USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 714 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 79 THR OG1 : rot 5:sc= 0.855 USER MOD Set 1.2: A 82 THR OG1 : rot 87:sc= 1.49 USER MOD Set 2.1: A 39 CYS SG : rot -150:sc= -0.582 USER MOD Set 2.2: A 45 CYS SG : rot -130:sc= 1.03 USER MOD Set 2.3: A 47 THR OG1 : rot -63:sc= 1.39 USER MOD Set 3.1: A 43 CYS SG : rot -24:sc=-0.00649 USER MOD Set 3.2: A 48 CYS SG : rot -170:sc= 0.0429 USER MOD Set 3.3: A 86 CYS SG : rot 179:sc= 0.0953 USER MOD Set 4.1: A 18 GLN : amide:sc= -4.07! C(o=-15!,f=-14!) USER MOD Set 4.2: A 21 GLN : amide:sc= -11.2! C(o=-15!,f=-16!) USER MOD Single : A 9 GLN : amide:sc= -1.27 K(o=-1.3,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -150:sc= -1.04 USER MOD Single : A 22 SER OG : rot -129:sc= -0.657! USER MOD Single : A 24 MET CE :methyl 166:sc= -7.41! (180deg=-8.38!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 30 ASN : amide:sc= -30.4! C(o=-30!,f=-31!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.143! C(o=-0.14!,f=-5.5!) USER MOD Single : A 68 ASN : amide:sc=-0.00217 X(o=-0.0022,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 73 SER OG : rot -27:sc= 0.0705 USER MOD Single : A 74 THR OG1 : rot -41:sc= 0.957 USER MOD Single : A 78 MET CE :methyl 164:sc=-0.00168 (180deg=-0.186) USER MOD Single : A 85 SER OG : rot 180:sc= -2.55! USER MOD Single : A 87 GLN : amide:sc= -1.17 K(o=-1.2,f=-3.9!) USER MOD Single : A 93 SER OG : rot -86:sc= 0.76 USER MOD Single : A 94 MET CE :methyl -163:sc= -11.7! (180deg=-13.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.912 13.645 -5.076 1.00 0.00 N ATOM 2 CA PRO A 1 4.348 13.761 -3.653 1.00 0.00 C ATOM 3 C PRO A 1 5.639 13.037 -3.367 1.00 0.00 C ATOM 4 O PRO A 1 6.404 12.693 -4.264 1.00 0.00 O ATOM 5 CB PRO A 1 3.256 13.129 -2.818 1.00 0.00 C ATOM 6 CG PRO A 1 2.085 13.237 -3.687 1.00 0.00 C ATOM 7 CD PRO A 1 2.630 12.905 -5.044 1.00 0.00 C ATOM 0 H2 PRO A 1 4.608 13.149 -5.633 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.793 14.566 -5.499 1.00 0.00 H new ATOM 0 HA PRO A 1 4.518 14.813 -3.425 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.483 12.092 -2.572 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.111 13.656 -1.875 1.00 0.00 H new ATOM 0 HG2 PRO A 1 1.298 12.544 -3.389 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.655 14.238 -3.660 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.780 11.832 -5.168 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.958 13.227 -5.839 1.00 0.00 H new ATOM 17 N ARG A 2 5.829 12.785 -2.084 1.00 0.00 N ATOM 18 CA ARG A 2 6.991 12.057 -1.591 1.00 0.00 C ATOM 19 C ARG A 2 6.487 10.771 -0.964 1.00 0.00 C ATOM 20 O ARG A 2 5.305 10.683 -0.631 1.00 0.00 O ATOM 21 CB ARG A 2 7.763 12.908 -0.571 1.00 0.00 C ATOM 22 CG ARG A 2 8.401 12.118 0.566 1.00 0.00 C ATOM 23 CD ARG A 2 9.706 11.469 0.137 1.00 0.00 C ATOM 24 NE ARG A 2 10.780 11.729 1.093 1.00 0.00 N ATOM 25 CZ ARG A 2 11.929 11.062 1.109 1.00 0.00 C ATOM 26 NH1 ARG A 2 12.154 10.102 0.224 1.00 0.00 N ATOM 27 NH2 ARG A 2 12.855 11.356 2.012 1.00 0.00 N ATOM 0 H ARG A 2 5.183 13.079 -1.351 1.00 0.00 H new ATOM 0 HA ARG A 2 7.681 11.831 -2.404 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.544 13.459 -1.095 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.083 13.646 -0.145 1.00 0.00 H new ATOM 0 HG2 ARG A 2 8.585 