 -0.761 -9.934 1.00 0.00 H new ATOM 0 HB THR A 79 3.331 -2.726 -9.058 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.249 -1.491 -10.034 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.187 -2.183 -7.917 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.595 -1.763 -6.913 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.705 -0.486 -7.775 1.00 0.00 H new ATOM 1279 N VAL A 80 3.964 1.076 -7.306 1.00 0.00 N ATOM 1280 CA VAL A 80 3.665 2.460 -6.864 1.00 0.00 C ATOM 1281 C VAL A 80 4.665 3.423 -7.500 1.00 0.00 C ATOM 1282 O VAL A 80 4.282 4.497 -7.963 1.00 0.00 O ATOM 1283 CB VAL A 80 3.669 2.605 -5.279 1.00 0.00 C ATOM 1284 CG1 VAL A 80 3.887 4.073 -4.819 1.00 0.00 C ATOM 1285 CG2 VAL A 80 2.353 2.046 -4.675 1.00 0.00 C ATOM 0 H VAL A 80 4.309 0.470 -6.562 1.00 0.00 H new ATOM 0 HA VAL A 80 2.656 2.708 -7.194 1.00 0.00 H new ATOM 0 HB VAL A 80 4.511 2.020 -4.910 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.881 4.118 -3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.846 4.433 -5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.087 4.700 -5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.376 2.154 -3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.504 2.599 -5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.254 0.991 -4.932 1.00 0.00 H new ATOM 1295 N GLU A 81 5.949 3.019 -7.523 1.00 0.00 N ATOM 1296 CA GLU A 81 7.025 3.812 -8.146 1.00 0.00 C ATOM 1297 C GLU A 81 6.984 3.702 -9.683 1.00 0.00 C ATOM 1298 O GLU A 81 7.515 4.570 -10.386 1.00 0.00 O ATOM 1299 CB GLU A 81 8.401 3.408 -7.583 1.00 0.00 C ATOM 1300 CG GLU A 81 8.502 3.615 -6.062 1.00 0.00 C ATOM 1301 CD GLU A 81 9.919 3.420 -5.511 1.00 0.00 C ATOM 1302 OE1 GLU A 81 10.304 2.272 -5.227 1.00 0.00 O ATOM 1303 OE2 GLU A 81 10.666 4.422 -5.363 1.00 0.00 O ATOM 0 H GLU A 81 6.268 2.141 -7.114 1.00 0.00 H new ATOM 0 HA GLU A 81 6.860 4.860 -7.894 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.592 2.361 -7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.177 3.992 -8.078 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.161 4.621 -5.817 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.828 2.919 -5.563 1.00 0.00 H new ATOM 1310 N GLN A 82 6.360 2.622 -10.183 1.00 0.00 N ATOM 1311 CA GLN A 82 6.036 2.472 -11.622 1.00 0.00 C ATOM 1312 C GLN A 82 4.898 3.437 -11.993 1.00 0.00 C ATOM 1313 O GLN A 82 4.954 4.111 -13.020 1.00 0.00 O ATOM 1314 CB GLN A 82 5.675 0.988 -11.954 1.00 0.00 C ATOM 1315 CG GLN A 82 5.243 0.700 -13.424 1.00 0.00 C ATOM 1316 CD GLN A 82 3.732 0.861 -13.690 1.00 0.00 C ATOM 1317 OE1 GLN A 82 2.900 0.592 -12.818 1.00 0.00 O ATOM 1318 NE2 GLN A 82 3.375 1.325 -14.881 1.00 0.00 N ATOM 0 H GLN A 82 6.066 1.831 -9.610 1.00 0.00 H new ATOM 0 HA GLN A 82 6.909 2.728 -12.222 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.538 0.365 -11.722 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.868 0.675 -11.292 1.00 0.00 H new ATOM 0 HG2 GLN A 82 5.789 1.370 -14.088 1.00 0.00 H new ATOM 0 HG3 GLN A 82 5.538 -0.317 -13.684 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.087 1.538 -15.580 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.389 1.469 -15.098 1.00 0.00 H new ATOM 1327 N LEU A 83 3.886 3.509 -11.118 1.00 0.00 N ATOM 1328 CA LEU A 83 