USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 968 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 71 SER OG : rot -80:sc= 1.11 USER MOD Set 1.2: A 74 SER OG : rot 66:sc= -0.26 USER MOD Single : A 1 MET CE :methyl 153:sc= -0.258 (180deg=-0.975) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0277 (180deg=-0.0785) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc=-0.00204 USER MOD Single : A 14 THR OG1 : rot -80:sc= -1.4 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 97:sc= -0.164 USER MOD Single : A 18 SER OG : rot -76:sc= 1.17 USER MOD Single : A 26 TYR OH : rot 165:sc= -0.327 USER MOD Single : A 27 HIS : no HD1:sc= -0.389 X(o=-0.39,f=-0.56) USER MOD Single : A 30 THR OG1 : rot 130:sc= -0.948 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -163:sc= 0.399 (180deg=0.275) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.4) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.19 X(o=-1.2,f=-1) USER MOD Single : A 80 THR OG1 : rot -137:sc= -2.34! USER MOD Single : A 82 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-2.7!) USER MOD Single : A 84 SER OG : rot 10:sc= 1.24 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0873) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 153:sc= -0.0268 (180deg=-0.372) USER MOD Single : A 105 SER OG : rot -10:sc= 0.775 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0165) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.856 2.383 16.377 1.00 0.00 N ATOM 2 CA MET A 1 -1.393 2.637 16.414 1.00 0.00 C ATOM 3 C MET A 1 -0.714 2.140 15.141 1.00 0.00 C ATOM 4 O MET A 1 -0.039 2.901 14.448 1.00 0.00 O ATOM 5 CB MET A 1 -0.806 1.928 17.636 1.00 0.00 C ATOM 6 CG MET A 1 0.436 2.602 18.193 1.00 0.00 C ATOM 7 SD MET A 1 0.057 4.107 19.112 1.00 0.00 S ATOM 8 CE MET A 1 -0.912 3.442 20.465 1.00 0.00 C ATOM 0 H1 MET A 1 -3.260 2.540 17.322 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.304 3.031 15.697 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.030 1.400 16.085 1.00 0.00 H new ATOM 0 HA MET A 1 -1.218 3.711 16.482 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.565 1.881 18.417 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.562 0.900 17.367 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.961 1.905 18.846 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.113 2.842 17.373 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.821 4.095 21.333 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.959 3.379 20.167 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.547 2.447 20.719 1.00 0.00 H new ATOM 20 N LYS A 2 -0.898 0.859 14.839 1.00 0.00 N ATOM 21 CA LYS A 2 -0.304 0.261 13.650 1.00 0.00 C ATOM 22 C LYS A 2 -1.383 -0.235 12.692 1.00 0.00 C ATOM 23 O LYS A 2 -2.112 -1.179 12.997 1.00 0.00 O ATOM 24 CB LYS A 2 0.616 -0.897 14.041 1.00 0.00 C ATOM 25 CG LYS A 2 1.614 -0.539 15.131 1.00 0.00 C ATOM 26 CD LYS A 2 2.913 -0.007 14.545 1.00 0.00 C ATOM 27 CE LYS A 2 3.990 -1.080 14.512 1.00 0.00 C ATOM 28 NZ LYS A 2 5.351 -0.496 14.362 1.00 0.00 N ATOM 0 H LYS A 2 -1.454 0.215 15.402 1.00 0.00 H new ATOM 0 HA LYS A 2 0.282 1.028 13.144 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.007 -1.736 14.378 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.160 -1.232 13.158 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.179 0.210 15.793 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.822 -1.419 15.739 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.734 0.361 13.535 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.260 0.840 15.136 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.946 -1.667 15.429 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.796 -1.764 13.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.056 -1.260 14.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.401 0.043 13.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.547 0.137 15.163 1.00 0.00 H new ATOM 42 N ARG A 3 -1.480 0.409 11.533 1.00 0.00 N ATOM 43 CA ARG A 3 -2.471 0.035 10.530 1.00 0.00 C ATOM 44 C ARG A 3 -1.909 0.214 9.123 1.00 0.00 C ATOM 45 O ARG A 3 -1.348 1.257 8.799 1.00 0.00 O ATOM 46 CB ARG A 3 -3.740 0.875 10.693 1.00 0.00 C ATOM 47 CG ARG A 3 -4.137 1.111 12.141 1.00 0.00 C ATOM 48 CD ARG A 3 -3.492 2.369 12.702 1.00 0.00 C ATOM 49 NE ARG A 3 -4.479 3.285 13.270 1.00 0.00 N ATOM 50 CZ ARG A 3 -5.225 4.115 12.543 1.00 0.00 C ATOM 51 NH1 ARG A 3 -5.102 4.146 11.222 1.00 0.00 N ATOM 52 NH2 ARG A 3 -6.097 4.916 13.141 1.00 0.00 N ATOM 0 H ARG A 3 -0.884 1.192 11.265 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.720 -1.016 10.676 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.592 1.838 10.205 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.562 0.379 10.177 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.221 1.195 12.212 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.844 0.252 12.744 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.769 2.094 13.470 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.940 2.877 11.911 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.604 3.289 14.282 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.433 3.532 10.758 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.676 4.784 10.671 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.195 4.896 14.156 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.669 5.552 12.586 1.00 0.00 H new ATOM 66 N VAL A 4 -2.065 -0.807 8.289 1.00 0.00 N ATOM 67 CA VAL A 4 -1.571 -0.749 6.920 1.00 0.00 C ATOM 68 C VAL A 4 -2.708 -0.951 5.921 1.00 0.00 C ATOM 69 O VAL A 4 -3.635 -1.719 6.170 1.00 0.00 O ATOM 70 CB VAL A 4 -0.475 -1.805 6.675 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.140 -1.628 5.295 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.595 -1.723 7.759 1.00 0.00 C ATOM 0 H VAL A 4 -2.528 -1.682 8.536 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.140 0.241 6.774 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.932 -2.794 6.718 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.911 -2.383 5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.633 -1.739 4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.583 -0.635 5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.361 -2.475 7.571 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.049 -0.732 7.748 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.141 -1.903 8.733 1.00 0.00 H new ATOM 82 N LEU A 5 -2.636 -0.251 4.792 1.00 0.00 N ATOM 83 CA LEU A 5 -3.667 -0.353 3.764 1.00 0.00 C ATOM 84 C LEU A 5 -3.163 -1.130 2.552 1.00 0.00 C ATOM 85 O LEU A 5 -2.030 -0.944 2.109 1.00 0.00 O ATOM 86 CB LEU A 5 -4.132 1.038 3.330 1.00 0.00 C ATOM 87 CG LEU A 5 -5.369 1.054 2.426 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.581 0.522 3.171 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.636 2.460 1.909 1.00 0.00 C ATOM 0 H LEU A 5 -1.876 0.391 4.566 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.510 -0.894 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.344 1.628 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.313 1.532 2.808 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.177 0.404 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.450 0.541 2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.391 -0.502 3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.774 1.145 4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.518 2.451 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.805 3.131 2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.776 2.807 1.336 1.00 0.00 H new ATOM 101 N VAL A 6 -4.014 -2.003 2.024 1.00 0.00 N ATOM 102 CA VAL A 6 -3.657 -2.814 0.864 1.00 0.00 C ATOM 103 C VAL A 6 -4.539 -2.489 -0.340 1.00 0.00 C ATOM 104 O VAL A 6 -5.764 -2.582 -0.268 1.00 0.00 O ATOM 105 CB VAL A 6 -3.781 -4.321 1.168 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.044 -5.144 0.122 1.00 0.00 C ATOM 107 CG2 VAL A 6 -3.260 -4.634 2.562 1.00 0.00 C ATOM 0 H VAL A 6 -4.956 -2.168 2.380 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.620 -2.574 0.630 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.837 -4.589 1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.145 -6.204 0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.470 -4.948 -0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.989 -4.871 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.357 -5.702 2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.211 -4.347 2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.838 -4.078 3.300 1.00 0.00 H new ATOM 117 N VAL A 7 -3.909 -2.123 -1.452 1.00 0.00 N ATOM 118 CA VAL A 7 -4.638 -1.804 -2.674 1.00 0.00 C ATOM 119 C VAL A 7 -4.320 -2.826 -3.760 1.00 0.00 C ATOM 120 O VAL A 7 -3.202 -2.872 -4.271 1.00 0.00 O ATOM 121 CB VAL A 7 -4.300 -0.389 -3.186 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.141 -0.041 -4.406 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.499 0.639 -2.083 1.00 0.00 C ATOM 0 H VAL A 7 -2.896 -2.040 -1.532 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.702 -1.837 -2.438 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.251 -0.374 -3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.886 0.961 -4.750 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.943 -0.759 -5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.198 -0.076 -4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.256 1.631 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.537 0.621 -1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.847 0.402 -1.243 1.00 0.00 H new ATOM 133 N ASP A 8 -5.304 -3.656 -4.099 1.00 0.00 N ATOM 134 CA ASP A 8 -5.110 -4.683 -5.114 1.00 0.00 C ATOM 135 C ASP A 8 -6.443 -5.138 -5.694 1.00 0.00 C ATOM 136 O ASP A 8 -7.494 -4.937 -5.088 1.00 0.00 O ATOM 137 CB ASP A 8 -4.371 -5.879 -4.511 1.00 0.00 C ATOM 138 CG ASP A 8 -4.034 -6.934 -5.546 1.00 0.00 C ATOM 139 OD1 ASP A 8 -3.931 -6.582 -6.740 1.00 0.00 O ATOM 140 OD2 ASP A 8 -3.874 -8.112 -5.163 1.00 0.00 O ATOM 0 H ASP A 8 -6.237 -3.636 -3.688 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.514 -4.256 -5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.453 -5.533 -4.037 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.985 -6.325 -3.729 1.00 0.00 H new ATOM 145 N ASP A 9 -6.393 -5.753 -6.869 1.00 0.00 N ATOM 146 CA ASP A 9 -7.599 -6.238 -7.528 1.00 0.00 C ATOM 147 C ASP A 9 -7.922 -7.667 -7.098 1.00 0.00 C ATOM 148 O ASP A 9 -8.165 -8.538 -7.932 1.00 0.00 O ATOM 149 CB ASP A 9 -7.439 -6.170 -9.048 1.00 0.00 C ATOM 150 CG ASP A 9 -8.755 -6.355 -9.776 1.00 0.00 C ATOM 151 OD1 ASP A 9 -9.747 -5.706 -9.383 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.795 -7.148 -10.740 1.00 0.00 O ATOM 0 H ASP A 9 -5.531 -5.928 -7.385 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.427 -5.596 -7.229 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.007 -5.208 -9.322 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.737 -6.938 -9.371 1.00 0.00 H new ATOM 157 N GLU A 10 -7.923 -7.897 -5.789 1.00 0.00 N ATOM 158 CA GLU A 10 -8.216 -9.218 -5.244 1.00 0.00 C ATOM 159 C GLU A 10 -9.579 -9.230 -4.557 1.00 0.00 C ATOM 160 O GLU A 10 -10.303 -8.234 -4.576 1.00 0.00 O ATOM 161 CB GLU A 10 -7.129 -9.638 -4.254 1.00 0.00 C ATOM 162 CG GLU A 10 -5.966 -10.371 -4.902 1.00 0.00 C ATOM 163 CD GLU A 10 -5.956 -11.852 -4.580 1.00 0.00 C ATOM 164 OE1 GLU A 10 -7.021 -12.493 -4.700 1.00 0.00 O ATOM 165 OE2 GLU A 10 -4.884 -12.372 -4.206 1.00 0.00 O ATOM 0 H GLU A 10 -7.724 -7.186 -5.086 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.237 -9.929 -6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.751 -8.751 -3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.572 -10.279 -3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.015 -10.239 -5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.029 -9.924 -4.569 1.00 0.00 H new ATOM 172 N GLU A 11 -9.925 -10.362 -3.952 1.00 0.00 N ATOM 173 CA GLU A 11 -11.202 -10.499 -3.261 1.00 0.00 C ATOM 174 C GLU A 11 -11.003 -11.013 -1.838 1.00 0.00 C ATOM 175 O GLU A 11 -10.244 -11.955 -1.607 1.00 0.00 O ATOM 176 CB GLU A 11 -12.123 -11.447 -4.032 1.00 0.00 C ATOM 177 CG GLU A 11 -13.595 -11.276 -3.691 1.00 0.00 C ATOM 178 CD GLU A 11 -14.338 -12.596 -3.645 1.00 0.00 C ATOM 179 OE1 GLU A 11 -14.067 -13.461 -4.504 1.00 0.00 O ATOM 180 OE2 GLU A 11 -15.194 -12.765 -2.751 1.00 0.00 O ATOM 0 H GLU A 11 -9.339 -11.197 -3.926 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.664 -9.513 -3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.985 -11.285 -5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.828 -12.476 -3.825 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.685 -10.778 -2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.062 -10.625 -4.430 1.00 0.00 H new ATOM 187 N SER A 12 -11.693 -10.389 -0.888 1.00 0.00 N ATOM 188 CA SER A 12 -11.597 -10.781 0.513 1.00 0.00 C ATOM 189 C SER A 12 -10.157 -10.693 1.011 1.00 0.00 C ATOM 190 O SER A 12 -9.503 -11.711 1.237 1.00 0.00 O ATOM 191 CB SER A 12 -12.129 -12.203 0.704 1.00 0.00 C ATOM 192 OG SER A 12 -11.982 -12.628 2.048 1.00 0.00 O ATOM 0 H SER A 12 -12.326 -9.608 -1.064 1.00 0.00 H new ATOM 0 HA SER A 12 -12.205 -10.090 1.097 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.181 -12.242 0.420 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.595 -12.886 0.043 1.00 0.00 H new ATOM 0 HG SER A 12 -12.331 -13.539 2.143 1.00 0.00 H new ATOM 198 N ILE A 13 -9.668 -9.468 1.179 1.00 0.00 N ATOM 199 CA ILE A 13 -8.316 -9.242 1.647 1.00 0.00 C ATOM 200 C ILE A 13 -7.303 -9.905 0.723 1.00 0.00 C ATOM 201 O ILE A 13 -7.656 -10.733 -0.116 1.00 0.00 O ATOM 202 CB ILE A 13 -8.148 -9.799 3.062 1.00 0.00 C ATOM 203 CG1 ILE A 13 -9.215 -9.224 3.997 1.00 0.00 C ATOM 204 CG2 ILE A 13 -6.748 -9.541 3.609 1.00 0.00 C ATOM 205 CD1 ILE A 13 -9.036 -7.752 4.293 1.00 0.00 C ATOM 0 H ILE A 13 -10.197 -8.615 0.995 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.138 -8.167 1.653 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.280 -10.880 3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -10.197 -9.379 3.551 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.200 -9.778 4.935 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.669 -9.952 4.616 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.011 -10.019 2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.561 -8.468 3.640 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.829 -7.416 4.961 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.068 -7.592 4.768 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.082 -7.186 3.363 1.00 0.00 H new ATOM 217 N THR A 14 -6.043 -9.542 0.897 1.00 0.00 N ATOM 218 CA THR A 14 -4.964 -10.102 0.098 1.00 0.00 C ATOM 219 C THR A 14 -4.402 -11.344 0.777 1.00 0.00 C ATOM 220 O THR A 14 -3.831 -11.263 1.865 1.00 0.00 