12.781 1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 2 7.708 11.350 0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 2 9.561 10.393 0.036 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.994 11.845 -0.845 1.00 0.00 H new ATOM 0 HE ARG A 2 10.640 12.463 1.787 1.00 0.00 H new ATOM 0 HH11 ARG A 2 11.444 9.873 -0.472 1.00 0.00 H new ATOM 0 HH12 ARG A 2 13.037 9.592 0.239 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.685 12.095 2.695 1.00 0.00 H new ATOM 0 HH22 ARG A 2 13.737 10.844 2.024 1.00 0.00 H new ATOM 41 N VAL A 3 7.320 9.749 -0.824 1.00 0.00 N ATOM 42 CA VAL A 3 6.814 8.532 -0.261 1.00 0.00 C ATOM 43 C VAL A 3 7.901 7.700 0.388 1.00 0.00 C ATOM 44 O VAL A 3 9.091 7.968 0.243 1.00 0.00 O ATOM 45 CB VAL A 3 6.076 7.749 -1.361 1.00 0.00 C ATOM 46 CG1 VAL A 3 6.236 6.266 -1.255 1.00 0.00 C ATOM 47 CG2 VAL A 3 4.621 8.048 -1.318 1.00 0.00 C ATOM 0 H VAL A 3 8.306 9.746 -1.084 1.00 0.00 H new ATOM 0 HA VAL A 3 6.117 8.778 0.540 1.00 0.00 H new ATOM 0 HB VAL A 3 6.528 8.073 -2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.688 5.782 -2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.293 6.008 -1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.844 5.925 -0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.111 7.487 -2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.219 7.761 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.464 9.115 -1.475 1.00 0.00 H new ATOM 57 N VAL A 4 7.480 6.673 1.101 1.00 0.00 N ATOM 58 CA VAL A 4 8.433 5.795 1.750 1.00 0.00 C ATOM 59 C VAL A 4 7.875 4.406 1.946 1.00 0.00 C ATOM 60 O VAL A 4 7.020 4.176 2.781 1.00 0.00 O ATOM 61 CB VAL A 4 8.942 6.362 3.085 1.00 0.00 C ATOM 62 CG1 VAL A 4 9.573 5.265 3.930 1.00 0.00 C ATOM 63 CG2 VAL A 4 9.946 7.458 2.805 1.00 0.00 C ATOM 0 H VAL A 4 6.500 6.429 1.244 1.00 0.00 H new ATOM 0 HA VAL A 4 9.286 5.728 1.075 1.00 0.00 H new ATOM 0 HB VAL A 4 8.102 6.772 3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.927 5.688 4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.832 4.492 4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.413 4.828 3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.312 7.866 3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.782 7.049 2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.469 8.250 2.228 1.00 0.00 H new ATOM 73 N PHE A 5 8.407 3.485 1.172 1.00 0.00 N ATOM 74 CA PHE A 5 8.004 2.090 1.229 1.00 0.00 C ATOM 75 C PHE A 5 8.933 1.316 2.153 1.00 0.00 C ATOM 76 O PHE A 5 9.932 1.848 2.635 1.00 0.00 O ATOM 77 CB PHE A 5 8.100 1.461 -0.151 1.00 0.00 C ATOM 78 CG PHE A 5 7.054 1.859 -1.153 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.442 3.116 -1.156 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.714 0.960 -2.148 1.00 0.00 C ATOM 81 CE1 PHE A 5 5.521 3.437 -2.133 1.00 0.00 C ATOM 82 CE2 PHE A 5 5.808 1.275 -3.115 1.00 0.00 C ATOM 83 CZ PHE A 5 5.208 2.513 -3.119 1.00 0.00 C ATOM 0 H PHE A 5 9.133 3.679 0.483 1.00 0.00 H new ATOM 0 HA PHE A 5 6.978 2.050 1.596 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.078 1.703 -0.567 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.063 0.378 -0.034 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.690 3.838 -0.392 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.178 -0.015 -2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.045 4.406 -2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.561 0.553 -3.879 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.494 2.765 -3.889 1.00 0.00 H new ATOM 93 N ILE A 6 8.606 0.052 2.377 1.00 0.00 N ATOM 94 CA ILE A 6 9.395 -0.817 3.216 1.00 0.00 C ATOM 95 C ILE A 6 9.240 -2.270 2.792 1.00 0.00 C ATOM 96 O ILE A 6 8.289 -2.623 2.094 1.00 0.00 O ATOM 97 CB ILE A 6 8.973 -0.703 4.676 1.00 0.00 C ATOM 98 CG1 ILE A 6 8.520 0.714 4.985 1.00 0.00 C ATOM 99 CG2 ILE A 6 10.123 -1.105 5.551 1.00 0.00 C ATOM 100 CD1 ILE A 6 9.654 1.690 5.164 1.00 0.00 C ATOM 0 H ILE A 6 7.781 -0.395 1.977 1.00 0.00 H new ATOM 0 HA ILE A 6 10.434 -0.505 3.106 1.00 0.00 H new ATOM 0 HB ILE A 6 8.132 -1.369 4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.876 1.064 4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.916 0.703 5.892 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.829 -1.026 6.598 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.406 -2.134 5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.971 -0.447 5.362 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.252 2.679 5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.286 1.365 5.990 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.246 1.732 4.249 1.00 0.00 H new ATOM 112 N ASP A 7 10.163 -3.115 3.231 1.00 0.00 N ATOM 113 CA ASP A 7 10.099 -4.530 2.906 1.00 0.00 C ATOM 114 C ASP A 7 11.127 -5.329 3.687 1.00 0.00 C ATOM 115 O ASP A 7 12.034 -4.776 4.301 1.00 0.00 O ATOM 116 CB ASP A 7 10.302 -4.754 1.414 1.00 0.00 C ATOM 117 CG ASP A 7 9.678 -6.053 0.940 1.00 0.00 C ATOM 118 OD1 ASP A 7 8.492 -6.036 0.553 1.00 0.00 O ATOM 119 OD2 ASP A 7 10.377 -7.087 0.956 1.00 0.00 O ATOM 0 H ASP A 7 10.959 -2.846 3.809 1.00 0.00 H new ATOM 0 HA ASP A 7 9.106 -4.879 3.187 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.868 -3.921 0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.369 -4.763 1.191 1.00 0.00 H new ATOM 124 N GLU A 8 10.970 -6.639 3.646 1.00 0.00 N ATOM 125 CA GLU A 8 11.870 -7.550 4.340 1.00 0.00 C ATOM 126 C GLU A 8 13.134 -7.799 3.519 1.00 0.00 C ATOM 127 O GLU A 8 14.063 -8.463 3.979 1.00 0.00 O ATOM 128 CB GLU A 8 11.142 -8.868 4.636 1.00 0.00 C ATOM 129 CG GLU A 8 12.008 -10.112 4.509 1.00 0.00 C ATOM 130 CD GLU A 8 12.973 -10.269 5.668 1.00 0.00 C ATOM 131 OE1 GLU A 8 12.994 -9.382 6.547 1.00 0.00 O ATOM 132 OE2 GLU A 8 13.710 -11.278 5.695 1.00 0.00 O ATOM 0 H GLU A 8 10.220 -7.103 3.134 1.00 0.00 H new ATOM 0 HA GLU A 8 12.174 -7.095 5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.737 -8.825 5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.295 -8.960 3.957 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.368 -10.992 4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.570 -10.066 3.576 1.00 0.00 H new ATOM 139 N GLN A 9 13.164 -7.263 2.304 1.00 0.00 N ATOM 140 CA GLN A 9 14.316 -7.431 1.427 1.00 0.00 C ATOM 141 C GLN A 9 15.330 -6.314 1.651 1.00 0.00 C ATOM 142 O GLN A 9 16.539 -6.540 1.596 1.00 0.00 O ATOM 143 CB GLN A 9 13.872 -7.451 -0.036 1.00 0.00 C ATOM 144 CG GLN A 9 13.605 -8.847 -0.570 1.00 0.00 C ATOM 145 CD GLN A 9 14.838 -9.480 -1.188 1.00 0.00 C ATOM 146 OE1 GLN A 9 14.755 -10.157 -2.213 1.00 0.00 O ATOM 147 NE2 GLN A 9 15.989 -9.261 -0.565 1.00 0.00 N ATOM 0 H GLN A 9 12.406 -6.710 1.905 1.00 0.00 H new ATOM 0 HA GLN A 9 14.790 -8.383 1.665 1.00 0.00 H new ATOM 