2.745 4.432 -11.249 1.00 0.00 C ATOM 1329 C LEU A 83 3.203 5.880 -10.990 1.00 0.00 C ATOM 1330 O LEU A 83 2.571 6.817 -11.458 1.00 0.00 O ATOM 1331 CB LEU A 83 1.609 4.037 -10.252 1.00 0.00 C ATOM 1332 CG LEU A 83 0.809 2.723 -10.538 1.00 0.00 C ATOM 1333 CD1 LEU A 83 -0.252 2.465 -9.439 1.00 0.00 C ATOM 1334 CD2 LEU A 83 0.182 2.728 -11.954 1.00 0.00 C ATOM 0 H LEU A 83 3.834 2.920 -10.287 1.00 0.00 H new ATOM 0 HA LEU A 83 2.354 4.363 -12.264 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.050 3.951 -9.259 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.896 4.861 -10.213 1.00 0.00 H new ATOM 0 HG LEU A 83 1.517 1.895 -10.511 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.793 1.546 -9.664 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.242 2.369 -8.472 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.953 3.299 -9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.365 1.799 -12.113 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.502 3.572 -12.046 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.971 2.817 -12.701 1.00 0.00 H new ATOM 1346 N LYS A 84 4.308 6.030 -10.229 1.00 0.00 N ATOM 1347 CA LYS A 84 4.942 7.335 -9.953 1.00 0.00 C ATOM 1348 C LYS A 84 5.763 7.776 -11.165 1.00 0.00 C ATOM 1349 O LYS A 84 5.909 8.976 -11.421 1.00 0.00 O ATOM 1350 CB LYS A 84 5.825 7.239 -8.675 1.00 0.00 C ATOM 1351 CG LYS A 84 6.348 8.598 -8.124 1.00 0.00 C ATOM 1352 CD LYS A 84 6.680 8.550 -6.608 1.00 0.00 C ATOM 1353 CE LYS A 84 7.762 7.518 -6.240 1.00 0.00 C ATOM 1354 NZ LYS A 84 9.092 7.886 -6.786 1.00 0.00 N ATOM 0 H LYS A 84 4.787 5.245 -9.787 1.00 0.00 H new ATOM 0 HA LYS A 84 4.172 8.085 -9.772 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.249 6.746 -7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.681 6.600 -8.892 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.241 8.889 -8.677 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.598 9.369 -8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.009 9.538 -6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.770 8.321 -6.054 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.827 7.432 -5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.473 6.538 -6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.790 7.165 -6.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.038 7.943 -7.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.381 8.809 -6.403 1.00 0.00 H new ATOM 1368 N ALA A 85 6.283 6.776 -11.908 1.00 0.00 N ATOM 1369 CA ALA A 85 6.968 6.995 -13.185 1.00 0.00 C ATOM 1370 C ALA A 85 5.957 7.498 -14.222 1.00 0.00 C ATOM 1371 O ALA A 85 6.208 8.487 -14.899 1.00 0.00 O ATOM 1372 CB ALA A 85 7.650 5.704 -13.667 1.00 0.00 C ATOM 0 H ALA A 85 6.236 5.795 -11.633 1.00 0.00 H new ATOM 0 HA ALA A 85 7.745 7.747 -13.050 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.152 5.890 -14.616 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.382 5.381 -12.927 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.900 4.924 -13.800 1.00 0.00 H new ATOM 1378 N GLU A 86 4.785 6.827 -14.282 1.00 0.00 N ATOM 1379 CA GLU A 86 3.667 7.199 -15.175 1.00 0.00 C ATOM 1380 C GLU A 86 3.058 8.544 -14.749 1.00 0.00 C ATOM 1381 O GLU A 86 2.577 9.306 -15.593 1.00 0.00 O ATOM 1382 CB GLU