O ATOM 221 CB THR A 14 -3.860 -9.063 -0.111 1.00 0.00 C ATOM 222 OG1 THR A 14 -3.356 -8.607 1.132 1.00 0.00 O ATOM 223 CG2 THR A 14 -4.320 -7.849 -0.891 1.00 0.00 C ATOM 0 H THR A 14 -5.740 -8.857 1.589 1.00 0.00 H new ATOM 0 HA THR A 14 -5.360 -10.384 -0.877 1.00 0.00 H new ATOM 0 HB THR A 14 -3.089 -9.575 -0.686 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.963 -7.934 1.504 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.489 -7.152 -1.003 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.669 -8.160 -1.876 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.134 -7.360 -0.356 1.00 0.00 H new ATOM 231 N SER A 15 -4.578 -12.496 0.137 1.00 0.00 N ATOM 232 CA SER A 15 -4.102 -13.766 0.683 1.00 0.00 C ATOM 233 C SER A 15 -2.700 -13.639 1.272 1.00 0.00 C ATOM 234 O SER A 15 -1.818 -13.021 0.676 1.00 0.00 O ATOM 235 CB SER A 15 -4.112 -14.841 -0.404 1.00 0.00 C ATOM 236 OG SER A 15 -5.435 -15.138 -0.818 1.00 0.00 O ATOM 0 H SER A 15 -5.049 -12.578 -0.764 1.00 0.00 H new ATOM 0 HA SER A 15 -4.778 -14.053 1.488 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.528 -14.502 -1.260 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.634 -15.746 -0.029 1.00 0.00 H new ATOM 0 HG SER A 15 -5.413 -15.827 -1.515 1.00 0.00 H new ATOM 242 N SER A 16 -2.508 -14.241 2.449 1.00 0.00 N ATOM 243 CA SER A 16 -1.218 -14.225 3.147 1.00 0.00 C ATOM 244 C SER A 16 -1.070 -13.007 4.056 1.00 0.00 C ATOM 245 O SER A 16 -0.480 -13.101 5.131 1.00 0.00 O ATOM 246 CB SER A 16 -0.053 -14.275 2.153 1.00 0.00 C ATOM 247 OG SER A 16 -0.360 -15.106 1.047 1.00 0.00 O ATOM 0 H SER A 16 -3.239 -14.752 2.944 1.00 0.00 H new ATOM 0 HA SER A 16 -1.192 -15.117 3.773 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.174 -13.268 1.803 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.841 -14.647 2.654 1.00 0.00 H new ATOM 0 HG SER A 16 -0.678 -14.555 0.302 1.00 0.00 H new ATOM 253 N LEU A 17 -1.596 -11.862 3.629 1.00 0.00 N ATOM 254 CA LEU A 17 -1.495 -10.642 4.425 1.00 0.00 C ATOM 255 C LEU A 17 -2.285 -10.772 5.725 1.00 0.00 C ATOM 256 O LEU A 17 -1.765 -10.501 6.808 1.00 0.00 O ATOM 257 CB LEU A 17 -2.003 -9.436 3.618 1.00 0.00 C ATOM 258 CG LEU A 17 -0.989 -8.311 3.320 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.559 -6.959 3.718 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.347 -8.541 4.017 1.00 0.00 C ATOM 0 H LEU A 17 -2.092 -11.753 2.744 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.446 -10.486 4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.389 -9.804 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.844 -8.999 4.156 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.806 -8.322 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.830 -6.178 3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.473 -6.769 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.784 -6.959 4.785 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.028 -7.724 3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.193 -8.581 5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.777 -9.483 3.677 1.00 0.00 H new ATOM 272 N SER A 18 -3.544 -11.183 5.609 1.00 0.00 N ATOM 273 CA SER A 18 -4.411 -11.344 6.775 1.00 0.00 C ATOM 274 C SER A 18 -3.710 -12.116 7.890 1.00 0.00 C ATOM 275 O SER A 18 -3.470 -11.581 8.972 1.00 0.00 O ATOM 276 CB SER A 18 -5.702 -12.064 6.377 1.00 0.00 C ATOM 277 OG SER A 18 -6.810 -11.569 7.110 1.00 0.00 O ATOM 0 H SER A 18 -3.988 -11.411 4.720 1.00 0.00 H new ATOM 0 HA SER A 18 -4.651 -10.349 7.151 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.881 -11.933 5.310 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.594 -13.134 6.553 1.00 0.00 H new ATOM 0 HG SER A 18 -6.782 -11.923 8.023 1.00 0.00 H new ATOM 283 N ALA A 19 -3.384 -13.377 7.621 1.00 0.00 N ATOM 284 CA ALA A 19 -2.713 -14.224 8.603 1.00 0.00 C ATOM 285 C ALA A 19 -1.472 -13.542 9.173 1.00 0.00 C ATOM 286 O ALA A 19 -1.208 -13.611 10.373 1.00 0.00 O ATOM 287 CB ALA A 19 -2.340 -15.559 7.977 1.00 0.00 C ATOM 0 H ALA A 19 -3.574 -13.836 6.730 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.406 -14.397 9.426 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.840 -16.182 8.719 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.242 -16.062 7.629 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.670 -15.391 7.134 1.00 0.00 H new ATOM 293 N ILE A 20 -0.716 -12.882 8.303 1.00 0.00 N ATOM 294 CA ILE A 20 0.498 -12.187 8.714 1.00 0.00 C ATOM 295 C ILE A 20 0.172 -11.018 9.639 1.00 0.00 C ATOM 296 O ILE A 20 0.458 -11.064 10.834 1.00 0.00 O ATOM 297 CB ILE A 20 1.284 -11.679 7.486 1.00 0.00 C ATOM 298 CG1 ILE A 20 1.855 -12.858 6.704 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.401 -10.731 7.901 1.00 0.00 C ATOM 300 CD1 ILE A 20 2.368 -12.475 5.335 1.00 0.00 C ATOM 0 H ILE A 20 -0.923 -12.814 7.307 1.00 0.00 H new ATOM 0 HA ILE A 20 1.118 -12.900 9.257 1.00 0.00 H new ATOM 0 HB ILE A 20 0.595 -11.127 6.847 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.667 -13.306 7.277 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.084 -13.621 6.595 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.937 -10.390 7.015 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.975 -9.873 8.421 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.092 -11.251 8.565 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.760 -13.359 4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.553 -12.054 4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.161 -11.735 5.438 1.00 0.00 H new ATOM 312 N LEU A 21 -0.427 -9.970 9.081 1.00 0.00 N ATOM 313 CA LEU A 21 -0.793 -8.791 9.860 1.00 0.00 C ATOM 314 C LEU A 21 -1.495 -9.186 11.156 1.00 0.00 C ATOM 315 O LEU A 21 -1.385 -8.498 12.170 1.00 0.00 O ATOM 316 CB LEU A 21 -1.695 -7.887 9.031 1.00 0.00 C ATOM 317 CG LEU A 21 -1.109 -7.490 7.678 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.120 -7.712 6.565 1.00 0.00 C ATOM 319 CD2 LEU A 21 -0.639 -6.043 7.709 1.00 0.00 C ATOM 0 H LEU A 21 -0.669 -9.913 8.092 1.00 0.00 H new ATOM 0 HA LEU A 21 0.119 -8.253 10.120 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.647 -8.393 8.868 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.908 -6.983 9.602 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.247 -8.125 7.475 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.680 -7.422 5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.399 -8.765 6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.007 -7.108 6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.224 -5.774 6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.483 -5.391 7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.127 -5.925 8.476 1.00 0.00 H new ATOM 331 N GLU A 22 -2.214 -10.304 11.113 1.00 0.00 N ATOM 332 CA GLU A 22 -2.931 -10.797 12.283 1.00 0.00 C ATOM 333 C GLU A 22 -1.957 -11.340 13.323 1.00 0.00 C ATOM 334 O GLU A 22 -2.209 -11.261 14.525 1.00 0.00 O ATOM 335 CB GLU A 22 -3.924 -11.885 11.880 1.00 0.00 C ATOM 336 CG GLU A 22 -5.147 -11.353 11.149 1.00 0.00 C ATOM 337 CD GLU A 22 -5.895 -12.436 10.395 1.00 0.00 C ATOM 338 OE1 GLU A 22 -5.600 -13.628 10.619 1.00 0.00 O ATOM 339 OE2 GLU A 22 -6.777 -12.090 9.581 1.00 0.00 O ATOM 0 H GLU A 22 -2.315 -10.885 10.281 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.479 -9.963 12.722 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.417 -12.610 11.243 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.249 -12.418 12.774 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.820 -10.885 11.868 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.838 -10.576 10.450 1.00 0.00 H new ATOM 346 N GLU A 23 -0.839 -11.887 12.852 1.00 0.00 N ATOM 347 CA GLU A 23 0.175 -12.436 13.740 1.00 0.00 C ATOM 348 C GLU A 23 1.088 -11.325 14.252 1.00 0.00 C ATOM 349 O GLU A 23 1.547 -11.360 15.394 1.00 0.00 O ATOM 350 CB GLU A 23 0.991 -13.502 13.000 1.00 0.00 C ATOM 351 CG GLU A 23 2.298 -13.863 13.685 1.00 0.00 C ATOM 352 CD GLU A 23 2.574 -15.355 13.669 1.00 0.00 C ATOM 353 OE1 GLU A 23 2.074 -16.041 12.752 1.00 0.00 O ATOM 354 OE2 GLU A 23 3.289 -15.836 14.573 1.00 0.00 O ATOM 0 H GLU A 23 -0.615 -11.961 11.860 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.315 -12.899 14.596 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.385 -14.402 12.897 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.206 -13.146 11.993 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.118 -13.341 13.193 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.271 -13.513 14.717 1.00 0.00 H new ATOM 361 N GLU A 24 1.346 -10.343 13.396 1.00 0.00 N ATOM 362 CA GLU A 24 2.201 -9.218 13.753 1.00 0.00 C ATOM 363 C GLU A 24 1.473 -8.249 14.680 1.00 0.00 C ATOM 364 O GLU A 24 2.093 -7.580 15.505 1.00 0.00 O ATOM 365 CB GLU A 24 2.666 -8.484 12.493 1.00 0.00 C ATOM 366 CG GLU A 24 3.313 -9.396 11.464 1.00 0.00 C ATOM 367 CD GLU A 24 4.559 -10.080 11.992 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.530 -9.369 12.327 1.00 0.00 O ATOM 369 OE2 GLU A 24 4.563 -11.326 12.072 1.00 0.00 O ATOM 0 H GLU A 24 0.974 -10.304 12.447 1.00 0.00 H new ATOM 0 HA GLU A 24 3.071 -9.610 14.280 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.811 -7.984 12.037 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.376 -7.707 12.776 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.593 -10.152 11.151 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.570 -8.814 10.579 1.00 0.00 H new ATOM 376 N GLY A 25 0.154 -8.176 14.534 1.00 0.00 N ATOM 377 CA GLY A 25 -0.636 -7.283 15.360 1.00 0.00 C ATOM 378 C GLY A 25 -0.810 -5.919 14.725 1.00 0.00 C ATOM 379 O GLY A 25 -0.291 -4.921 15.225 1.00 0.00 O ATOM 0 H GLY A 25 -0.382 -8.720 13.858 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.616 -7.727 15.537 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.156 -7.171 16.332 1.00 0.00 H new ATOM 383 N TYR A 26 -1.537 -5.878 13.614 1.00 0.00 N ATOM 384 CA TYR A 26 -1.776 -4.629 12.900 1.00 0.00 C ATOM 385 C TYR A 26 -3.250 -4.458 12.563 1.00 0.00 C ATOM 386 O TYR A 26 -4.087 -5.288 12.919 1.00 0.00 O ATOM 387 CB TYR A 26 -0.971 -4.602 11.598 1.00 0.00 C ATOM 388 CG TYR A 26 0.499 -4.302 11.776 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.378 -5.275 12.230 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.007 -3.045 11.476 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.724 -5.003 12.382 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.350 -2.765 11.626 1.00 0.00 C ATOM 393 CZ TYR A 26 3.205 -3.747 12.079 1.00 0.00 C ATOM 394 OH TYR A 26 4.545 -3.473 12.229 1.00 0.00 O ATOM 0 H TYR A 26 -1.972 -6.696 13.188 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.463 -3.814 13.553 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.074 -5.567 11.102 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.404 -3.854 10.934 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.004 -6.260 12.468 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.340 -2.274 11.119 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.396 -5.771 12.736 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.729 -1.782 11.390 1.00 0.00 H new ATOM 0 HH TYR A 26 4.764 -2.643 11.757 1.00 0.00 H new ATOM 404 N HIS A 27 -3.547 -3.384 11.845 1.00 0.00 N ATOM 405 CA HIS A 27 -4.903 -3.091 11.408 1.00 0.00 C ATOM 406 C HIS A 27 -4.917 -2.980 9.888 1.00 0.00 C ATOM 407 O HIS A 27 -4.857 -1.883 9.331 1.00 0.00 O ATOM 408 CB HIS A 27 -5.414 -1.796 12.048 1.00 0.00 C ATOM 409 CG HIS A 27 -6.784 -1.920 12.639 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.253 -3.083 13.214 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.789 -1.019 12.743 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.488 -2.891 13.645 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.835 -1.648 13.372 1.00 0.00 N ATOM 0 H HIS A 27 -2.856 -2.694 11.550 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.566 -3.897 11.722 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.718 -1.486 12.827 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.422 -1.007 11.296 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.771 0.004 12.396 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.107 -3.627 14.137 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.735 -1.223 13.593 1.00 0.00 H new ATOM 422 N PRO A 28 -4.957 -4.130 9.199 1.00 0.00 N ATOM 423 CA PRO A 28 -4.934 -4.180 7.741 1.00 0.00 C ATOM 424 C PRO A 28 -6.296 -3.957 7.098 1.00 0.00 C ATOM 425 O PRO A 28 -7.319 -4.440 7.584 1.00 0.00 O ATOM 426 CB PRO A 28 -4.437 -5.597 7.460 1.00 0.00 C ATOM 427 CG PRO A 28 -4.923 -6.407 8.612 1.00 0.00 C ATOM 428 CD PRO A 28 -4.996 -5.477 9.799 1.00 0.00 C ATOM 0 HA PRO A 28 -4.313 -3.387 7.324 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.832 -5.975 6.517 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.350 -5.627 7.386 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.901 -6.837 8.397 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.247 -7.238 8.813 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.910 -5.632 10.372 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.161 -5.634 10.482 1.00 0.00 H new ATOM 436 N ASP A 29 -6.286 -3.235 5.984 1.00 0.00 N ATOM 437 CA ASP A 29 -7.495 -2.947 5.232 1.00 0.00 C ATOM 438 C ASP A 29 -7.195 -3.083 3.748 1.00 0.00 C ATOM 439 O ASP A 29 -6.153 -2.628 3.281 1.00 0.00 O ATOM 440 CB ASP A 29 -8.005 -1.540 5.547 1.00 0.00 C ATOM 441 CG ASP A 29 -9.261 -1.192 4.773 1.00 0.00 C ATOM 442 OD1 ASP A 29 -9.219 -1.229 3.524 1.00 0.00 O ATOM 443 OD2 ASP A 29 -10.288 -0.884 5.414 1.00 0.00 O ATOM 0 H ASP A 29 -5.440 -2.835 5.579 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.274 -3.655 5.515 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.207 -1.461 6.615 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.226 -0.814 5.315 1.00 0.00 H new ATOM 448 N THR A 30 -8.089 -3.722 3.009 1.00 0.00 N ATOM 449 CA THR A 30 -7.872 -3.916 1.583 1.00 0.00 C ATOM 450 C THR A 30 -8.993 -3.306 0.754 1.00 0.00 C ATOM 451 O THR A 30 -10.174 -3.512 1.032 1.00 0.00 O ATOM 452 CB THR A 30 -7.739 -5.405 1.270 1.00 0.00 C ATOM 453 OG1 THR A 30 -9.006 -6.040 1.299 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.837 -6.134 2.240 1.00 0.00 C ATOM 0 H THR A 30 -8.961 -4.111 3.367 1.00 0.00 H new ATOM 0 HA THR A 30 -6.947 -3.405 1.316 1.00 0.00 H new ATOM 0 HB THR A 30 -7.298 -5.456 0.275 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.127 -6.566 0.481 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.783 -7.187 1.965 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.838 -5.698 2.206 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.239 -6.043 3.249 1.00 0.00 H new ATOM 462 N ALA A 31 -8.606 -2.560 -0.273 1.00 0.00 N ATOM 463 CA ALA A 31 -9.564 -1.923 -1.161 1.00 0.00 C ATOM 464 C ALA A 31 -9.780 -2.782 -2.411 1.00 0.00 C ATOM 465 O ALA A 31 -10.173 -3.944 -2.304 1.00 0.00 O ATOM 466 CB ALA A 31 -9.085 -0.519 -1.516 1.00 0.00 C ATOM 0 H ALA A 31 -7.630 -2.382 -0.510 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.525 -1.832 -0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.807 -0.046 -2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.988 0.073 -0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.117 -0.580 -2.014 1.00 0.00 H new ATOM 472 N LYS A 32 -9.517 -2.223 -3.592 1.00 0.00 N ATOM 473 CA LYS A 32 -9.681 -2.962 -4.841 1.00 0.00 C ATOM 474 C LYS A 32 -8.831 -2.345 -5.944 1.00 0.00 C ATOM 475 O LYS A 32 -8.198 -3.054 -6.727 1.00 0.00 O ATOM 476 CB LYS A 32 -11.152 -2.982 -5.270 1.00 0.00 C ATOM 477 CG LYS A 32 -12.116 -3.323 -4.145 1.00 0.00 C ATOM 478 CD LYS A 32 -13.550 -3.395 -4.644 1.00 0.00 C ATOM 479 CE LYS A 32 -14.344 -4.462 -3.906 1.00 0.00 C ATOM 480 NZ LYS A 32 -15.090 -3.898 -2.747 1.00 0.00 N ATOM 0 H LYS A 32 -9.191 -1.264 -3.709 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.351 -3.987 -4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.415 -2.006 -5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.276 -3.707 -6.074 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.836 -4.278 -3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.040 -2.572 -3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.031 -2.426 -4.513 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.554 -3.611 -5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.045 -4.933 -4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.667 -5.242 -3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.618 -4.657 -2.