0 HB2 GLN A 9 12.968 -6.852 -0.141 1.00 0.00 H new ATOM 0 HB3 GLN A 9 14.641 -6.978 -0.647 1.00 0.00 H new ATOM 0 HG2 GLN A 9 13.244 -9.479 0.241 1.00 0.00 H new ATOM 0 HG3 GLN A 9 12.812 -8.801 -1.316 1.00 0.00 H new ATOM 0 HE21 GLN A 9 16.010 -8.693 0.282 1.00 0.00 H new ATOM 0 HE22 GLN A 9 16.852 -9.660 -0.933 1.00 0.00 H new ATOM 156 N SER A 10 14.828 -5.110 1.905 1.00 0.00 N ATOM 157 CA SER A 10 15.691 -3.957 2.137 1.00 0.00 C ATOM 158 C SER A 10 15.318 -3.237 3.432 1.00 0.00 C ATOM 159 O SER A 10 16.025 -2.327 3.870 1.00 0.00 O ATOM 160 CB SER A 10 15.606 -2.986 0.958 1.00 0.00 C ATOM 161 OG SER A 10 16.808 -2.245 0.818 1.00 0.00 O ATOM 0 H SER A 10 13.830 -4.907 1.955 1.00 0.00 H new ATOM 0 HA SER A 10 16.715 -4.319 2.231 1.00 0.00 H new ATOM 0 HB2 SER A 10 15.408 -3.540 0.040 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.769 -2.303 1.105 1.00 0.00 H new ATOM 0 HG SER A 10 16.728 -1.633 0.057 1.00 0.00 H new ATOM 167 N GLY A 11 14.208 -3.644 4.044 1.00 0.00 N ATOM 168 CA GLY A 11 13.774 -3.019 5.281 1.00 0.00 C ATOM 169 C GLY A 11 13.444 -1.552 5.109 1.00 0.00 C ATOM 170 O GLY A 11 13.370 -0.802 6.083 1.00 0.00 O ATOM 0 H GLY A 11 13.604 -4.393 3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.896 -3.543 5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.557 -3.126 6.032 1.00 0.00 H new ATOM 174 N GLU A 12 13.234 -1.151 3.866 1.00 0.00 N ATOM 175 CA GLU A 12 12.896 0.231 3.553 1.00 0.00 C ATOM 176 C GLU A 12 12.992 0.491 2.063 1.00 0.00 C ATOM 177 O GLU A 12 13.849 -0.060 1.372 1.00 0.00 O ATOM 178 CB GLU A 12 13.800 1.200 4.311 1.00 0.00 C ATOM 179 CG GLU A 12 13.906 2.569 3.654 1.00 0.00 C ATOM 180 CD GLU A 12 14.809 3.515 4.421 1.00 0.00 C ATOM 181 OE1 GLU A 12 15.032 3.275 5.626 1.00 0.00 O ATOM 182 OE2 GLU A 12 15.295 4.494 3.817 1.00 0.00 O ATOM 0 H GLU A 12 13.292 -1.764 3.053 1.00 0.00 H new ATOM 0 HA GLU A 12 11.866 0.396 3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.421 1.321 5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.797 0.767 4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.286 2.452 2.639 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.911 3.007 3.573 1.00 0.00 H new ATOM 189 N TYR A 13 12.100 1.336 1.582 1.00 0.00 N ATOM 190 CA TYR A 13 12.062 1.680 0.178 1.00 0.00 C ATOM 191 C TYR A 13 11.566 3.105 -0.023 1.00 0.00 C ATOM 192 O TYR A 13 10.554 3.338 -0.685 1.00 0.00 O ATOM 193 CB TYR A 13 11.176 0.687 -0.549 1.00 0.00 C ATOM 194 CG TYR A 13 11.827 -0.655 -0.694 1.00 0.00 C ATOM 195 CD1 TYR A 13 11.934 -1.511 0.397 1.00 0.00 C ATOM 196 CD2 TYR A 13 12.331 -1.072 -1.914 1.00 0.00 C ATOM 197 CE1 TYR A 13 12.533 -2.754 0.272 1.00 0.00 C ATOM 198 CE2 TYR A 13 12.929 -2.304 -2.055 1.00 0.00 C ATOM 199 CZ TYR A 13 13.031 -3.147 -0.959 1.00 0.00 C ATOM 200 OH TYR A 13 13.629 -4.379 -1.094 1.00 0.00 O ATOM 0 H TYR A 13 11.389 1.798 2.149 1.00 0.00 H new ATOM 0 HA TYR A 13 13.071 1.630 -0.232 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.237 0.576 -0.007 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.930 1.078 -1.536 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.544 -1.202 1.356 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.254 -0.419 -2.771 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.611 -3.410 1.126 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.317 -2.612 -3.015 1.00 