A 86 2.572 6.094 -15.179 1.00 0.00 C ATOM 1383 CG GLU A 86 3.085 4.678 -15.522 1.00 0.00 C ATOM 1384 CD GLU A 86 3.912 4.622 -16.819 1.00 0.00 C ATOM 1385 OE1 GLU A 86 3.318 4.693 -17.921 1.00 0.00 O ATOM 1386 OE2 GLU A 86 5.160 4.503 -16.745 1.00 0.00 O ATOM 0 H GLU A 86 4.588 6.007 -13.708 1.00 0.00 H new ATOM 0 HA GLU A 86 4.063 7.299 -16.186 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.099 6.066 -14.197 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.800 6.370 -15.897 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.694 4.311 -14.696 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.233 4.004 -15.614 1.00 0.00 H new ATOM 1393 N SER A 87 3.089 8.814 -13.430 1.00 0.00 N ATOM 1394 CA SER A 87 2.612 10.087 -12.858 1.00 0.00 C ATOM 1395 C SER A 87 3.668 11.213 -13.055 1.00 0.00 C ATOM 1396 O SER A 87 3.379 12.389 -12.826 1.00 0.00 O ATOM 1397 CB SER A 87 2.252 9.916 -11.357 1.00 0.00 C ATOM 1398 OG SER A 87 1.495 11.012 -10.869 1.00 0.00 O ATOM 0 H SER A 87 3.444 8.159 -12.734 1.00 0.00 H new ATOM 0 HA SER A 87 1.707 10.380 -13.389 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.686 8.994 -11.222 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.167 9.817 -10.773 1.00 0.00 H new ATOM 0 HG SER A 87 1.053 11.464 -11.618 1.00 0.00 H new ATOM 1404 N ALA A 88 4.906 10.834 -13.423 1.00 0.00 N ATOM 1405 CA ALA A 88 5.958 11.787 -13.841 1.00 0.00 C ATOM 1406 C ALA A 88 5.950 11.944 -15.377 1.00 0.00 C ATOM 1407 O ALA A 88 6.396 12.963 -15.908 1.00 0.00 O ATOM 1408 CB ALA A 88 7.336 11.309 -13.344 1.00 0.00 C ATOM 0 H ALA A 88 5.208 9.860 -13.440 1.00 0.00 H new ATOM 0 HA ALA A 88 5.754 12.761 -13.396 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.102 12.018 -13.658 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.327 11.242 -12.256 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.555 10.328 -13.766 1.00 0.00 H new ATOM 1414 N LEU A 89 5.439 10.910 -16.080 1.00 0.00 N ATOM 1415 CA LEU A 89 5.342 10.882 -17.560 1.00 0.00 C ATOM 1416 C LEU A 89 3.899 11.189 -18.021 1.00 0.00 C ATOM 1417 O LEU A 89 3.550 10.921 -19.174 1.00 0.00 O ATOM 1418 CB LEU A 89 5.791 9.485 -18.099 1.00 0.00 C ATOM 1419 CG LEU A 89 7.262 9.057 -17.790 1.00 0.00 C ATOM 1420 CD1 LEU A 89 7.571 7.645 -18.345 1.00 0.00 C ATOM 1421 CD2 LEU A 89 8.282 10.107 -18.295 1.00 0.00 C ATOM 0 H LEU A 89 5.079 10.065 -15.636 1.00 0.00 H new ATOM 0 HA LEU A 89 6.002 11.650 -17.963 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.122 8.729 -17.687 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.653 9.476 -19.180 1.00 0.00 H new ATOM 0 HG LEU A 89 7.364 9.008 -16.706 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.602 7.380 -18.112 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.898 6.919 -17.889 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.431 7.640 -19.426 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.293 9.774 -18.062 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.179 10.225 -19.374 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.093 11.062 -17.806 1.00 0.00 H new ATOM 1433 N GLU A 90 3.063 11.743 -17.119 1.00 0.00 N ATOM 1434 CA GLU A 90 1.677 12.125 -17.456 1.00 0.00 C ATOM 1435 C GLU A 90 1.682 13.392 -18.345 1.00 0.00 C ATOM 1436 