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.419 -3.470 -2.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.755 -3.172 -3.082 1.00 0.00 H new ATOM 494 N THR A 33 -8.819 -1.019 -5.994 1.00 0.00 N ATOM 495 CA THR A 33 -8.046 -0.291 -6.989 1.00 0.00 C ATOM 496 C THR A 33 -7.668 1.081 -6.450 1.00 0.00 C ATOM 497 O THR A 33 -8.081 1.460 -5.354 1.00 0.00 O ATOM 498 CB THR A 33 -8.844 -0.146 -8.285 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.023 0.608 -8.066 1.00 0.00 O ATOM 500 CG2 THR A 33 -9.254 -1.472 -8.889 1.00 0.00 C ATOM 0 H THR A 33 -9.341 -0.423 -5.351 1.00 0.00 H new ATOM 0 HA THR A 33 -7.136 -0.852 -7.204 1.00 0.00 H new ATOM 0 HB THR A 33 -8.174 0.360 -8.980 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.519 0.691 -8.907 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.817 -1.296 -9.806 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.364 -2.059 -9.116 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.877 -2.018 -8.180 1.00 0.00 H new ATOM 508 N LEU A 34 -6.883 1.826 -7.217 1.00 0.00 N ATOM 509 CA LEU A 34 -6.461 3.155 -6.797 1.00 0.00 C ATOM 510 C LEU A 34 -7.668 4.046 -6.536 1.00 0.00 C ATOM 511 O LEU A 34 -7.672 4.842 -5.597 1.00 0.00 O ATOM 512 CB LEU A 34 -5.548 3.782 -7.852 1.00 0.00 C ATOM 513 CG LEU A 34 -4.189 3.100 -8.009 1.00 0.00 C ATOM 514 CD1 LEU A 34 -3.560 3.459 -9.347 1.00 0.00 C ATOM 515 CD2 LEU A 34 -3.268 3.482 -6.858 1.00 0.00 C ATOM 0 H LEU A 34 -6.528 1.535 -8.128 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.901 3.060 -5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.061 3.764 -8.813 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.386 4.829 -7.596 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.338 2.021 -7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.593 2.964 -9.439 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.214 3.132 -10.156 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.421 4.539 -9.406 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.304 2.989 -6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.124 4.562 -6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.715 3.169 -5.915 1.00 0.00 H new ATOM 527 N ARG A 35 -8.702 3.891 -7.355 1.00 0.00 N ATOM 528 CA ARG A 35 -9.921 4.670 -7.189 1.00 0.00 C ATOM 529 C ARG A 35 -10.618 4.264 -5.896 1.00 0.00 C ATOM 530 O ARG A 35 -11.055 5.112 -5.115 1.00 0.00 O ATOM 531 CB ARG A 35 -10.856 4.459 -8.384 1.00 0.00 C ATOM 532 CG ARG A 35 -10.883 5.633 -9.348 1.00 0.00 C ATOM 533 CD ARG A 35 -11.317 5.203 -10.742 1.00 0.00 C ATOM 534 NE ARG A 35 -12.763 5.017 -10.833 1.00 0.00 N ATOM 535 CZ ARG A 35 -13.378 3.848 -10.660 1.00 0.00 C ATOM 536 NH1 ARG A 35 -12.682 2.752 -10.382 1.00 0.00 N ATOM 537 NH2 ARG A 35 -14.698 3.774 -10.765 1.00 0.00 N ATOM 0 H ARG A 35 -8.720 3.236 -8.137 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.661 5.727 -7.138 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.547 3.564 -8.923 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.866 4.277 -8.017 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.565 6.397 -8.973 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.893 6.086 -9.398 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.002 5.953 -11.467 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.815 4.273 -11.007 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.338 5.833 -11.042 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.667 2.800 -10.299 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.163 1.862 -10.251 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.240 4.611 -10.978 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.171 2.880 -10.633 1.00 0.00 H new ATOM 551 N GLU A 36 -10.700 2.957 -5.671 1.00 0.00 N ATOM 552 CA GLU A 36 -11.325 2.425 -4.469 1.00 0.00 C ATOM 553 C GLU A 36 -10.538 2.844 -3.233 1.00 0.00 C ATOM 554 O GLU A 36 -11.115 3.116 -2.180 1.00 0.00 O ATOM 555 CB GLU A 36 -11.418 0.898 -4.545 1.00 0.00 C ATOM 556 CG GLU A 36 -12.836 0.368 -4.406 1.00 0.00 C ATOM 557 CD GLU A 36 -13.555 0.271 -5.738 1.00 0.00 C ATOM 558 OE1 GLU A 36 -13.278 -0.684 -6.493 1.00 0.00 O ATOM 559 OE2 GLU A 36 -14.393 1.152 -6.025 1.00 0.00 O ATOM 0 H GLU A 36 -10.340 2.246 -6.308 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.334 2.831 -4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.006 0.564 -5.497 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.798 0.465 -3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.808 -0.617 -3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.400 1.020 -3.739 1.00 0.00 H new ATOM 566 N ALA A 37 -9.215 2.905 -3.369 1.00 0.00 N ATOM 567 CA ALA A 37 -8.358 3.304 -2.262 1.00 0.00 C ATOM 568 C ALA A 37 -8.647 4.740 -1.859 1.00 0.00 C ATOM 569 O ALA A 37 -8.897 5.025 -0.689 1.00 0.00 O ATOM 570 CB ALA A 37 -6.892 3.137 -2.633 1.00 0.00 C ATOM 0 H ALA A 37 -8.718 2.684 -4.232 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.571 2.657 -1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.267 3.440 -1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.694 2.092 -2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.663 3.758 -3.499 1.00 0.00 H new ATOM 576 N GLU A 38 -8.620 5.647 -2.833 1.00 0.00 N ATOM 577 CA GLU A 38 -8.891 7.054 -2.567 1.00 0.00 C ATOM 578 C GLU A 38 -10.167 7.207 -1.752 1.00 0.00 C ATOM 579 O GLU A 38 -10.211 7.967 -0.787 1.00 0.00 O ATOM 580 CB GLU A 38 -9.013 7.837 -3.873 1.00 0.00 C ATOM 581 CG GLU A 38 -7.705 7.961 -4.636 1.00 0.00 C ATOM 582 CD GLU A 38 -7.743 9.055 -5.685 1.00 0.00 C ATOM 583 OE1 GLU A 38 -8.362 10.107 -5.422 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.156 8.857 -6.770 1.00 0.00 O ATOM 0 H GLU A 38 -8.414 5.432 -3.809 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.055 7.456 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.750 7.350 -4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.391 8.835 -3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.897 8.164 -3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.478 7.010 -5.117 1.00 0.00 H new ATOM 591 N LYS A 39 -11.200 6.464 -2.136 1.00 0.00 N ATOM 592 CA LYS A 39 -12.470 6.508 -1.424 1.00 0.00 C ATOM 593 C LYS A 39 -12.256 6.174 0.049 1.00 0.00 C ATOM 594 O LYS A 39 -12.790 6.842 0.934 1.00 0.00 O ATOM 595 CB LYS A 39 -13.466 5.526 -2.045 1.00 0.00 C ATOM 596 CG LYS A 39 -14.817 5.506 -1.348 1.00 0.00 C ATOM 597 CD LYS A 39 -14.861 4.459 -0.248 1.00 0.00 C ATOM 598 CE LYS A 39 -16.290 4.126 0.147 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.401 2.762 0.734 1.00 0.00 N ATOM 0 H LYS A 39 -11.182 5.827 -2.933 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.879 7.515 -1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.612 5.784 -3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.039 4.524 -2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.024 6.489 -0.925 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.601 5.302 -2.077 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.355 3.554 -0.585 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.317 4.822 0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.648 4.861 0.867 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.935 4.198 -0.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.391 2.574 0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.083 2.058 0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.806 2.701 1.585 1.00 0.00 H new ATOM 613 N LYS A 40 -11.462 5.137 0.300 1.00 0.00 N ATOM 614 CA LYS A 40 -11.165 4.710 1.661 1.00 0.00 C ATOM 615 C LYS A 40 -10.210 5.686 2.344 1.00 0.00 C ATOM 616 O LYS A 40 -10.405 6.055 3.502 1.00 0.00 O ATOM 617 CB LYS A 40 -10.556 3.310 1.647 1.00 0.00 C ATOM 618 CG LYS A 40 -11.590 2.199 1.559 1.00 0.00 C ATOM 619 CD LYS A 40 -11.507 1.259 2.752 1.00 0.00 C ATOM 620 CE LYS A 40 -12.802 0.486 2.943 1.00 0.00 C ATOM 621 NZ LYS A 40 -13.022 0.113 4.367 1.00 0.00 N ATOM 0 H LYS A 40 -11.012 4.577 -0.424 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.098 4.693 2.225 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.873 3.228 0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.962 3.172 2.550 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.588 2.634 1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.440 1.634 0.639 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.683 0.560 2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.287 1.832 3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.640 1.089 2.592 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.780 -0.416 2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.738 -0.639 4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.130 -0.227 4.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.353 0.945 4.897 1.00 0.00 H new ATOM 635 N ILE A 41 -9.174 6.096 1.618 1.00 0.00 N ATOM 636 CA ILE A 41 -8.181 7.021 2.150 1.00 0.00 C ATOM 637 C ILE A 41 -8.758 8.426 2.323 1.00 0.00 C ATOM 638 O ILE A 41 -8.196 9.248 3.046 1.00 0.00 O ATOM 639 CB ILE A 41 -6.941 7.094 1.240 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.411 5.687 0.950 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.860 7.952 1.881 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.563 5.607 -0.301 1.00 0.00 C ATOM 0 H ILE A 41 -9.001 5.801 0.657 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.887 6.636 3.127 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.229 7.556 0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.821 5.347 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.254 5.003 0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.991 7.993 1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.242 8.960 2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.571 7.518 2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.222 4.582 -0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.155 5.916 -1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.700 6.265 -0.199 1.00 0.00 H new ATOM 654 N LYS A 42 -9.878 8.697 1.660 1.00 0.00 N ATOM 655 CA LYS A 42 -10.519 10.004 1.748 1.00 0.00 C ATOM 656 C LYS A 42 -10.866 10.353 3.193 1.00 0.00 C ATOM 657 O LYS A 42 -11.045 11.524 3.530 1.00 0.00 O ATOM 658 CB LYS A 42 -11.783 10.034 0.891 1.00 0.00 C ATOM 659 CG LYS A 42 -12.172 11.430 0.433 1.00 0.00 C ATOM 660 CD LYS A 42 -13.450 11.905 1.106 1.00 0.00 C ATOM 661 CE LYS A 42 -14.674 11.590 0.262 1.00 0.00 C ATOM 662 NZ LYS A 42 -15.000 12.696 -0.679 1.00 0.00 N ATOM 0 H LYS A 42 -10.360 8.030 1.057 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.814 10.747 1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.634 9.401 0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.608 9.604 1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.363 12.125 0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.307 11.434 -0.649 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.547 11.429 2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.393 12.980 1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.500 10.673 -0.302 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.527 11.406 0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.841 12.442 -1.