0.00 H new ATOM 0 HH TYR A 13 14.312 -4.336 -1.796 1.00 0.00 H new ATOM 210 N ALA A 14 12.294 4.055 0.553 1.00 0.00 N ATOM 211 CA ALA A 14 11.943 5.464 0.440 1.00 0.00 C ATOM 212 C ALA A 14 11.726 5.836 -1.013 1.00 0.00 C ATOM 213 O ALA A 14 12.505 5.452 -1.885 1.00 0.00 O ATOM 214 CB ALA A 14 13.021 6.336 1.064 1.00 0.00 C ATOM 0 H ALA A 14 13.133 3.873 1.104 1.00 0.00 H new ATOM 0 HA ALA A 14 11.013 5.635 0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.740 7.385 0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.129 6.083 2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 14 13.968 6.166 0.552 1.00 0.00 H new ATOM 220 N VAL A 15 10.649 6.559 -1.275 1.00 0.00 N ATOM 221 CA VAL A 15 10.326 6.945 -2.631 1.00 0.00 C ATOM 222 C VAL A 15 9.432 8.164 -2.679 1.00 0.00 C ATOM 223 O VAL A 15 9.377 8.961 -1.749 1.00 0.00 O ATOM 224 CB VAL A 15 9.679 5.755 -3.369 1.00 0.00 C ATOM 225 CG1 VAL A 15 8.201 5.573 -3.041 1.00 0.00 C ATOM 226 CG2 VAL A 15 9.879 5.868 -4.867 1.00 0.00 C ATOM 0 H VAL A 15 9.990 6.887 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 15 11.253 7.219 -3.134 1.00 0.00 H new ATOM 0 HB VAL A 15 10.192 4.864 -3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.808 4.719 -3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.085 5.398 -1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.652 6.471 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.413 5.016 -5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.423 6.790 -5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.945 5.879 -5.092 1.00 0.00 H new ATOM 236 N ASP A 16 8.759 8.303 -3.788 1.00 0.00 N ATOM 237 CA ASP A 16 7.870 9.397 -4.028 1.00 0.00 C ATOM 238 C ASP A 16 6.822 8.958 -5.001 1.00 0.00 C ATOM 239 O ASP A 16 7.005 7.994 -5.735 1.00 0.00 O ATOM 240 CB ASP A 16 8.593 10.555 -4.650 1.00 0.00 C ATOM 241 CG ASP A 16 9.990 10.750 -4.096 1.00 0.00 C ATOM 242 OD1 ASP A 16 10.128 10.871 -2.861 1.00 0.00 O ATOM 243 OD2 ASP A 16 10.947 10.783 -4.898 1.00 0.00 O ATOM 0 H ASP A 16 8.817 7.643 -4.564 1.00 0.00 H new ATOM 0 HA ASP A 16 7.441 9.702 -3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.654 10.401 -5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.015 11.465 -4.490 1.00 0.00 H new ATOM 248 N ALA A 17 5.733 9.657 -5.004 1.00 0.00 N ATOM 249 CA ALA A 17 4.654 9.320 -5.883 1.00 0.00 C ATOM 250 C ALA A 17 4.028 10.554 -6.509 1.00 0.00 C ATOM 251 O ALA A 17 4.529 11.667 -6.351 1.00 0.00 O ATOM 252 CB ALA A 17 3.674 8.542 -5.066 1.00 0.00 C ATOM 0 H ALA A 17 5.565 10.467 -4.407 1.00 0.00 H new ATOM 0 HA ALA A 17 5.008 8.726 -6.726 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.826 8.257 -5.689 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.156 7.645 -4.677 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.324 9.155 -4.236 1.00 0.00 H new ATOM 258 N GLN A 18 2.933 10.349 -7.224 1.00 0.00 N ATOM 259 CA GLN A 18 2.233 11.448 -7.884 1.00 0.00 C ATOM 260 C GLN A 18 0.720 11.297 -7.745 1.00 0.00 C ATOM 261 O GLN A 18 0.175 10.212 -7.952 1.00 0.00 O ATOM 262 CB GLN A 18 2.619 11.509 -9.364 1.00 0.00 C ATOM 263 CG GLN A 18 4.121 11.525 -9.599 1.00 0.00 C ATOM 264 CD GLN A 18 4.495 11.154 -11.022 1.00 0.00 C ATOM 265 OE1 GLN A 18 4.079 11.812 -11.976 1.00 0.00 O ATOM 266 NE2 GLN A 18 5.283 10.096 -11.170 1.00 0.00 N ATOM 0 H GLN A 18 2.507 9.433 -7.364 1.00 0.00 H new