CB GLU A 90 0.802 12.307 -16.178 1.00 0.00 C ATOM 1437 CG GLU A 90 1.371 13.273 -15.123 1.00 0.00 C ATOM 1438 CD GLU A 90 0.459 13.467 -13.900 1.00 0.00 C ATOM 1439 OE1 GLU A 90 0.139 12.463 -13.226 1.00 0.00 O ATOM 1440 OE2 GLU A 90 0.055 14.611 -13.606 1.00 0.00 O ATOM 0 H GLU A 90 3.324 11.936 -16.152 1.00 0.00 H new ATOM 0 HA GLU A 90 1.221 11.314 -18.023 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.183 12.664 -16.480 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.659 11.331 -15.714 1.00 0.00 H new ATOM 0 HG2 GLU A 90 2.338 12.900 -14.787 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.548 14.242 -15.590 1.00 0.00 H new TER 1447 GLU A 90 HETATM 1448 P24 PNS A 101 -13.767 -1.349 -3.924 1.00 41.20 P HETATM 1449 O25 PNS A 101 -14.754 -0.312 -4.327 1.00 63.14 O HETATM 1450 O26 PNS A 101 -12.447 -0.832 -3.499 1.00 0.23 O HETATM 1451 O27 PNS A 101 -13.567 -2.372 -5.123 1.00 32.12 O HETATM 1452 C28 PNS A 101 -12.254 -2.686 -5.575 1.00 44.43 C HETATM 1453 C29 PNS A 101 -12.236 -4.040 -6.284 1.00 52.22 C HETATM 1454 C30 PNS A 101 -13.254 -4.051 -7.437 1.00 40.34 C HETATM 1455 C31 PNS A 101 -12.592 -5.120 -5.263 1.00 2.02 C HETATM 1456 C32 PNS A 101 -10.826 -4.279 -6.827 1.00 3.32 C HETATM 1457 O33 PNS A 101 -9.891 -4.294 -5.722 1.00 3.53 O HETATM 1458 C34 PNS A 101 -10.674 -5.617 -7.597 1.00 64.34 C HETATM 1459 O35 PNS A 101 -10.882 -5.697 -8.810 1.00 61.20 O HETATM 1460 N36 PNS A 101 -10.292 -6.632 -6.844 1.00 25.40 N HETATM 1461 C37 PNS A 101 -10.046 -8.014 -7.254 1.00 2.32 C HETATM 1462 C38 PNS A 101 -9.838 -8.880 -6.007 1.00 5.11 C HETATM 1463 C39 PNS A 101 -8.695 -8.333 -5.143 1.00 25.32 C HETATM 1464 O40 PNS A 101 -7.554 -8.796 -5.212 1.00 75.45 O HETATM 1465 N41 PNS A 101 -9.032 -7.318 -4.332 1.00 0.24 N HETATM 1466 C42 PNS A 101 -8.137 -6.595 -3.424 1.00 34.12 C HETATM 1467 C43 PNS A 101 -8.779 -6.401 -2.059 1.00 30.44 C HETATM 1468 S44 PNS A 101 -10.306 -5.450 -2.242 1.00 51.51 S HETATM 0 H432 PNS A 101 -8.993 -7.369 -1.605 1.00 30.44 H new HETATM 0 H431 PNS A 101 -8.091 -5.881 -1.392 1.00 30.44 H new HETATM 0 H422 PNS A 101 -7.886 -5.625 -3.852 1.00 34.12 H new HETATM 0 H421 PNS A 101 -7.203 -7.146 -3.315 1.00 34.12 H new HETATM 0 H382 PNS A 101 -9.616 -9.905 -6.304 1.00 5.11 H new HETATM 0 H381 PNS A 101 -10.758 -8.910 -5.423 1.00 5.11 H new HETATM 0 H372 PNS A 101 -9.167 -8.064 -7.897 1.00 2.32 H new HETATM 0 H371 PNS A 101 -10.888 -8.389 -7.835 1.00 2.32 H new HETATM 0 H313 PNS A 101 -12.585 -6.096 -5.748 1.00 2.02 H new HETATM 0 H312 PNS A 101 -13.584 -4.924 -4.857 1.00 2.02 H new HETATM 0 H311 PNS A 101 -11.861 -5.112 -4.455 1.00 2.02 H new HETATM 0 H303 PNS A 101 -13.231 -5.021 -7.934 1.00 40.34 H new HETATM 0 H302 PNS A 101 -13.000 -3.270 -8.154 1.00 40.34 H new HETATM 0 H301 PNS A 101 -14.253 -3.869 -7.042 1.00 40.34 H new HETATM 0 H282 PNS A 101 -11.567 -2.704 -4.729 1.00 44.43 H new HETATM 0 H281 PNS A 101 -11.903 -1.909 -6.254 1.00 44.43 H new HETATM 0 H44 PNS A 101 -11.274 -6.059 -1.624 1.00 51.51 H new HETATM 0 H41 PNS A 101 -10.007 -7.020 -4.349 1.00 0.24 H new HETATM 0 H36 PNS A 101 -10.151 -6.427 -5.855 1.00 25.40 H new HETATM 0 H33 PNS A 101 -9.718 -3.375 -5.428 1.00 3.53 H new HETATM 0 H32 PNS A 101 -10.625 -3.470 -7.529 1.00 3.32 H new