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.191 13.565 -0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.196 12.855 -1.319 1.00 0.00 H new ATOM 676 N GLU A 43 -10.962 9.335 4.043 1.00 0.00 N ATOM 677 CA GLU A 43 -11.290 9.541 5.447 1.00 0.00 C ATOM 678 C GLU A 43 -10.236 8.916 6.355 1.00 0.00 C ATOM 679 O GLU A 43 -9.559 9.614 7.109 1.00 0.00 O ATOM 680 CB GLU A 43 -12.667 8.953 5.761 1.00 0.00 C ATOM 681 CG GLU A 43 -13.749 9.381 4.784 1.00 0.00 C ATOM 682 CD GLU A 43 -14.731 8.267 4.477 1.00 0.00 C ATOM 683 OE1 GLU A 43 -15.348 7.741 5.425 1.00 0.00 O ATOM 684 OE2 GLU A 43 -14.881 7.922 3.285 1.00 0.00 O ATOM 0 H GLU A 43 -10.817 8.360 3.783 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.309 10.615 5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.597 7.865 5.759 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.959 9.252 6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.289 10.233 5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.284 9.716 3.857 1.00 0.00 H new ATOM 691 N LEU A 44 -10.107 7.594 6.283 1.00 0.00 N ATOM 692 CA LEU A 44 -9.137 6.874 7.102 1.00 0.00 C ATOM 693 C LEU A 44 -7.729 7.426 6.899 1.00 0.00 C ATOM 694 O LEU A 44 -7.285 7.622 5.767 1.00 0.00 O ATOM 695 CB LEU A 44 -9.168 5.380 6.767 1.00 0.00 C ATOM 696 CG LEU A 44 -9.780 4.487 7.848 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.951 4.546 9.121 1.00 0.00 C ATOM 698 CD2 LEU A 44 -11.217 4.900 8.126 1.00 0.00 C ATOM 0 H LEU A 44 -10.662 7.000 5.666 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.410 7.012 8.148 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.729 5.242 5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.149 5.045 6.574 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.780 3.458 7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.401 3.905 9.879 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.938 4.203 8.911 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.919 5.572 9.487 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.638 4.255 8.897 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.239 5.935 8.467 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.806 4.806 7.213 1.00 0.00 H new ATOM 710 N PHE A 45 -7.032 7.672 8.002 1.00 0.00 N ATOM 711 CA PHE A 45 -5.673 8.201 7.945 1.00 0.00 C ATOM 712 C PHE A 45 -4.649 7.077 8.073 1.00 0.00 C ATOM 713 O PHE A 45 -3.828 7.070 8.991 1.00 0.00 O ATOM 714 CB PHE A 45 -5.457 9.236 9.052 1.00 0.00 C ATOM 715 CG PHE A 45 -4.156 9.976 8.933 1.00 0.00 C ATOM 716 CD1 PHE A 45 -4.028 11.045 8.061 1.00 0.00 C ATOM 717 CD2 PHE A 45 -3.060 9.603 9.694 1.00 0.00 C ATOM 718 CE1 PHE A 45 -2.832 11.728 7.950 1.00 0.00 C ATOM 719 CE2 PHE A 45 -1.860 10.282 9.587 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.746 11.346 8.714 1.00 0.00 C ATOM 0 H PHE A 45 -7.384 7.514 8.946 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.537 8.685 6.978 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.277 9.954 9.033 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.494 8.735 10.019 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.873 11.348 7.461 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.144 8.772 10.379 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.746 12.560 7.267 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.013 9.981 10.185 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.810 11.878 8.629 1.00 0.00 H new ATOM 730 N PHE A 46 -4.703 6.128 7.144 1.00 0.00 N ATOM 731 CA PHE A 46 -3.780 4.998 7.150 1.00 0.00 C ATOM 732 C PHE A 46 -2.329 5.478 7.090 1.00 0.00 C ATOM 733 O PHE A 46 -1.960 6.238 6.195 1.00 0.00 O ATOM 734 CB PHE A 46 -4.056 4.081 5.957 1.00 0.00 C ATOM 735 CG PHE A 46 -5.275 3.218 6.111 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.331 2.238 7.089 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.362 3.380 5.267 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.450 1.437 7.223 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.483 2.583 5.396 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.527 1.610 6.375 1.00 0.00 C ATOM 0 H PHE A 46 -5.376 6.119 6.377 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.933 4.447 8.078 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.169 4.693 5.062 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.189 3.440 5.798 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.491 2.098 7.754 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.332 4.139 4.499 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.482 0.677 7.990 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.324 2.721 4.732 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.402 0.985 6.478 1.00 0.00 H new ATOM 750 N PRO A 47 -1.478 5.034 8.033 1.00 0.00 N ATOM 751 CA PRO A 47 -0.066 5.421 8.058 1.00 0.00 C ATOM 752 C PRO A 47 0.714 4.775 6.921 1.00 0.00 C ATOM 753 O PRO A 47 1.711 5.318 6.448 1.00 0.00 O ATOM 754 CB PRO A 47 0.430 4.897 9.406 1.00 0.00 C ATOM 755 CG PRO A 47 -0.482 3.769 9.737 1.00 0.00 C ATOM 756 CD PRO A 47 -1.818 4.114 9.133 1.00 0.00 C ATOM 0 HA PRO A 47 0.067 6.496 7.935 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.465 4.562 9.343 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.392 5.673 10.170 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.103 2.831 9.332 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.565 3.640 10.816 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.333 3.226 8.767 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.476 4.587 9.861 1.00 0.00 H new ATOM 764 N VAL A 48 0.256 3.604 6.495 1.00 0.00 N ATOM 765 CA VAL A 48 0.910 2.875 5.420 1.00 0.00 C ATOM 766 C VAL A 48 -0.081 2.469 4.334 1.00 0.00 C ATOM 767 O VAL A 48 -1.186 2.010 4.624 1.00 0.00 O ATOM 768 CB VAL A 48 1.612 1.624 5.965 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.507 0.999 4.906 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.404 1.984 7.208 1.00 0.00 C ATOM 0 H VAL A 48 -0.567 3.140 6.879 1.00 0.00 H new ATOM 0 HA VAL A 48 1.650 3.543 4.979 1.00 0.00 H new ATOM 0 HB VAL A 48 0.858 0.884 6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.993 0.114 5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.905 0.715 4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.265 1.720 4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.901 1.094 7.593 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.151 2.738 6.958 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.729 2.380 7.967 1.00 0.00 H new ATOM 780 N ILE A 49 0.329 2.646 3.085 1.00 0.00 N ATOM 781 CA ILE A 49 -0.508 2.304 1.938 1.00 0.00 C ATOM 782 C ILE A 49 0.306 1.571 0.879 1.00 0.00 C ATOM 783 O ILE A 49 1.085 2.191 0.155 1.00 0.00 O ATOM 784 CB ILE A 49 -1.119 3.562 1.286 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.602 4.550 2.353 1.00 0.00 C ATOM 786 CG2 ILE A 49 -2.255 3.177 0.347 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.860 4.115 3.072 1.00 0.00 C ATOM 0 H ILE A 49 1.242 3.027 2.837 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.308 1.665 2.312 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.344 4.056 0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.808 4.693 3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.781 5.517 1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.675 4.076 -0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.873 2.522 -0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.031 2.657 0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.136 4.868 3.810 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.670 4.000 2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.682 3.163 3.573 1.00 0.00 H new ATOM 799 N VAL A 50 0.139 0.257 0.782 1.00 0.00 N ATOM 800 CA VAL A 50 0.875 -0.528 -0.198 1.00 0.00 C ATOM 801 C VAL A 50 -0.001 -0.867 -1.399 1.00 0.00 C ATOM 802 O VAL A 50 -1.117 -1.363 -1.245 1.00 0.00 O ATOM 803 CB VAL A 50 1.397 -1.837 0.432 1.00 0.00 C ATOM 804 CG1 VAL A 50 2.190 -2.654 -0.579 1.00 0.00 C ATOM 805 CG2 VAL A 50 2.234 -1.534 1.665 1.00 0.00 C ATOM 0 H VAL A 50 -0.497 -0.284 1.368 1.00 0.00 H new ATOM 0 HA VAL A 50 1.719 0.076 -0.532 1.00 0.00 H new ATOM 0 HB VAL A 50 0.539 -2.435 0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.545 -3.570 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.551 -2.906 -1.425 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.042 -2.072 -0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.595 -2.467 2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.084 -0.912 1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.624 -1.006 2.398 1.00 0.00 H new ATOM 815 N LEU A 51 0.514 -0.603 -2.594 1.00 0.00 N ATOM 816 CA LEU A 51 -0.221 -0.892 -3.820 1.00 0.00 C ATOM 817 C LEU A 51 0.131 -2.283 -4.333 1.00 0.00 C ATOM 818 O LEU A 51 1.136 -2.868 -3.931 1.00 0.00 O ATOM 819 CB LEU A 51 0.086 0.156 -4.890 1.00 0.00 C ATOM 820 CG LEU A 51 -0.793 0.085 -6.143 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.262 0.214 -5.770 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.396 1.169 -7.133 1.00 0.00 C ATOM 0 H LEU A 51 1.435 -0.190 -2.740 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.287 -0.859 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.020 1.146 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.129 0.051 -5.190 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.642 -0.885 -6.617 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.872 0.162 -6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.539 -0.597 -5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.429 1.170 -5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.030 1.104 -8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.519 2.148 -6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.646 1.033 -7.423 1.00 0.00 H new ATOM 834 N ASP A 52 -0.706 -2.807 -5.218 1.00 0.00 N ATOM 835 CA ASP A 52 -0.489 -4.130 -5.783 1.00 0.00 C ATOM 836 C ASP A 52 -1.138 -4.245 -7.156 1.00 0.00 C ATOM 837 O ASP A 52 -2.129 -4.955 -7.329 1.00 0.00 O ATOM 838 CB ASP A 52 -1.046 -5.199 -4.841 1.00 0.00 C ATOM 839 CG ASP A 52 -0.091 -6.361 -4.648 1.00 0.00 C ATOM 840 OD1 ASP A 52 0.236 -7.033 -5.648 1.00 0.00 O ATOM 841 OD2 ASP A 52 0.329 -6.598 -3.495 1.00 0.00 O ATOM 0 H ASP A 52 -1.543 -2.334 -5.560 1.00 0.00 H new ATOM 0 HA ASP A 52 0.584 -4.284 -5.900 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.263 -4.747 -3.873 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.990 -5.572 -5.238 1.00 0.00 H new ATOM 846 N VAL A 53 -0.570 -3.543 -8.131 1.00 0.00 N ATOM 847 CA VAL A 53 -1.090 -3.569 -9.491 1.00 0.00 C ATOM 848 C VAL A 53 -1.067 -4.992 -10.051 1.00 0.00 C ATOM 849 O VAL A 53 -0.156 -5.367 -10.788 1.00 0.00 O ATOM 850 CB VAL A 53 -0.288 -2.630 -10.426 1.00 0.00 C ATOM 851 CG1 VAL A 53 1.208 -2.841 -10.267 1.00 0.00 C ATOM 852 CG2 VAL A 53 -0.698 -2.836 -11.872 1.00 0.00 C ATOM 0 H VAL A 53 0.250 -2.950 -8.004 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.120 -3.214 -9.449 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.517 -1.603 -10.141 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.744 -2.168 -10.936 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.497 -2.634 -9.237 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.458 -3.873 -10.514 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.123 -2.167 -12.512 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.506 -3.869 -12.161 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.761 -2.620 -11.983 1.00 0.00 H new ATOM 862 N TRP A 54 -2.077 -5.780 -9.688 1.00 0.00 N ATOM 863 CA TRP A 54 -2.177 -7.161 -10.143 1.00 0.00 C ATOM 864 C TRP A 54 -2.883 -7.236 -11.499 1.00 0.00 C ATOM 865 O TRP A 54 -2.243 -7.128 -12.546 1.00 0.00 O ATOM 866 CB TRP A 54 -2.918 -8.002 -9.094 1.00 0.00 C ATOM 867 CG TRP A 54 -3.230 -9.397 -9.549 1.00 0.00 C ATOM 868 CD1 TRP A 54 -4.466 -9.922 -9.796 1.00 0.00 C ATOM 869 CD2 TRP A 54 -2.290 -10.443 -9.807 1.00 0.00 C ATOM 870 NE1 TRP A 54 -4.350 -11.233 -10.192 1.00 0.00 N ATOM 871 CE2 TRP A 54 -3.024 -11.575 -10.207 1.00 0.00 C ATOM 872 CE3 TRP A 54 -0.898 -10.531 -9.739 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -2.410 -12.782 -10.537 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -0.290 -11.729 -10.067 1.00 0.00 C ATOM 875 CH2 TRP A 54 -1.046 -12.840 -10.462 1.00 0.00 C ATOM 0 H TRP A 54 -2.839 -5.483 -9.078 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.172 -7.564 -10.269 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.314 -8.052 -8.188 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.848 -7.499 -8.829 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.398 -9.386 -9.695 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.125 -11.850 -10.435 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.307 -9.679 -9.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.991 -13.640 -10.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.786 -11.809 -10.018 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.541 -13.761 -10.712 1.00 0.00 H new ATOM 886 N MET A 55 -4.201 -7.417 -11.476 1.00 0.00 N ATOM 887 CA MET A 55 -4.984 -7.501 -12.702 1.00 0.00 C ATOM 888 C MET A 55 -4.938 -6.183 -13.475 1.00 0.00 C ATOM 889 O MET A 55 -4.628 -6.168 -14.667 1.00 0.00 O ATOM 890 CB MET A 55 -6.434 -7.864 -12.380 1.00 0.00 C ATOM 891 CG MET A 55 -6.693 -9.362 -12.350 1.00 0.00 C ATOM 892 SD MET A 55 -8.315 -9.799 -13.006 1.00 0.00 S ATOM 893 CE MET A 55 -8.164 -11.580 -13.125 1.00 0.00 C ATOM 0 H MET A 55 -4.748 -7.508 -10.620 1.00 0.00 H new ATOM 0 HA MET A 55 -4.549 -8.281 -13.326 1.00 0.00 H new ATOM 0 HB2 MET A 55 -6.700 -7.438 -11.413 1.00 0.00 H new ATOM 0 HB3 MET A 55 -7.088 -7.405 -13.121 1.00 0.00 H new ATOM 0 HG2 MET A 55 -5.922 -9.872 -12.928 1.00 0.00 H new ATOM 0 HG3 MET A 55 -6.612 -9.721 -11.324 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.091 -11.998 -13.517 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.341 -11.831 -13.794 1.00 0.00 H new ATOM 0 HE3 MET A 55 -7.968 -11.995 -12.137 1.00 0.00 H new ATOM 903 N PRO A 56 -5.249 -5.053 -12.811 1.00 0.00 N ATOM 904 CA PRO A 56 -5.240 -3.735 -13.456 1.00 0.00 C ATOM 905 C PRO A 56 -3.840 -3.307 -13.882 1.00 0.00 C ATOM 906 O PRO A 56 -2.904 -4.105 -13.864 1.00 0.00 O ATOM 907 CB PRO A 56 -5.780 -2.798 -12.370 1.00 0.00 C ATOM 908 CG PRO A 56 -5.495 -3.499 -11.090 1.00 0.00 C ATOM 909 CD PRO A 56 -5.634 -4.965 -11.389 1.00 0.00 C ATOM 0 HA PRO A 56 -5.830 -3.729 -14.372 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.289 -1.825 -12.406 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.848 -2.621 -12.495 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.493 -3.266 -10.731 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.192 -3.191 -10.311 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.983 -5.569 -10.757 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.653 -5.315 -11.225 1.00 0.00 H new ATOM 917 N ASP A 57 -3.707 -2.043 -14.269 1.00 0.00 N ATOM 918 CA ASP A 57 -2.421 -1.509 -14.706 1.00 0.00 C ATOM 919 C ASP A 57 -1.940 -0.394 -13.780 1.00 0.00 C ATOM 920 O ASP A 57 -0.742 -0.121 -13.698 1.00 0.00 O ATOM 921 CB ASP A 57 -2.525 -0.987 -16.140 1.00 0.00 C ATOM 922 CG ASP A 57 -2.983 -2.054 -17.113 1.00 0.00 C ATOM 923 OD1 ASP A 57 -3.755 -2.945 -16.698 1.00 0.00 O ATOM 924 OD2 ASP A 57 -2.569 -2.002 -18.291 1.00 0.00 O ATOM 0 H ASP A 57 -4.473 -1.369 -14.289 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.693 -2.319 -14.670 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.222 -0.150 -16.169 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.554 -0.604 -16.455 1.00 0.00 H new ATOM 929 N GLY A 58 -2.875 0.251 -13.088 1.00 0.00 N ATOM 930 CA GLY A 58 -2.514 1.328 -12.186 1.00 0.00 C ATOM 931 C GLY A 58 -1.833 2.477 -12.901 1.00 0.00 C ATOM 932 O GLY A 58 -2.492 3.415 -13.350 1.00 0.00 O ATOM 0 H GLY A 58 -3.873 0.047 -13.136 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.410 1.695 -11.686 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.852 0.942 -11.411 1.00 0.00 H new ATOM 936 N ASP A 59 -0.509 2.405 -13.009 1.00 0.00 N ATOM 937 CA ASP A 59 0.266 3.448 -13.676 1.00 0.00 C ATOM 938 C ASP A 59 -0.131 4.832 -13.172 1.00 0.00 C ATOM 939 O ASP A 59 -0.066 5.816 -13.910 1.00 0.00 O ATOM 940 CB ASP A 59 0.069 3.369 -15.191 1.00 0.00 C ATOM 941 CG ASP A 59 1.312 3.774 -15.958 1.00 0.00 C ATOM 942 OD1 ASP A 59 1.768 4.924 -15.786 1.00 0.00 O ATOM 943 OD2 ASP A 59 1.831 2.940 -16.730 1.00 0.00 O ATOM 0 H ASP A 59 0.050 1.635 -12.643 1.00 0.00 H new ATOM 0 HA ASP A 59 1.318 3.286 -13.443 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.209 2.351 -15.466 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.760 4.015 -15.481 1.00 0.00 H new ATOM 948 N GLY A 60 -0.543 4.898 -11.912 1.00 0.00 N ATOM 949 CA GLY A 60 -0.946 6.163 -11.328 1.00 0.00 C ATOM 950 C GLY A 60 0.223 6.938 -10.757 1.00 0.00 C ATOM 951 O GLY A 60 0.371 7.045 -9.539 1.00 0.00 O ATOM 0 H GLY A 60 -0.605 4.097 -11.283 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.442 6.768 -12.087 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.676 5.979 -10.539 1.00 0.00 H new ATOM 955 N VAL A 61 1.056 7.486 -11.637 1.00 0.00 N ATOM 956 CA VAL A 61 2.212 8.258 -11.217 1.00 0.00 C ATOM 957 C VAL A 61 1.790 9.436 -10.347 1.00 0.00 C ATOM 958 O VAL A 61 2.450 9.766 -9.363 1.00 0.00 O ATOM 959 CB VAL A 61 2.996 8.777 -12.436 1.00 0.00 C ATOM 960 CG1 VAL A 61 4.210 9.567 -11.992 1.00 0.00 C ATOM 961 CG2 VAL A 61 3.406 7.624 -13.341 1.00 0.00 C ATOM 0 H VAL A 61 0.948 7.407 -12.648 1.00 0.00 H new ATOM 0 HA VAL A 61 2.855 7.598 -10.635 1.00 0.00 H new ATOM 0 HB VAL A 61 2.345 9.441 -13.004 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.751 9.925 -12.868 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.890 10.417 -11.390 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.863 8.927 -11.399 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.959 8.012 -14.197 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.038 6.931 -12.785 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.516 7.102 -13.691 1.00 0.00 H new ATOM 971 N ASN A 62 0.685 10.069 -10.720 1.00 0.00 N ATOM 972 CA ASN A 62 0.164 11.201 -9.997 1.00 0.00 C ATOM 973 C ASN A 62 -0.509 10.772 -8.692 1.00 0.00 C ATOM 974 O ASN A 62 -0.826 11.609 -7.847 1.00 0.00 O ATOM 975 CB ASN A 62 -0.834 11.920 -10.891 1.00 0.00 C ATOM 976 CG ASN A 62 -1.942 11.006 -11.376 1.00 0.00 C ATOM 977 OD1 ASN A 62 -2.896 10.728 -10.648 1.00 0.00 O ATOM 978 ND2 ASN A 62 -1.823 10.535 -12.611 1.00 0.00 N ATOM 0 H ASN A 62 0.131 9.805 -11.535 1.00 0.00 H new ATOM 0 HA ASN A 62 0.987 11.865 -9.732 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.270 12.756 -10.344 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.311 12.339 -11.750 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.539 9.916 -12.992 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.016 10.792 -13.179 1.00 0.00 H new ATOM 985 N PHE A 63 -0.734 9.467 -8.534 1.00 0.00 N ATOM 986 CA PHE A 63 -1.377 8.947 -7.332 1.00 0.00 C ATOM 987 C PHE A 63 -0.521 9.189 -6.093 1.00 0.00 C ATOM 988 O PHE A 63 -1.029 9.587 -5.046 1.00 0.00 O ATOM 989 CB PHE A 63 -1.668 7.451 -7.473 1.00 0.00 C ATOM 990 CG PHE A 63 -2.417 6.891 -6.298 1.00 0.00 C ATOM 991 CD1 PHE A 63 -3.679 7.365 -5.982 1.00 0.00 C ATOM 992 CD2 PHE A 63 -1.855 5.907 -5.498 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.369 6.867 -4.896 1.00 0.00 C ATOM 994 CE2 PHE A 63 -2.541 5.408 -4.407 1.00 0.00 C ATOM 995 CZ PHE A 63 -3.802 5.889 -4.106 1.00 0.00 C ATOM 0 H PHE A 63 -0.481 8.756 -9.220 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.318 9.483 -7.212 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.247 7.282 -8.381 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.728 6.912 -7.589 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.129 8.134 -6.593 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.871 5.527 -5.730 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.354 7.243 -4.664 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.093 4.643 -3.790 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.341 5.500 -3.255 1.00 0.00 H new ATOM 1005 N ILE A 64 0.780 8.940 -6.213 1.00 0.00 N ATOM 1006 CA ILE A 64 1.701 9.130 -5.096 1.00 0.00 C ATOM 1007 C ILE A 64 1.492 10.489 -4.434 1.00 0.00 C ATOM 1008 O ILE A 64 1.741 10.653 -3.240 1.00 0.00 O ATOM 1009 CB ILE A 64 3.170 9.005 -5.546 1.00 0.00 C ATOM 1010 CG1 ILE A 64 3.389 7.686 -6.291 1.00 0.00 C ATOM 1011 CG2 ILE A 64 4.104 9.103 -4.348 1.00 0.00 C ATOM 1012 CD1 ILE A 64 3.499 7.852 -7.791 1.00 0.00 C ATOM 0 H ILE A 64 1.220 8.607 -7.071 1.00 0.00 H new ATOM 0 HA ILE A 64 1.486 8.342 -4.374 1.00 0.00 H new ATOM 0 HB ILE A 64 3.395 9.827 -6.226 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.298 7.214 -5.918 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.564 7.010 -6.068 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.137 9.013 -4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.965 10.066 -3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.880 8.301 -3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.653 6.878 -8.255 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.581 8.296 -8.176 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.342 8.502 -8.024 1.00 0.00 H new ATOM 1024 N ASP A 65 1.029 11.458 -5.216 1.00 0.00 N ATOM 1025 CA ASP A 65 0.782 12.798 -4.700 1.00 0.00 C ATOM 1026 C ASP A 65 -0.521 12.839 -3.910 1.00 0.00 C ATOM 1027 O ASP A 65 -0.654 13.606 -2.961 1.00 0.00 O ATOM 1028 CB ASP A 65 0.737 13.812 -5.844 1.00 0.00 C ATOM 1029 CG ASP A 65 1.409 15.123 -5.482 1.00 0.00 C ATOM 1030 OD1 ASP A 65 0.830 15.886 -4.680 1.00 0.00 O ATOM 1031 OD2 ASP A 65 2.516 15.386 -6.000 1.00 0.00 O ATOM 0 H ASP A 65 0.818 11.341 -6.207 1.00 0.00 H new ATOM 0 HA ASP A 65 1.601 13.061 -4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.224 13.387 -6.722 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.301 14.002 -6.117 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.476 12.002 -4.299 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.757 11.941 -3.610 1.00 0.00 C ATOM 1038 C PHE A 66 -2.551 11.471 -2.175 1.00 0.00 C ATOM 1039 O PHE A 66 -3.110 12.038 -1.236 1.00 0.00 O ATOM 1040 CB PHE A 66 -3.715 10.998 -4.349 1.00 0.00 C ATOM 1041 CG PHE A 66 -4.889 10.546 -3.523 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -4.760 9.495 -2.627 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.118 11.174 -3.641 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -5.836 9.082 -1.865 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.197 10.764 -2.882 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.055 9.718 -1.992 1.00 0.00 C ATOM 0 H PHE A 66 -1.387 11.359 -5.085 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.199 12.937 -3.595 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.085 11.500 -5.243 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.160 10.121 -4.683 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.809 8.994 -2.524 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.234 11.994 -4.334 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.724 8.262 -1.171 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.150 11.261 -2.985 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.897 9.398 -1.396 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.732 10.436 -2.015 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.440 9.894 -0.696 1.00 0.00 C ATOM 1058 C ILE A 67 -0.776 10.951 0.178 1.00 0.00 C ATOM 1059 O ILE A 67 -1.125 11.111 1.346 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.534 8.648 -0.783 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.242 7.529 -1.551 1.00 0.00 C ATOM 1062 CG2 ILE A 67 -0.143 8.169 0.609 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.022 7.584 -3.047 1.00 0.00 C ATOM 0 H ILE A 67 -1.260 9.958 -2.782 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.388 9.596 -0.248 1.00 0.00 H new ATOM 0 HB ILE A 67 0.375 8.921 -1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.893 6.567 -1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.312 7.581 -1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.496 7.290 0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.396 8.961 1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.041 7.913 1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.554 6.760 -3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.397 8.531 -3.435 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.043 7.500 -3.261 1.00 0.00 H new ATOM 1075 N LYS A 68 0.175 11.681 -0.396 1.00 0.00 N ATOM 1076 CA LYS A 68 0.870 12.728 0.341 1.00 0.00 C ATOM 1077 C LYS A 68 0.006 13.983 0.438 1.00 0.00 C ATOM 1078 O LYS A 68 0.188 14.806 1.335 1.00 0.00 O ATOM 1079 CB LYS A 68 2.210 13.055 -0.315 1.00 0.00 C ATOM 1080 CG LYS A 68 2.078 13.550 -1.734 1.00 0.00 C ATOM 1081 CD LYS A 68 1.956 15.066 -1.793 1.00 0.00 C ATOM 1082 CE LYS A 68 3.134 15.692 -2.525 1.00 0.00 C ATOM 1083 NZ LYS A 68 2.968 17.163 -2.687 1.00 0.00 N ATOM 0 H LYS A 68 0.480 11.567 -1.363 1.00 0.00 H new ATOM 0 HA LYS A 68 1.062 12.361 1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.722 13.812 0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.838 12.164 -0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.945 13.232 -2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.202 13.096 -2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.028 15.338 -2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.900 15.467 -0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.053 15.489 -1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.240 15.228 -3.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.791 17.552 -3.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.105 17.357 -3.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.892 17.609 -1.751 1.00 0.00 H new ATOM 1097 N GLU A 69 -0.946 14.118 -0.486 1.00 0.00 N ATOM 1098 CA GLU A 69 -1.847 15.265 -0.494 1.00 0.00 C ATOM 1099 C GLU A 69 -2.687 15.283 0.775 1.00 0.00 C ATOM 1100 O GLU A 69 -2.933 16.338 1.359 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.764 15.220 -1.718 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.550 16.502 -1.936 1.00 0.00 C ATOM 1103 CD GLU A 69 -4.734 16.308 -2.864 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -5.503 15.347 -2.654 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -4.890 17.118 -3.802 1.00 0.00 O ATOM 0 H GLU A 69 -1.111 13.447 -1.236 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.245 16.172 -0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.163 15.017 -2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.462 14.390 -1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.903 16.875 -0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.889 17.263 -2.350 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.121 14.100 1.193 1.00 0.00 N ATOM 1113 CA ASN A 70 -3.934 13.957 2.394 1.00 0.00 C ATOM 1114 C ASN A 70 -3.277 12.991 3.380 1.00 0.00 C ATOM 1115 O ASN A 70 -3.922 12.509 4.311 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.338 13.457 2.034 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.787 13.906 0.655 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -6.650 14.774 0.522 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.200 13.316 -0.382 1.00 0.00 N ATOM 0 H ASN A 70 -2.922 13.221 0.715 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.016 14.936 2.865 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.354 12.368 2.079 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.049 13.817 2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.460 13.578 -1.333 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.489 12.601 -0.227 1.00 0.00 H new ATOM 1126 N SER A 71 -1.994 12.710 3.165 1.00 0.00 N ATOM 1127 CA SER A 71 -1.254 11.799 4.029 1.00 0.00 C ATOM 1128 C SER A 71 0.240 11.841 3.707 1.00 0.00 C ATOM 1129 O SER A 71 0.791 10.894 3.145 1.00 0.00 O ATOM 1130 CB SER A 71 -1.790 10.374 3.868 1.00 0.00 C ATOM 1131 OG SER A 71 -1.976 9.753 5.128 1.00 0.00 O ATOM 0 H SER A 71 -1.446 13.101 2.399 1.00 0.00 H new ATOM 0 HA SER A 71 -1.390 12.116 5.063 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.736 10.397 3.327 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.095 9.786 3.269 1.00 0.00 H new ATOM 0 HG SER A 71 -1.116 9.420 5.459 1.00 0.00 H new ATOM 1137 N PRO A 72 0.918 12.948 4.057 1.00 0.00 N ATOM 1138 CA PRO A 72 2.346 13.120 3.805 1.00 0.00 C ATOM 1139 C PRO A 72 3.212 12.458 4.871 1.00 0.00 C ATOM 1140 O PRO A 72 4.434 12.388 4.738 1.00 0.00 O ATOM 1141 CB PRO A 72 2.540 14.646 3.828 1.00 0.00 C ATOM 1142 CG PRO A 72 1.213 15.240 4.200 1.00 0.00 C ATOM 1143 CD PRO A 72 0.355 14.122 4.722 1.00 0.00 C ATOM 0 HA PRO A 72 2.646 12.654 2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.307 14.928 4.549 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.868 15.010 2.854 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.337 16.015 4.957 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.746 15.711 3.335 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.413 14.040 5.807 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.696 14.266 4.469 1.00 0.00 H new ATOM 1151 N ASP A 73 2.572 11.977 5.926 1.00 0.00 N ATOM 1152 CA ASP A 73 3.281 11.321 7.020 1.00 0.00 C ATOM 1153 C ASP A 73 3.177 9.799 6.924 1.00 0.00 C ATOM 1154 O ASP A 73 3.759 9.080 7.736 1.00 0.00 O ATOM 1155 CB ASP A 73 2.732 11.794 8.363 1.00 0.00 C ATOM 1156 CG ASP A 73 3.789 11.806 9.450 1.00 0.00 C ATOM 1157 OD1 ASP A 73 3.987 10.756 10.096 1.00 0.00 O ATOM 1158 OD2 ASP A 73 4.418 12.866 9.653 1.00 0.00 O ATOM 0 H ASP A 73 1.561 12.028 6.050 1.00 0.00 H new ATOM 0 HA ASP A 73 4.334 11.593 6.942 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.320 12.797 8.251 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.911 11.144 8.666 1.00 0.00 H new ATOM 1163 N SER A 74 2.432 9.311 5.936 1.00 0.00 N ATOM 1164 CA SER A 74 2.254 7.879 5.751 1.00 0.00 C ATOM 1165 C SER A 74 3.337 7.298 4.846 1.00 0.00 C ATOM 1166 O SER A 74 4.314 7.972 4.517 1.00 0.00 O ATOM 1167 CB SER A 74 0.872 7.596 5.162 1.00 0.00 C ATOM 1168 OG SER A 74 0.265 8.786 4.695 1.00 0.00 O ATOM 0 H SER A 74 1.943 9.889 5.252 1.00 0.00 H new ATOM 0 HA SER A 74 2.337 7.399 6.726 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.961 6.883 4.342 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.238 7.133 5.919 1.00 0.00 H new ATOM 0 HG SER A 74 0.780 9.142 3.941 1.00 0.00 H new ATOM 1174 N VAL A 75 3.156 6.041 4.450 1.00 0.00 N ATOM 1175 CA VAL A 75 4.113 5.361 3.588 1.00 0.00 C ATOM 1176 C VAL A 75 3.422 4.764 2.368 1.00 0.00 C ATOM 1177 O VAL A 75 2.266 4.350 2.440 1.00 0.00 O ATOM 1178 CB VAL A 75 4.846 4.238 4.348 1.00 0.00 C ATOM 1179 CG1 VAL A 75 5.886 3.573 3.456 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.489 4.785 5.614 1.00 0.00 C ATOM 0 H VAL A 75 2.352 5.472 4.715 1.00 0.00 H new ATOM 0 HA VAL A 75 4.838 6.107 3.263 1.00 0.00 H new ATOM 0 HB VAL A 75 4.115 3.482 4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.391 2.784 4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.395 3.144 2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.617 4.315 3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.002 3.979 6.139 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.207 5.562 5.351 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.719 5.206 6.260 1.00 0.00 H new ATOM 1190 N VAL A 76 4.132 4.721 