ATOM 0 HA GLN A 18 2.530 12.377 -7.398 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.188 10.651 -9.879 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.180 12.402 -9.809 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.509 12.518 -9.373 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.600 10.830 -8.909 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.604 9.580 -10.350 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.568 9.799 -12.103 1.00 0.00 H new ATOM 275 N ASP A 19 0.046 12.390 -7.394 1.00 0.00 N ATOM 276 CA ASP A 19 -1.404 12.368 -7.234 1.00 0.00 C ATOM 277 C ASP A 19 -2.045 11.477 -8.283 1.00 0.00 C ATOM 278 O ASP A 19 -2.194 11.862 -9.443 1.00 0.00 O ATOM 279 CB ASP A 19 -1.976 13.782 -7.302 1.00 0.00 C ATOM 280 CG ASP A 19 -1.244 14.748 -6.393 1.00 0.00 C ATOM 281 OD1 ASP A 19 -0.164 15.235 -6.791 1.00 0.00 O ATOM 282 OD2 ASP A 19 -1.748 15.019 -5.283 1.00 0.00 O ATOM 0 H ASP A 19 0.479 13.296 -7.216 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.633 11.956 -6.251 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.923 14.143 -8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.030 13.758 -7.027 1.00 0.00 H new ATOM 287 N GLY A 20 -2.411 10.273 -7.862 1.00 0.00 N ATOM 288 CA GLY A 20 -3.021 9.322 -8.763 1.00 0.00 C ATOM 289 C GLY A 20 -2.231 8.031 -8.860 1.00 0.00 C ATOM 290 O GLY A 20 -2.652 7.094 -9.538 1.00 0.00 O ATOM 0 H GLY A 20 -2.294 9.939 -6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.033 9.101 -8.424 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.107 9.768 -9.754 1.00 0.00 H new ATOM 294 N GLN A 21 -1.085 7.970 -8.178 1.00 0.00 N ATOM 295 CA GLN A 21 -0.263 6.770 -8.202 1.00 0.00 C ATOM 296 C GLN A 21 -0.426 5.976 -6.915 1.00 0.00 C ATOM 297 O GLN A 21 -0.511 6.546 -5.826 1.00 0.00 O ATOM 298 CB GLN A 21 1.204 7.131 -8.408 1.00 0.00 C ATOM 299 CG GLN A 21 1.530 7.557 -9.827 1.00 0.00 C ATOM 300 CD GLN A 21 2.811 8.362 -9.923 1.00 0.00 C ATOM 301 OE1 GLN A 21 3.069 9.019 -10.932 1.00 0.00 O ATOM 302 NE2 GLN A 21 3.622 8.315 -8.875 1.00 0.00 N ATOM 0 H GLN A 21 -0.713 8.731 -7.610 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.595 6.152 -9.036 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.471 7.937 -7.725 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.822 6.272 -8.144 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.616 6.671 -10.456 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.704 8.149 -10.222 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.369 7.758 -8.059 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.499 8.836 -8.885 1.00 0.00 H new ATOM 311 N SER A 22 -0.469 4.658 -7.047 1.00 0.00 N ATOM 312 CA SER A 22 -0.623 3.780 -5.896 1.00 0.00 C ATOM 313 C SER A 22 0.741 3.337 -5.372 1.00 0.00 C ATOM 314 O SER A 22 1.765 3.579 -6.010 1.00 0.00 O ATOM 315 CB SER A 22 -1.450 2.552 -6.287 1.00 0.00 C ATOM 316 OG SER A 22 -0.614 1.479 -6.684 1.00 0.00 O ATOM 0 H SER A 22 -0.399 4.172 -7.941 1.00 0.00 H new ATOM 0 HA SER A 22 -1.138 4.329 -5.107 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.068 2.243 -5.444 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.127 2.810 -7.101 1.00 0.00 H new ATOM 0 HG SER A 22 -0.915 1.133 -7.550 1.00 0.00 H new ATOM 322 N LEU A 23 0.752 2.669 -4.220 1.00 0.00 N ATOM 323 CA LEU A 23 2.002 2.180 -3.642 1.00 0.00 C ATOM 324 C LEU A 23 2.487 0.952 -4.404 1.00 0.00 C ATOM 325 O LEU A 23 3.527 0.379 -4.085 1.00 0.00 O ATOM 326 CB LEU A 23 1.821 1.852 -2.147 1.00 0.00 C ATOM 327 CG LEU A 23 2.158 0.412 -1.712 1.00 0.00 C ATOM 328 CD1 LEU A 23 3.537 0.344 -1.077 1.00 0.00 C ATOM 329 CD2 LEU A 23 1.097 -0.107 -0.755 1.00 0.00 C ATOM 0 H LEU A 23 -0.082 2.455 -3.673 1.00 0.00 H new ATOM 0 HA LEU A 23 2.753 2.965 -3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.443 2.537 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.785 2.056 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 23 2.169 -0.223 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.750 -0.683 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.286 0.676 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.566 0.990 -0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.345 -1.125 -0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.058 0.533 0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.126 -0.101 -1.250 1.00 0.00 H new ATOM 341 N MET A 24 1.720 0.549 -5.405 1.00 0.00 N ATOM 342 CA MET A 24 2.060 -0.614 -6.209 1.00 0.00 C ATOM 343 C MET A 24 2.876 -0.185 -7.410 1.00 0.00 C ATOM 344 O MET A 24 3.699 -0.942 -7.925 1.00 0.00 O ATOM 345 CB MET A 24 0.790 -1.333 -6.668 1.00 0.00 C ATOM 346 CG MET A 24 1.049 -2.700 -7.277 1.00 0.00 C ATOM 347 SD MET A 24 0.151 -2.953 -8.821 1.00 0.00 S ATOM 348 CE MET A 24 1.017 -4.369 -9.491 1.00 0.00 C ATOM 0 H MET A 24 0.854 1.013 -5.681 1.00 0.00 H new ATOM 0 HA MET A 24 2.649 -1.302 -5.603 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.119 -1.446 -5.817 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.275 -0.711 -7.400 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.117 -2.816 -7.459 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.762 -3.472 -6.563 1.00 0.00 H new ATOM 0 HE1 MET A 24 0.436 -4.798 -10.307 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.992 -4.056 -9.865 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.152 -5.116 -8.709 1.00 0.00 H new ATOM 358 N GLU A 25 2.644 1.044 -7.848 1.00 0.00 N ATOM 359 CA GLU A 25 3.358 1.585 -8.984 1.00 0.00 C ATOM 360 C GLU A 25 4.634 2.248 -8.541 1.00 0.00 C ATOM 361 O GLU A 25 5.675 2.067 -9.174 1.00 0.00 O ATOM 362 CB GLU A 25 2.476 2.557 -9.770 1.00 0.00 C ATOM 363 CG GLU A 25 1.075 2.025 -10.028 1.00 0.00 C ATOM 364 CD GLU A 25 0.258 2.927 -10.933 1.00 0.00 C ATOM 365 OE1 GLU A 25 0.732 4.037 -11.249 1.00 0.00 O ATOM 366 OE2 GLU A 25 -0.856 2.520 -11.325 1.00 0.00 O ATOM 0 H GLU A 25 1.966 1.682 -7.431 1.00 0.00 H new ATOM 0 HA GLU A 25 3.619 0.761 -9.648 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.405 3.497 -9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.954 2.780 -10.724 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.145 1.035 -10.478 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.556 1.907 -9.077 1.00 0.00 H new ATOM 373 N VAL A 26 4.596 2.983 -7.442 1.00 0.00 N ATOM 374 CA VAL A 26 5.822 3.584 -6.983 1.00 0.00 C ATOM 375 C VAL A 26 6.852 2.492 -6.865 1.00 0.00 C ATOM 376 O VAL A 26 7.902 2.511 -7.495 1.00 0.00 O ATOM 377 CB VAL A 26 5.742 4.271 -5.619 1.00 0.00 C ATOM 378 CG1 VAL A 26 6.543 5.529 -5.682 1.00 0.00 C ATOM 379 CG2 VAL A 26 4.350 4.587 -5.191 1.00 0.00 C ATOM 0 H VAL A 26 3.767 3.169 -6.878 1.00 0.00 H new ATOM 0 HA VAL A 26 6.067 4.358 -7.710 1.00 0.00 H