1.246 1.00 0.00 N ATOM 1191 CA VAL A 76 3.579 4.170 0.015 1.00 0.00 C ATOM 1192 C VAL A 76 4.496 3.095 -0.560 1.00 0.00 C ATOM 1193 O VAL A 76 5.503 3.402 -1.199 1.00 0.00 O ATOM 1194 CB VAL A 76 3.355 5.262 -1.050 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.410 4.765 -2.131 1.00 0.00 C ATOM 1196 CG2 VAL A 76 2.822 6.537 -0.411 1.00 0.00 C ATOM 0 H VAL A 76 5.090 5.061 1.164 1.00 0.00 H new ATOM 0 HA VAL A 76 2.616 3.730 0.272 1.00 0.00 H new ATOM 0 HB VAL A 76 4.315 5.492 -1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.263 5.549 -2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.837 3.885 -2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.451 4.505 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.671 7.294 -1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.873 6.327 0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.540 6.904 0.323 1.00 0.00 H new ATOM 1206 N ILE A 77 4.145 1.834 -0.326 1.00 0.00 N ATOM 1207 CA ILE A 77 4.940 0.713 -0.819 1.00 0.00 C ATOM 1208 C ILE A 77 4.309 0.096 -2.063 1.00 0.00 C ATOM 1209 O ILE A 77 3.767 -1.006 -2.013 1.00 0.00 O ATOM 1210 CB ILE A 77 5.102 -0.386 0.254 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.328 0.231 1.639 1.00 0.00 C ATOM 1212 CG2 ILE A 77 6.244 -1.322 -0.115 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.683 0.887 1.808 1.00 0.00 C ATOM 0 H ILE A 77 3.316 1.562 0.202 1.00 0.00 H new ATOM 0 HA ILE A 77 5.922 1.114 -1.069 1.00 0.00 H new ATOM 0 HB ILE A 77 4.180 -0.966 0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.551 0.972 1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.216 -0.547 2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.346 -2.091 0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.033 -1.792 -1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.172 -0.754 -0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.765 1.299 2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.468 0.146 1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.793 1.688 1.077 1.00 0.00 H new ATOM 1225 N VAL A 78 4.383 0.810 -3.180 1.00 0.00 N ATOM 1226 CA VAL A 78 3.818 0.323 -4.435 1.00 0.00 C ATOM 1227 C VAL A 78 4.580 -0.899 -4.946 1.00 0.00 C ATOM 1228 O VAL A 78 5.810 -0.910 -4.968 1.00 0.00 O ATOM 1229 CB VAL A 78 3.830 1.422 -5.515 1.00 0.00 C ATOM 1230 CG1 VAL A 78 3.107 0.952 -6.768 1.00 0.00 C ATOM 1231 CG2 VAL A 78 3.204 2.701 -4.980 1.00 0.00 C ATOM 0 H VAL A 78 4.827 1.726 -3.244 1.00 0.00 H new ATOM 0 HA VAL A 78 2.786 0.038 -4.232 1.00 0.00 H new ATOM 0 HB VAL A 78 4.866 1.632 -5.780 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.127 1.743 -7.518 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.602 0.065 -7.163 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.073 0.711 -6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.221 3.466 -5.756 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.173 2.506 -4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.769 3.049 -4.115 1.00 0.00 H new ATOM 1241 N ILE A 79 3.838 -1.928 -5.348 1.00 0.00 N ATOM 1242 CA ILE A 79 4.439 -3.162 -5.853 1.00 0.00 C ATOM 1243 C ILE A 79 3.619 -3.732 -7.008 1.00 0.00 C ATOM 1244 O ILE A 79 2.556 -3.208 -7.340 1.00 0.00 O ATOM 1245 CB ILE A 79 4.553 -4.231 -4.740 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.757 -3.570 -3.378 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.693 -5.196 -5.032 1.00 0.00 C ATOM 1248 CD1 ILE A 79 4.730 -4.546 -2.222 1.00 0.00 C ATOM 0 H ILE A 79 2.818 -1.933 -5.334 1.00 0.00 H new ATOM 0 HA ILE A 79 5.439 -2.910 -6.205 1.00 0.00 H new ATOM 0 HB ILE A 79 3.621 -4.795 -4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.712 -3.045 -3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.981 -2.820 -3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.754 -5.938 -4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.511 -5.697 -5.983 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.632 -4.645 -5.086 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.881 -4.007 -1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.766 -5.053 -2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.524 -5.282 -2.349 1.00 0.00 H new ATOM 1260 N THR A 80 4.115 -4.812 -7.615 1.00 0.00 N ATOM 1261 CA THR A 80 3.431 -5.465 -8.733 1.00 0.00 C ATOM 1262 C THR A 80 3.671 -4.715 -10.039 1.00 0.00 C ATOM 1263 O THR A 80 3.839 -3.497 -10.046 1.00 0.00 O ATOM 1264 CB THR A 80 1.926 -5.584 -8.460 1.00 0.00 C ATOM 1265 OG1 THR A 80 1.670 -5.570 -7.069 1.00 0.00 O ATOM 1266 CG2 THR A 80 1.312 -6.847 -9.019 1.00 0.00 C ATOM 0 H THR A 80 4.994 -5.255 -7.349 1.00 0.00 H new ATOM 0 HA THR A 80 3.847 -6.468 -8.832 1.00 0.00 H new ATOM 0 HB THR A 80 1.475 -4.727 -8.959 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.002 -6.253 -6.852 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.247 -6.866 -8.790 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.451 -6.872 -10.100 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.795 -7.715 -8.571 1.00 0.00 H new ATOM 1274 N GLY A 81 3.689 -5.456 -11.143 1.00 0.00 N ATOM 1275 CA GLY A 81 3.912 -4.849 -12.443 1.00 0.00 C ATOM 1276 C GLY A 81 4.312 -5.866 -13.494 1.00 0.00 C ATOM 1277 O GLY A 81 5.497 -6.037 -13.783 1.00 0.00 O ATOM 0 H GLY A 81 3.553 -6.467 -11.160 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.004 -4.338 -12.763 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.691 -4.092 -12.359 1.00 0.00 H new ATOM 1281 N HIS A 82 3.322 -6.546 -14.066 1.00 0.00 N ATOM 1282 CA HIS A 82 3.574 -7.555 -15.089 1.00 0.00 C ATOM 1283 C HIS A 82 4.307 -6.956 -16.285 1.00 0.00 C ATOM 1284 O HIS A 82 3.741 -6.167 -17.041 1.00 0.00 O ATOM 1285 CB HIS A 82 2.258 -8.185 -15.547 1.00 0.00 C ATOM 1286 CG HIS A 82 1.354 -8.567 -14.416 1.00 0.00 C ATOM 1287 ND1 HIS A 82 1.754 -9.381 -13.377 1.00 0.00 N ATOM 1288 CD2 HIS A 82 0.065 -8.241 -14.162 1.00 0.00 C ATOM 1289 CE1 HIS A 82 0.750 -9.539 -12.534 1.00 0.00 C ATOM 1290 NE2 HIS A 82 -0.286 -8.858 -12.987 1.00 0.00 N ATOM 0 H HIS A 82 2.336 -6.416 -13.838 1.00 0.00 H new ATOM 0 HA HIS A 82 4.208 -8.326 -14.651 1.00 0.00 H new ATOM 0 HB2 HIS A 82 1.736 -7.484 -16.198 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.476 -9.071 -16.143 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.569 -7.613 -14.770 1.00 0.00 H new ATOM 0 HE1 HIS A 82 0.773 -10.126 -11.628 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -1.199 -8.800 -12.537 1.00 0.00 H new ATOM 1299 N GLY A 83 5.570 -7.339 -16.450 1.00 0.00 N ATOM 1300 CA GLY A 83 6.363 -6.833 -17.558 1.00 0.00 C ATOM 1301 C GLY A 83 6.389 -5.318 -17.614 1.00 0.00 C ATOM 1302 O GLY A 83 5.966 -4.720 -18.604 1.00 0.00 O ATOM 0 H GLY A 83 6.059 -7.991 -15.836 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.383 -7.207 -17.470 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.961 -7.220 -18.494 1.00 0.00 H new ATOM 1306 N SER A 84 6.884 -4.696 -16.550 1.00 0.00 N ATOM 1307 CA SER A 84 6.960 -3.241 -16.484 1.00 0.00 C ATOM 1308 C SER A 84 7.834 -2.794 -15.316 1.00 0.00 C ATOM 1309 O SER A 84 7.398 -2.796 -14.165 1.00 0.00 O ATOM 1310 CB SER A 84 5.560 -2.641 -16.349 1.00 0.00 C ATOM 1311 OG SER A 84 4.918 -2.555 -17.609 1.00 0.00 O ATOM 0 H SER A 84 7.238 -5.175 -15.722 1.00 0.00 H new ATOM 0 HA SER A 84 7.412 -2.884 -17.409 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.962 -3.253 -15.674 1.00 0.00 H new ATOM 0 HB3 SER A 84 5.628 -1.649 -15.903 1.00 0.00 H new ATOM 0 HG SER A 84 5.442 -3.044 -18.277 1.00 0.00 H new ATOM 1317 N VAL A 85 9.069 -2.409 -15.622 1.00 0.00 N ATOM 1318 CA VAL A 85 10.004 -1.956 -14.599 1.00 0.00 C ATOM 1319 C VAL A 85 10.258 -0.456 -14.716 1.00 0.00 C ATOM 1320 O VAL A 85 11.341 0.029 -14.388 1.00 0.00 O ATOM 1321 CB VAL A 85 11.346 -2.712 -14.694 1.00 0.00 C ATOM 1322 CG1 VAL A 85 12.048 -2.403 -16.009 1.00 0.00 C ATOM 1323 CG2 VAL A 85 12.240 -2.372 -13.508 1.00 0.00 C ATOM 0 H VAL A 85 9.445 -2.402 -16.570 1.00 0.00 H new ATOM 0 HA VAL A 85 9.549 -2.166 -13.631 1.00 0.00 H new ATOM 0 HB VAL A 85 11.138 -3.782 -14.666 1.00 0.00 H new ATOM 0 HG11 VAL A 85 12.992 -2.947 -16.054 1.00 0.00 H new ATOM 0 HG12 VAL A 85 11.413 -2.708 -16.841 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.242 -1.333 -16.075 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.181 -2.915 -13.594 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.439 -1.300 -13.498 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.740 -2.657 -12.582 1.00 0.00 H new ATOM 1333 N ASP A 86 9.252 0.274 -15.186 1.00 0.00 N ATOM 1334 CA ASP A 86 9.368 1.719 -15.346 1.00 0.00 C ATOM 1335 C ASP A 86 8.400 2.451 -14.423 1.00 0.00 C ATOM 1336 O ASP A 86 8.713 3.528 -13.915 1.00 0.00 O ATOM 1337 CB ASP A 86 9.104 2.116 -16.799 1.00 0.00 C ATOM 1338 CG ASP A 86 7.708 1.741 -17.256 1.00 0.00 C ATOM 1339 OD1 ASP A 86 7.357 0.544 -17.172 1.00 0.00 O ATOM 1340 OD2 ASP A 86 6.965 2.642 -17.700 1.00 0.00 O ATOM 0 H ASP A 86 8.349 -0.110 -15.462 1.00 0.00 H new ATOM 0 HA ASP A 86 10.384 2.007 -15.077 1.00 0.00 H new ATOM 0 HB2 ASP A 86 9.243 3.191 -16.910 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.837 1.632 -17.444 1.00 0.00 H new ATOM 1345 N THR A 87 7.228 1.862 -14.195 1.00 0.00 N ATOM 1346 CA THR A 87 6.238 2.472 -13.316 1.00 0.00 C ATOM 1347 C THR A 87 6.813 2.620 -11.913 1.00 0.00 C ATOM 1348 O THR A 87 6.481 3.555 -11.185 1.00 0.00 O ATOM 1349 CB THR A 87 4.943 1.645 -13.295 1.00 0.00 C ATOM 1350 OG1 THR A 87 3.823 2.480 -13.065 1.00 0.00 O ATOM 1351 CG2 THR A 87 4.919 0.553 -12.240 1.00 0.00 C ATOM 0 H THR A 87 6.944 0.971 -14.603 1.00 0.00 H new ATOM 0 HA THR A 87 5.992 3.463 -13.698 1.00 0.00 H new ATOM 0 HB THR A 87 4.901 1.170 -14.275 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.007 1.938 -13.056 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.971 0.017 -12.293 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.739 -0.142 -12.417 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.029 0.999 -11.252 1.00 0.00 H new ATOM 1359 N ALA A 88 7.696 1.694 -11.552 1.00 0.00 N ATOM 1360 CA ALA A 88 8.342 1.720 -10.251 1.00 0.00 C ATOM 1361 C ALA A 88 9.153 2.995 -10.093 1.00 0.00 C ATOM 1362 O ALA A 88 8.911 3.797 -9.193 1.00 0.00 O ATOM 1363 CB ALA A 88 9.239 0.504 -10.086 1.00 0.00 C ATOM 0 H ALA A 88 7.979 0.915 -12.147 1.00 0.00 H new ATOM 0 HA ALA A 88 7.574 1.696 -9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.717 0.535 -9.107 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.641 -0.403 -10.169 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.003 0.507 -10.863 1.00 0.00 H new ATOM 1369 N VAL A 89 10.115 3.174 -10.989 1.00 0.00 N ATOM 1370 CA VAL A 89 10.966 4.352 -10.971 1.00 0.00 C ATOM 1371 C VAL A 89 10.147 5.620 -11.199 1.00 0.00 C ATOM 1372 O VAL A 89 10.552 6.712 -10.802 1.00 0.00 O ATOM 1373 CB VAL A 89 12.073 4.253 -12.038 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.899 2.995 -11.824 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.477 4.272 -13.439 1.00 0.00 C ATOM 0 H VAL A 89 10.324 2.515 -11.739 1.00 0.00 H new ATOM 0 HA VAL A 89 11.431 4.403 -9.986 1.00 0.00 H new ATOM 0 HB VAL A 89 12.727 5.119 -11.938 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.678 2.937 -12.585 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.358 3.025 -10.836 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.254 2.119 -11.898 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.277 4.201 -14.176 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.799 3.427 -13.557 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.928 5.202 -13.588 1.00 0.00 H new ATOM 1385 N LYS A 90 8.985 5.463 -11.831 1.00 0.00 N ATOM 1386 CA LYS A 90 8.101 6.591 -12.098 1.00 0.00 C ATOM 1387 C LYS A 90 7.080 6.750 -10.976 1.00 0.00 C ATOM 1388 O LYS A 90 5.976 7.251 -11.191 1.00 0.00 O ATOM 1389 CB LYS A 90 7.379 6.398 -13.430 1.00 0.00 C ATOM 1390 CG LYS A 90 6.769 7.676 -13.984 1.00 0.00 C ATOM 1391 CD LYS A 90 6.088 7.434 -15.322 1.00 0.00 C ATOM 1392 CE LYS A 90 7.049 7.638 -16.484 1.00 0.00 C ATOM 1393 NZ LYS A 90 7.241 6.389 -17.271 1.00 0.00 N ATOM 0 H LYS A 90 8.636 4.565 -12.167 1.00 0.00 H new ATOM 0 HA LYS A 90 8.709 7.494 -12.151 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.082 5.995 -14.159 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.591 5.655 -13.302 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.045 8.073 -13.273 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.547 8.430 -14.102 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.691 6.419 -15.351 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.240 8.111 -15.427 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.668 8.423 -17.137 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.012 7.979 -16.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.902 6.570 -18.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.629 5.646 -16.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.327 6.077 -17.656 1.00 0.00 H new ATOM 1407 N ALA A 91 7.457 6.315 -9.778 1.00 0.00 N ATOM 1408 CA ALA A 91 6.579 6.398 -8.620 1.00 0.00 C ATOM 1409 C ALA A 91 7.383 6.443 -7.326 1.00 0.00 C ATOM 1410 O ALA A 91 7.055 7.190 -6.404 1.00 0.00 O ATOM 1411 CB ALA A 91 5.622 5.215 -8.605 1.00 0.00 C ATOM 0 H ALA A 91 8.369 5.900 -9.585 1.00 0.00 H new ATOM 0 HA ALA A 91 6.004 7.321 -8.693 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.969 5.286 -7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.019 5.223 -9.513 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.192 4.287 -8.556 1.00 0.00 H new ATOM 1417 N ILE A 92 8.435 5.631 -7.260 1.00 0.00 N ATOM 1418 CA ILE A 92 9.282 5.571 -6.076 1.00 0.00 C ATOM 1419 C ILE A 92 10.090 6.855 -5.900 1.00 0.00 C ATOM 1420 O ILE A 92 10.536 7.170 -4.796 1.00 0.00 O ATOM 1421 CB ILE A 92 10.235 4.356 -6.123 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.385 4.589 -7.108 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.468 3.096 -6.498 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.355 3.428 -7.178 1.00 0.00 C ATOM 0 H ILE A 92 8.720 5.006 -8.014 1.00 0.00 H new ATOM 0 HA ILE A 92 8.617 5.459 -5.219 1.00 0.00 H new ATOM 0 HB ILE A 92 10.663 4.228 -5.129 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.973 4.770 -8.101 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.926 5.489 -6.818 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.153 2.248 -6.527 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.691 2.909 -5.757 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.011 3.227 -7.479 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.145 3.657 -7.893 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.793 3.260 -6.194 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.826 2.530 -7.497 1.00 0.00 H new ATOM 1436 N LYS A 93 10.272 7.593 -6.989 1.00 0.00 N ATOM 1437 CA LYS A 93 11.023 8.842 -6.945 1.00 0.00 C ATOM 1438 C LYS A 93 10.083 10.038 -6.832 1.00 0.00 C ATOM 1439 O LYS A 93 10.418 11.145 -7.253 1.00 0.00 O ATOM 1440 CB LYS A 93 11.896 8.981 -8.193 1.00 0.00 C ATOM 1441 CG LYS A 93 13.194 9.734 -7.946 1.00 0.00 C ATOM 1442 CD LYS A 93 13.848 10.161 -9.250 1.00 0.00 C ATOM 1443 CE LYS A 93 13.610 11.634 -9.538 1.00 0.00 C ATOM 1444 NZ LYS A 93 14.805 12.281 -10.148 1.00 0.00 N ATOM 0 H LYS A 93 9.911 7.349 -7.911 1.00 0.00 H new ATOM 0 HA LYS A 93 11.663 8.821 -6.063 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.129 7.987 -8.576 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.328 9.496 -8.968 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.995 10.613 -7.333 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.881 9.102 -7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.920 9.968 -9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.453 9.561 -10.070 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.758 11.740 -10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.352 12.148 -8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.602 13.285 -10.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.612 12.203 -9.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.036 11.808 -11.045 1.00 0.00 H new ATOM 1458 N LYS A 94 8.902 9.808 -6.262 1.00 0.00 N ATOM 1459 CA LYS A 94 7.915 10.869 -6.098 1.00 0.00 C ATOM 1460 C LYS A 94 7.318 10.867 -4.690 1.00 0.00 C ATOM 1461 O LYS A 94 6.376 11.609 -4.411 1.00 0.00 O ATOM 1462 CB LYS A 94 6.801 10.719 -7.133 1.00 0.00 C ATOM 1463 CG LYS A 94 5.757 11.823 -7.069 1.00 0.00 C ATOM 1464 CD LYS A 94 4.953 11.904 -8.356 1.00 0.00 C ATOM 1465 CE LYS A 94 5.651 12.768 -9.394 1.00 0.00 C ATOM 1466 NZ LYS A 94 4.716 13.218 -10.463 1.00 0.00 N ATOM 0 H LYS A 94 8.607 8.898 -5.907 1.00 0.00 H new ATOM 0 HA LYS A 94 8.424 11.821 -6.249 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.242 10.705 -8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.309 9.757 -6.988 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.085 11.642 -6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.247 12.779 -6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.803 10.901 -8.757 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.965 12.314 -8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.090 13.638 -8.906 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.471 12.206 -9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.256 13.453 -11.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.041 12.456 -10.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.197 14.059 -10.139 1.00 0.00 H new ATOM 1480 N GLY A 95 7.867 10.038 -3.805 1.00 0.00 N ATOM 1481 CA GLY A 95 7.362 9.975 -2.446 1.00 0.00 C ATOM 1482 C GLY A 95 7.224 8.553 -1.932 1.00 0.00 C ATOM 1483 O GLY A 95 7.223 8.324 -0.723 1.00 0.00 O ATOM 0 H GLY A 95 8.648 9.413 -4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.032 10.530 -1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.391 10.468 -2.401 1.00 0.00 H new ATOM 1487 N ALA A 96 7.101 7.597 -2.848 1.00 0.00 N ATOM 1488 CA ALA A 96 6.956 6.196 -2.466 1.00 0.00 C ATOM 1489 C ALA A 96 8.163 5.712 -1.671 1.00 0.00 C ATOM 1490 O ALA A 96 9.074 6.484 -1.373 1.00 0.00 O ATOM 1491 CB ALA A 96 6.740 5.325 -3.697 1.00 0.00 C ATOM 0 H ALA A 96 7.099 7.765 -3.854 1.00 0.00 H new ATOM 0 HA ALA A 96 6.079 6.113 -1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.634 4.284 -3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.836 5.645 -4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.595 5.422 -4.366 1.00 0.00 H new ATOM 1497 N TYR A 97 8.155 4.430 -1.320 1.00 0.00 N ATOM 1498 CA TYR A 97 9.241 3.839 -0.547 1.00 0.00 C ATOM 1499 C TYR A 97 9.950 2.743 -1.337 1.00 0.00 C ATOM 1500 O TYR A 97 10.484 1.800 -0.758 1.00 0.00 O ATOM 1501 CB TYR A 97 8.688 3.264 0.751 1.00 0.00 C ATOM 1502 CG TYR A 97 9.750 2.880 1.756 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.378 3.844 2.532 1.00 0.00 C ATOM 1504 CD2 TYR A 97 10.121 1.553 1.929 1.00 0.00 C ATOM 1505 CE1 TYR A 97 11.349 3.497 3.453 1.00 0.00 C ATOM 1506 CE2 TYR A 97 11.089 1.197 2.848 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.700 2.173 3.607 1.00 0.00 C ATOM 1508 OH TYR A 97 12.666 1.822 4.523 1.00 0.00 O ATOM 0 H TYR A 97 7.407 3.780 -1.559 1.00 0.00 H new ATOM 0 HA TYR A 97 9.968 4.620 -0.325 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.020 3.996 1.205 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.087 2.385 0.520 1.00 0.00 H new ATOM 0 HD1 TYR A 97 10.104 4.882 2.415 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.645 0.787 1.335 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.830 4.259 4.048 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.366 0.160 2.971 1.00 0.00 H new ATOM 0 HH TYR A 97 12.794 0.851 4.508 1.00 0.00 H new ATOM 1518 N GLU A 98 9.942 2.885 -2.660 1.00 0.00 N ATOM 1519 CA GLU A 98 10.576 1.924 -3.571 1.00 0.00 C ATOM 1520 C GLU A 98 9.615 0.800 -3.944 1.00 0.00 C ATOM 1521 O GLU A 98 8.644 0.532 -3.237 1.00 0.00 O ATOM 1522 CB GLU A 98 11.877 1.351 -2.980 1.00 0.00 C ATOM 1523 CG GLU A 98 11.714 0.015 -2.259 1.00 0.00 C ATOM 1524 CD GLU A 98 12.659 -0.131 -1.082 1.00 0.00 C ATOM 1525 OE1 GLU A 98 12.285 0.284 0.034 1.00 0.00 O ATOM 1526 OE2 GLU A 98 13.773 -0.662 -1.277 1.00 0.00 O ATOM 0 H GLU A 98 9.496 3.670 -3.136 1.00 0.00 H new ATOM 0 HA GLU A 98 10.835 2.468 -4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.603 1.229 -3.784 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.294 2.077 -2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.686 -0.082 -1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.889 -0.798 -2.964 1.00 0.00 H new ATOM 1533 N PHE A 99 9.897 0.151 -5.069 1.00 0.00 N ATOM 1534 CA PHE A 99 9.066 -0.941 -5.557 1.00 0.00 C ATOM 1535 C PHE A 99 9.572 -2.286 -5.046 1.00 0.00 C ATOM 1536 O PHE A 99 10.565 -2.816 -5.544 1.00 0.00 O ATOM 1537 CB PHE A 99 9.049 -0.940 -7.085 1.00 0.00 C ATOM 1538 CG PHE A 99 7.705 -0.624 -7.676 1.00 0.00 C ATOM 1539 CD1 PHE A 99 7.072 0.573 -7.385 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.078 -1.522 -8.525 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.838 0.870 -7.931 1.00 0.00 C ATOM 1542 CE2 PHE A 99 5.844 -1.230 -9.076 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.224 -0.033 -8.778 1.00 0.00 C ATOM 0 H PHE A 99 10.699 0.365 -5.662 1.00 0.00 H new ATOM 0 HA PHE A 99 8.053 -0.792 -5.182 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.775 -0.212 -7.447 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.372 -1.917 -7.443 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.548 1.282 -6.724 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.559 -2.460 -8.759 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.354 1.806 -7.696 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.366 -1.937 -9.738 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.260 0.198 -9.207 1.00 0.00 H new ATOM 1553 N LEU A 100 8.878 -2.837 -4.058 1.00 0.00 N ATOM 1554 CA LEU A 100 9.251 -4.123 -3.488 1.00 0.00 C ATOM 1555 C LEU A 100 9.268 -5.201 -4.569 1.00 0.00 C ATOM 1556 O LEU A 100 8.679 -5.029 -5.637 1.00 0.00 O ATOM 1557 CB LEU A 100 8.269 -4.496 -2.378 1.00 0.00 C ATOM 1558 CG LEU A 100 8.729 -5.606 -1.434 1.00 0.00 C ATOM 1559 CD1 LEU A 100 10.160 -5.371 -0.972 1.00 0.00 C ATOM 1560 CD2 LEU A 100 7.792 -5.688 -0.242 1.00 0.00 C ATOM 0 H LEU A 100 8.053 -2.412 -3.635 1.00 0.00 H new ATOM 0 HA LEU A 100 10.253 -4.048 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.061 -3.604 -1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.328 -4.801 -2.837 1.00 0.00 H new ATOM 0 HG LEU A 100 8.704 -6.553 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.463 -6.175 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.823 -5.351 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.221 -4.418 -0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.124 -6.481 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.797 -4.737 0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.781 -5.905 -0.588 1.00 0.00 H new ATOM 1572 N GLU A 101 9.952 -6.307 -4.294 1.00 0.00 N ATOM 1573 CA GLU A 101 10.048 -7.404 -5.251 1.00 0.00 C ATOM 1574 C GLU A 101 8.656 -7.929 -5.629 1.00 0.00 C ATOM 1575 O GLU A 101 7.909 -7.256 -6.338 1.00 0.00 O ATOM 1576 CB GLU A 101 10.923 -8.526 -4.682 1.00 0.00 C ATOM 1577 CG GLU A 101 12.403 -8.184 -4.644 1.00 0.00 C ATOM 1578 CD GLU A 101 13.287 -9.409 -4.768 1.00 0.00 C ATOM 1579 OE1 GLU A 101 13.049 -10.222 -5.685 1.00 0.00 O ATOM 1580 OE2 GLU A 101 14.218 -9.555 -3.948 1.00 0.00 O ATOM 0 H GLU A 101 10.448 -6.467 -3.417 1.00 0.00 H new ATOM 0 HA GLU A 101 10.516 -7.028 -6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.587 -8.761 -3.672 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.782 -9.425 -5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.633 -7.491 -5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.630 -7.670 -3.710 1.00 0.00 H new ATOM 1587 N LYS A 102 8.309 -9.128 -5.156 1.00 0.00 N ATOM 1588 CA LYS A 102 7.009 -9.720 -5.454 1.00 0.00 C ATOM 1589 C LYS A 102 6.862 -11.078 -4.770 1.00 0.00 C ATOM 1590 O LYS A 102 6.540 -12.077 -5.415 1.00 0.00 O ATOM 1591 CB LYS A 102 6.823 -9.872 -6.966 1.00 0.00 C ATOM 1592 CG LYS A 102 7.821 -10.822 -7.609 1.00 0.00 C ATOM 1593 CD LYS A 102 7.138 -12.059 -8.177 1.00 0.00 C ATOM 1594 CE LYS A 102 7.565 -12.325 -9.612 1.00 0.00 C ATOM 1595 NZ LYS A 102 9.045 -12.404 -9.748 1.00 0.00 N ATOM 0 H LYS A 102 8.910 -9.704 -4.567 1.00 0.00 H new ATOM 0 HA LYS A 102 6.238 -9.053 -5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.813 -10.230 -7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.912 -8.892 -7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.355 -10.304 -8.405 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.564 -11.124 -6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.378 -12.924 -7.559 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.057 -11.929 -8.137 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.119 -13.258 -9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.184 -11.533 -10.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.287 -13.007 -10.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.431 -11.450 -9.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.452 -12.811 -8.882 1.00 0.00 H new ATOM 1609 N PRO A 103 7.098 -11.134 -3.449 1.00 0.00 N ATOM 1610 CA PRO A 103 6.992 -12.376 -2.676 1.00 0.00 C ATOM 1611 C PRO A 103 5.613 -13.016 -2.798 1.00 0.00 C ATOM 1612 O PRO A 103 4.640 -12.355 -3.160 1.00 0.00 O ATOM 1613 CB PRO A 103 7.251 -11.934 -1.228 1.00 0.00 C ATOM 1614 CG PRO A 103 7.079 -10.452 -1.232 1.00 0.00 C ATOM 1615 CD PRO A 103 7.483 -9.995 -2.601 1.00 0.00 C ATOM 0 HA PRO A 103 7.693 -13.132 -3.031 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.551 -12.409 -0.541 1.00 0.00 H new ATOM 0 HB3 PRO A 103 8.254 -12.213 -0.905 1.00 0.00 H new ATOM 0 HG2 PRO A 103 6.046 -10.178 -1.018 1.00 0.00 H new ATOM 0 HG3 PRO A 103 7.698 -9.985 -0.466 1.00 0.00 H new ATOM 0 HD2 PRO A 103 6.966 -9.081 -2.892 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.552 -9.789 -2.660 1.00 0.00 H new ATOM 1623 N PHE A 104 5.538 -14.308 -2.495 1.00 0.00 N ATOM 1624 CA PHE A 104 4.280 -15.041 -2.572 1.00 0.00 C ATOM 1625 C PHE A 104 3.429 -14.796 -1.329 1.00 0.00 C ATOM 1626 O PHE A 104 2.265 -14.409 -1.429 1.00 0.00 O ATOM 1627 CB PHE A 104 4.547 -16.539 -2.733 1.00 0.00 C ATOM 1628 CG PHE A 104 3.689 -17.194 -3.778 1.00 0.00 C ATOM 1629 CD1 PHE A 104 2.366 -17.507 -3.510 1.00 0.00 C ATOM 1630 CD2 PHE A 104 4.206 -17.498 -5.027 1.00 0.00 C ATOM 1631 CE1 PHE A 104 1.573 -18.109 -4.468 1.00 0.00 C ATOM 1632 CE2 PHE A 104 3.418 -18.100 -5.990 1.00 0.00 C ATOM 1633 CZ PHE A 104 2.101 -18.407 -5.710 1.00 0.00 C ATOM 0 H PHE A 104 6.335 -14.869 -2.194 1.00 0.00 H new ATOM 0 HA PHE A 104 3.732 -14.680 -3.442 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.596 -16.687 -2.991 1.00 0.00 H new ATOM 0 HB3 PHE A 104 4.381 -17.034 -1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.950 -17.278 -2.540 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.236 -17.262 -5.251 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.543 -18.346 -4.247 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.832 -18.330 -6.961 1.00 0.00 H new ATOM 0 HZ PHE A 104 1.485 -18.879 -6.461 1.00 0.00 H new ATOM 1643 N SER A 105 4.018 -15.023 -0.159 1.00 0.00 N ATOM 1644 CA SER A 105 3.311 -14.827 1.103 1.00 0.00 C ATOM 1645 C SER A 105 3.607 -13.451 1.699 1.00 0.00 C ATOM 1646 O SER A 105 3.201 -13.159 2.822 1.00 0.00 O ATOM 1647 CB SER A 105 3.698 -15.920 2.100 1.00 0.00 C ATOM 1648 OG SER A 105 3.131 -15.670 3.375 1.00 0.00 O ATOM 0 H SER A 105 4.981 -15.342 -0.058 1.00 0.00 H new ATOM 0 HA SER A 105 2.242 -14.886 0.899 1.00 0.00 H new ATOM 0 HB2 SER A 105 3.360 -16.889 1.732 1.00 0.00 H new ATOM 0 HB3 SER A 105 4.783 -15.972 2.185 1.00 0.00 H new ATOM 0 HG SER A 105 2.738 -14.772 3.388 1.00 0.00 H new ATOM 1654 N VAL A 106 4.315 -12.613 0.943 1.00 0.00 N ATOM 1655 CA VAL A 106 4.665 -11.266 1.392 1.00 0.00 C ATOM 1656 C VAL A 106 5.527 -11.290 2.657 1.00 0.00 C ATOM 1657 O VAL A 106 5.715 -10.260 3.304 1.00 0.00 O ATOM 1658 CB VAL A 106 3.401 -10.389 1.613 1.00 0.00 C ATOM 1659 CG1 VAL A 106 2.328 -10.731 0.589 1.00 0.00 C ATOM 1660 CG2 VAL A 106 2.844 -10.525 3.027 1.00 0.00 C ATOM 0 H VAL A 106 4.659 -12.845 0.011 1.00 0.00 H new ATOM 0 HA VAL A 106 5.256 -10.816 0.594 1.00 0.00 H new ATOM 0 HB VAL A 106 3.705 -9.351 1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.451 -10.107 0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.712 -10.550 -0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.052 -11.781 0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.962 -9.894 3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.571 -11.564 3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.601 -10.215 3.748 1.00 0.00 H new ATOM 1670 N GLU A 107 6.052 -12.463 3.013 1.00 0.00 N ATOM 1671 CA GLU A 107 6.890 -12.590 4.201 1.00 0.00 C ATOM 1672 C GLU A 107 7.971 -11.514 4.213 1.00 0.00 C ATOM 1673 O GLU A 107 8.199 -10.858 5.229 1.00 0.00 O ATOM 1674 CB GLU A 107 7.528 -13.975 4.256 1.00 0.00 C ATOM 1675 CG GLU A 107 7.974 -14.384 5.649 1.00 0.00 C ATOM 1676 CD GLU A 107 9.350 -15.020 5.660 1.00 0.00 C ATOM 1677 OE1 GLU A 107 9.436 -16.253 5.483 1.00 0.00 O ATOM 1678 OE2 GLU A 107 10.343 -14.285 5.846 1.00 0.00 O ATOM 0 H GLU A 107 5.912 -13.332 2.498 1.00 0.00 H new ATOM 0 HA GLU A 107 6.259 -12.458 5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.815 -14.709 3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.388 -13.996 3.587 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.978 -13.507 6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.251 -15.085 6.066 1.00 0.00 H new ATOM 1685 N ARG A 108 8.622 -11.327 3.068 1.00 0.00 N ATOM 1686 CA ARG A 108 9.663 -10.315 2.941 1.00 0.00 C ATOM 1687 C ARG A 108 9.052 -8.927 3.071 1.00 0.00 C ATOM 1688 O ARG A 108 9.649 -8.021 3.653 1.00 0.00 O ATOM 1689 CB ARG A 108 10.382 -10.451 1.598 1.00 0.00 C ATOM 1690 CG ARG A 108 11.824 -9.970 1.627 1.00 0.00 C ATOM 1691 CD ARG A 108 12.744 -11.002 2.260 1.00 0.00 C ATOM 1692 NE ARG A 108 14.147 -10.759 1.932 1.00 0.00 N ATOM 1693 CZ ARG A 108 14.884 -9.800 2.488 1.00 0.00 C ATOM 1694 NH1 ARG A 108 14.355 -8.991 3.399 1.00 0.00 N ATOM 1695 NH2 ARG A 108 16.152 -9.650 2.134 1.00 0.00 N ATOM 0 H ARG A 108 8.447 -11.862 2.218 1.00 0.00 H new ATOM 0 HA ARG A 108 10.392 -10.460 3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.363 -11.496 1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.835 -9.886 0.844 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.158 -9.758 0.611 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.886 -9.036 2.185 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.617 -10.986 3.342 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.460 -11.998 1.921 1.00 0.00 H new ATOM 0 HE ARG A 108 14.588 -11.360 1.236 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.380 -9.103 3.676 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.924 -8.258 3.822 1.00 0.00 H new ATOM 0 HH21 ARG A 108 16.563 -10.269 1.436 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.717 -8.915 2.560 1.00 0.00 H new ATOM 1709 N PHE A 109 7.846 -8.776 2.531 1.00 0.00 N ATOM 1710 CA PHE A 109 7.126 -7.509 2.588 1.00 0.00 C ATOM 1711 C PHE A 109 6.891 -7.099 4.042 1.00 0.00 C ATOM 1712 O PHE A 109 6.783 -5.913 4.354 1.00 0.00 O ATOM 1713 CB PHE A 109 5.790 -7.633 1.843 1.00 0.00 C ATOM 1714 CG PHE A 109 4.821 -6.519 2.136 1.00 0.00 C ATOM 1715 CD1 PHE A 109 5.229 -5.198 2.085 1.00 0.00 C ATOM 1716 CD2 PHE A 109 3.502 -6.797 2.468 1.00 0.00 C ATOM 1717 CE1 PHE A 109 4.343 -4.172 2.356 1.00 0.00 C ATOM 1718 CE2 PHE A 109 2.612 -5.776 2.740 1.00 0.00 C ATOM 1719 CZ PHE A 109 3.034 -4.463 2.684 1.00 0.00 C ATOM 0 H PHE A 109 7.345 -9.521 2.046 1.00 0.00 H new ATOM 0 HA PHE A 109 7.726 -6.738 2.105 1.00 0.00 H new ATOM 0 HB2 PHE A 109 5.984 -7.659 0.771 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.326 -8.583 2.106 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.252 -4.965 1.830 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.168 -7.823 2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.674 -3.145 2.311 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.588 -6.005 2.996 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.340 -3.663 2.897 1.00 0.00 H new ATOM 1729 N LEU A 110 6.813 -8.092 4.922 1.00 0.00 N ATOM 1730 CA LEU A 110 6.591 -7.848 6.341 1.00 0.00 C ATOM 1731 C LEU A 110 7.703 -6.996 6.938 1.00 0.00 C ATOM 1732 O LEU A 110 7.446 -6.065 7.702 1.00 0.00 O ATOM 1733 CB LEU A 110 6.498 -9.168 7.089 1.00 0.00 C ATOM 1734 CG LEU A 110 5.363 -9.244 8.108 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.278 -10.639 8.697 1.00 0.00 C ATOM 1736 CD2 LEU A 110 5.558 -8.205 9.205 1.00 0.00 C ATOM 0 H LEU A 110 6.901 -9.078 4.675 1.00 0.00 H new ATOM 0 HA LEU A 110 5.652 -7.304 6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.372 -9.973 6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.442 -9.346 7.603 1.00 0.00 H new ATOM 0 HG LEU A 110 4.424 -9.027 7.600 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.465 -10.679 9.422 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.090 -11.359 7.901 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.218 -10.883 9.192 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.740 -8.274 9.922 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.504 -8.388 9.715 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.571 -7.208 8.764 1.00 0.00 H new ATOM 1748 N LEU A 111 8.942 -7.326 6.589 1.00 0.00 N ATOM 1749 CA LEU A 111 10.100 -6.597 7.093 1.00 0.00 C ATOM 1750 C LEU A 111 9.970 -5.107 6.813 1.00 0.00 C ATOM 1751 O LEU A 111 10.027 -4.285 7.728 1.00 0.00 O ATOM 1752 CB LEU A 111 11.383 -7.138 6.463 1.00 0.00 C ATOM 1753 CG LEU A 111 11.802 -8.530 6.938 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.030 -9.605 6.188 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.301 -8.724 6.759 1.00 0.00 C ATOM 0 H LEU A 111 9.170 -8.095 5.958 1.00 0.00 H new ATOM 0 HA LEU A 111 10.146 -6.741 8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.255 -7.164 5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.194 -6.440 6.672 1.00 0.00 H new ATOM 0 HG LEU A 111 11.568 -8.618 7.999 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.341 -10.589 6.539 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.962 -9.477 6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.232 -9.520 5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.583 -9.720 7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.558 -8.617 5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.837 -7.975 7.342 1.00 0.00 H new ATOM 1767 N THR A 112 9.800 -4.761 5.542 1.00 0.00 N ATOM 1768 CA THR A 112 9.667 -3.366 5.136 1.00 0.00 C ATOM 1769 C THR A 112 8.592 -2.650 5.951 1.00 0.00 C ATOM 1770 O THR A 112 8.873 -1.654 6.617 1.00 0.00 O ATOM 1771 CB THR A 112 9.333 -3.284 3.644 1.00 0.00 C ATOM 1772 OG1 THR A 112 10.352 -3.893 2.869 1.00 0.00 O ATOM 1773 CG2 THR A 112 9.164 -1.865 3.143 1.00 0.00 C ATOM 0 H THR A 112 9.751 -5.429 4.773 1.00 0.00 H new ATOM 0 HA THR A 112 10.619 -2.869 5.322 1.00 0.00 H new ATOM 0 HB THR A 112 8.383 -3.807 3.532 1.00 0.00 H new ATOM 0 HG1 THR A 112 10.120 -3.833 1.919 1.00 0.00 H new ATOM 0 HG21 THR A 112 8.929 -1.880 2.079 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.353 -1.381 3.687 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.089 -1.310 3.302 1.00 0.00 H new ATOM 1781 N ILE A 113 7.360 -3.158 5.874 1.00 0.00 N ATOM 1782 CA ILE A 113 6.220 -2.573 6.586 1.00 0.00 C ATOM 1783 C ILE A 113 6.643 -1.918 7.894 1.00 0.00 C ATOM 1784 O ILE A 113 6.541 -0.701 8.046 1.00 0.00 O ATOM 1785 CB ILE A 113 5.131 -3.636 6.861 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.349 -3.932 5.581 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.186 -3.183 7.967 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.570 -2.742 5.063 1.00 0.00 C ATOM 0 H ILE A 113 7.124 -3.981 5.320 1.00 0.00 H new ATOM 0 HA ILE A 113 5.807 -1.801 5.937 1.00 0.00 H new ATOM 0 HB ILE A 113 5.624 -4.549 7.195 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.043 -4.266 4.810 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.659 -4.755 5.768 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.431 -3.951 8.138 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.751 -3.019 8.884 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.698 -2.254 7.671 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.039 -3.023 4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.852 -2.421 5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.257 -1.925 4.844 1.00 0.00 H new ATOM 1800 N LYS A 114 7.135 -2.720 8.829 1.00 0.00 N ATOM 1801 CA LYS A 114 7.591 -2.187 10.108 1.00 0.00 C ATOM 1802 C LYS A 114 8.520 -1.008 9.854 1.00 0.00 C ATOM 1803 O LYS A 114 8.269 0.112 10.298 1.00 0.00 O ATOM 1804 CB LYS A 114 8.311 -3.266 10.915 1.00 0.00 C ATOM 1805 CG LYS A 114 8.553 -2.883 12.365 1.00 0.00 C ATOM 1806 CD LYS A 114 9.839 -2.087 12.526 1.00 0.00 C ATOM 1807 CE LYS A 114 9.630 -0.861 13.401 1.00 0.00 C ATOM 1808 NZ LYS A 114 9.206 -1.227 14.780 1.00 0.00 N ATOM 0 H LYS A 114 7.228 -3.731 8.729 1.00 0.00 H new ATOM 0 HA LYS A 114 6.729 -1.854 10.686 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.724 -4.184 10.884 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.268 -3.484 10.441 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.712 -2.295 12.732 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.603 -3.784 12.977 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.608 -2.722 12.965 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.202 -1.778 11.546 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.555 -0.286 13.447 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.876 -0.217 12.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 9.173 -0.372 15.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 8.262 -1.663 14.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 9.886 -1.902 15.185 1.00 0.00 H new ATOM 1822 N HIS A 115 9.588 -1.280 9.113 1.00 0.00 N ATOM 1823 CA HIS A 115 10.563 -0.257 8.763 1.00 0.00 C ATOM 1824 C HIS A 115 9.874 0.956 8.137 1.00 0.00 C ATOM 1825 O HIS A 115 10.374 2.078 8.228 1.00 0.00 O ATOM 1826 CB HIS A 115 11.604 -0.823 7.804 1.00 0.00 C ATOM 1827 CG HIS A 115 12.969 -0.947 8.408 1.00 0.00 C ATOM 1828 ND1 HIS A 115 13.240 -1.746 9.498 1.00 0.00 N ATOM 1829 CD2 HIS A 115 14.145 -0.368 8.067 1.00 0.00 C ATOM 1830 CE1 HIS A 115 14.522 -1.652 9.803 1.00 0.00 C ATOM 1831 NE2 HIS A 115 15.093 -0.823 8.949 1.00 0.00 N ATOM 0 H HIS A 115 9.800 -2.206 8.742 1.00 0.00 H new ATOM 0 HA HIS A 115 11.064 0.064 9.676 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.276 -1.805 7.463 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.662 -0.183 6.924 1.00 0.00 H new ATOM 0 HD2 HIS A 115 14.307 0.323 7.253 1.00 0.00 H new ATOM 0 HE1 HIS A 115 15.018 -2.166 10.613 1.00 0.00 H new ATOM 0 HE2 HIS A 115 16.079 -0.563 8.945 1.00 0.00 H new ATOM 1840 N ALA A 116 8.721 0.727 7.504 1.00 0.00 N ATOM 1841 CA ALA A 116 7.973 1.808 6.873 1.00 0.00 C ATOM 1842 C ALA A 116 7.297 2.686 7.921 1.00 0.00 C ATOM 1843 O ALA A 116 7.206 3.903 7.763 1.00 0.00 O ATOM 1844 CB ALA A 116 6.944 1.243 5.905 1.00 0.00 C ATOM 0 H ALA A 116 8.290 -0.193 7.417 1.00 0.00 H new ATOM 0 HA ALA A 116 8.674 2.428 6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.393 2.061 5.441 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.450 0.663 5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.250 0.599 6.446 1.00 0.00 H new ATOM 1850 N PHE A 117 6.824 2.059 8.994 1.00 0.00 N ATOM 1851 CA PHE A 117 6.156 2.781 10.073 1.00 0.00 C ATOM 1852 C PHE A 117 7.129 3.700 10.810 1.00 0.00 C ATOM 1853 O PHE A 117 6.713 4.583 11.559 1.00 0.00 O ATOM 1854 CB PHE A 117 5.524 1.795 11.057 1.00 0.00 C ATOM 1855 CG PHE A 117 4.161 1.322 10.638 1.00 0.00 C ATOM 1856 CD1 PHE A 117 4.017 0.197 9.844 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.023 2.006 11.038 1.00 0.00 C ATOM 1858 CE1 PHE A 117 2.765 -0.239 9.458 1.00 0.00 C ATOM 1859 CE2 PHE A 117 1.769 1.574 10.655 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.639 0.450 9.864 1.00 0.00 C ATOM 0 H PHE A 117 6.891 1.052 9.140 1.00 0.00 H new ATOM 0 HA PHE A 117 5.374 3.398 9.629 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.181 0.932 11.168 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.451 2.268 12.036 1.00 0.00 H new ATOM 0 HD1 PHE A 117 4.894 -0.346 9.523 1.00 0.00 H new ATOM 0 HD2 PHE A 117 3.119 2.886 11.656 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.666 -1.118 8.839 1.00 0.00 H new ATOM 0 HE2 PHE A 117 0.890 2.115 10.974 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.659 0.110 9.563 1.00 0.00 H new ATOM 1870 N GLU A 118 8.426 3.488 10.594 1.00 0.00 N ATOM 1871 CA GLU A 118 9.453 4.298 11.239 1.00 0.00 C ATOM 1872 C GLU A 118 9.278 5.781 10.919 1.00 0.00 C ATOM 1873 O GLU A 118 9.791 6.643 11.633 1.00 0.00 O ATOM 1874 CB GLU A 118 10.839 3.834 10.806 1.00 0.00 C ATOM 1875 CG GLU A 118 11.899 3.994 11.883 1.00 0.00 C ATOM 1876 CD GLU A 118 13.258 3.483 11.444 1.00 0.00 C ATOM 1877 OE1 GLU A 118 13.633 3.722 10.277 1.00 0.00 O ATOM 1878 OE2 GLU A 118 13.946 2.846 12.268 1.00 0.00 O ATOM 0 H GLU A 118 8.789 2.761 9.977 1.00 0.00 H new ATOM 0 HA GLU A 118 9.349 4.170 12.316 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.787 2.786 10.513 1.00 0.00 H new ATOM 0 HB3 GLU A 118 11.142 4.397 9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 118 11.981 5.047 12.154 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.585 3.458 12.779 1.00 0.00 H new ATOM 1885 N GLU A 119 8.554 6.076 9.842 1.00 0.00 N ATOM 1886 CA GLU A 119 8.319 7.456 9.433 1.00 0.00 C ATOM 1887 C GLU A 119 7.030 7.997 10.047 1.00 0.00 C ATOM 1888 O GLU A 119 6.233 8.648 9.370 1.00 0.00 O ATOM 1889 CB GLU A 119 8.252 7.552 7.908 1.00 0.00 C ATOM 1890 CG GLU A 119 9.409 6.862 7.203 1.00 0.00 C ATOM 1891 CD GLU A 119 9.508 7.240 5.739 1.00 0.00 C ATOM 1892 OE1 GLU A 119 10.084 8.308 5.439 1.00 0.00 O ATOM 1893 OE2 GLU A 119 9.010 6.470 4.891 1.00 0.00 O ATOM 0 H GLU A 119 8.121 5.378 9.238 1.00 0.00 H new ATOM 0 HA GLU A 119 9.151 8.062 9.793 1.00 0.00 H new ATOM 0 HB2 GLU A 119 7.315 7.113 7.566 1.00 0.00 H new ATOM 0 HB3 GLU A 119 8.236 8.603 7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.341 7.120 7.705 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.290 5.782 7.288 1.00 0.00 H new ATOM 1900 N TYR A 120 6.834 7.727 11.332 1.00 0.00 N ATOM 1901 CA TYR A 120 5.646 8.189 12.040 1.00 0.00 C ATOM 1902 C TYR A 120 5.997 8.653 13.452 1.00 0.00 C ATOM 1903 O TYR A 120 5.119 8.791 14.305 1.00 0.00 O ATOM 1904 CB TYR A 120 4.599 7.075 12.103 1.00 0.00 C ATOM 1905 CG TYR A 120 3.200 7.572 12.388 1.00 0.00 C ATOM 1906 CD1 TYR A 120 2.365 7.986 11.358 1.00 0.00 C ATOM 1907 CD2 TYR A 120 2.714 7.627 13.689 1.00 0.00 C ATOM 1908 CE1 TYR A 120 1.086 8.441 11.616 1.00 0.00 C ATOM 1909 CE2 TYR A 120 1.436 8.081 13.955 1.00 0.00 C ATOM 1910 CZ TYR A 120 0.627 8.487 12.914 1.00 0.00 C ATOM 1911 OH TYR A 120 -0.647 8.939 13.174 1.00 0.00 O ATOM 0 H TYR A 120 7.484 7.190 11.906 1.00 0.00 H new ATOM 0 HA TYR A 120 5.234 9.036 11.491 1.00 0.00 H new ATOM 0 HB2 TYR A 120 4.598 6.536 11.156 1.00 0.00 H new ATOM 0 HB3 TYR A 120 4.886 6.362 12.876 1.00 0.00 H new ATOM 0 HD1 TYR A 120 2.721 7.952 10.339 1.00 0.00 H new ATOM 0 HD2 TYR A 120 3.346 7.310 14.506 1.00 0.00 H new ATOM 0 HE1 TYR A 120 0.449 8.759 10.804 1.00 0.00 H new ATOM 0 HE2 TYR A 120 1.073 8.118 14.971 1.00 0.00 H new ATOM 0 HH TYR A 120 -0.815 8.907 14.139 1.00 0.00 H new ATOM 1921 N SER A 121 7.283 8.893 13.694 1.00 0.00 N ATOM 1922 CA SER A 121 7.743 9.341 15.003 1.00 0.00 C ATOM 1923 C SER A 121 8.206 10.794 14.950 1.00 0.00 C ATOM 1924 O SER A 121 8.681 11.266 13.916 1.00 0.00 O ATOM 1925 CB SER A 121 8.883 8.449 15.499 1.00 0.00 C ATOM 1926 OG SER A 121 8.393 7.404 16.321 1.00 0.00 O ATOM 0 H SER A 121 8.023 8.785 13.001 1.00 0.00 H new ATOM 0 HA SER A 121 6.906 9.270 15.698 1.00 0.00 H new ATOM 0 HB2 SER A 121 9.415 8.026 14.647 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.601 9.049 16.058 1.00 0.00 H new ATOM 0 HG SER A 121 9.141 6.848 16.623 1.00 0.00 H new TER 1932 SER A 121