new ATOM 0 HB VAL A 26 6.138 3.577 -4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.500 6.036 -4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.579 5.289 -5.920 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.135 6.182 -6.454 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.371 5.073 -4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.888 5.254 -5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.771 3.666 -5.125 1.00 0.00 H new ATOM 389 N ALA A 27 6.501 1.528 -6.036 1.00 0.00 N ATOM 390 CA ALA A 27 7.340 0.379 -5.768 1.00 0.00 C ATOM 391 C ALA A 27 8.226 0.035 -6.945 1.00 0.00 C ATOM 392 O ALA A 27 9.444 0.210 -6.902 1.00 0.00 O ATOM 393 CB ALA A 27 6.489 -0.835 -5.428 1.00 0.00 C ATOM 0 H ALA A 27 5.618 1.521 -5.526 1.00 0.00 H new ATOM 0 HA ALA A 27 7.973 0.644 -4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.136 -1.689 -5.230 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.888 -0.622 -4.544 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.832 -1.065 -6.267 1.00 0.00 H new ATOM 399 N THR A 28 7.601 -0.479 -7.989 1.00 0.00 N ATOM 400 CA THR A 28 8.329 -0.879 -9.177 1.00 0.00 C ATOM 401 C THR A 28 9.267 0.234 -9.616 1.00 0.00 C ATOM 402 O THR A 28 10.363 -0.024 -10.115 1.00 0.00 O ATOM 403 CB THR A 28 7.373 -1.246 -10.317 1.00 0.00 C ATOM 404 OG1 THR A 28 7.316 -0.198 -11.273 1.00 0.00 O ATOM 405 CG2 THR A 28 5.955 -1.547 -9.869 1.00 0.00 C ATOM 0 H THR A 28 6.593 -0.629 -8.037 1.00 0.00 H new ATOM 0 HA THR A 28 8.915 -1.764 -8.931 1.00 0.00 H new ATOM 0 HB THR A 28 7.784 -2.160 -10.746 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.703 -0.447 -11.996 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.345 -1.797 -10.737 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.963 -2.389 -9.176 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.537 -0.672 -9.372 1.00 0.00 H new ATOM 413 N GLN A 29 8.843 1.474 -9.405 1.00 0.00 N ATOM 414 CA GLN A 29 9.669 2.621 -9.759 1.00 0.00 C ATOM 415 C GLN A 29 10.803 2.775 -8.756 1.00 0.00 C ATOM 416 O GLN A 29 11.906 3.199 -9.101 1.00 0.00 O ATOM 417 CB GLN A 29 8.833 3.902 -9.817 1.00 0.00 C ATOM 418 CG GLN A 29 8.182 4.140 -11.169 1.00 0.00 C ATOM 419 CD GLN A 29 6.953 5.024 -11.077 1.00 0.00 C ATOM 420 OE1 GLN A 29 6.796 5.791 -10.127 1.00 0.00 O ATOM 421 NE2 GLN A 29 6.075 4.920 -12.066 1.00 0.00 N ATOM 0 H GLN A 29 7.940 1.710 -8.994 1.00 0.00 H new ATOM 0 HA GLN A 29 10.090 2.448 -10.749 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.058 3.855 -9.052 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.469 4.753 -9.574 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.906 4.600 -11.841 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.904 3.182 -11.608 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.246 4.271 -12.834 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.229 5.489 -12.059 1.00 0.00 H new ATOM 430 N ASN A 30 10.518 2.418 -7.511 1.00 0.00 N ATOM 431 CA ASN A 30 11.504 2.502 -6.438 1.00 0.00 C ATOM 432 C ASN A 30 12.313 1.210 -6.339 1.00 0.00 C ATOM 433 O ASN A 30 13.090 1.025 -5.402 1.00 0.00 O ATOM 434 CB ASN A 30 10.802 2.771 -5.101 1.00 0.00 C ATOM 435 CG ASN A 30 9.352 3.171 -5.287 1.00 0.00 C ATOM 436 OD1 ASN A 30 9.024 3.899 -6.217 1.00 0.00 O ATOM 437 ND2 ASN A 30 8.487 2.715 -4.394 1.00 0.00 N ATOM 0 H ASN A 30 9.607 2.065 -7.217 1.00 0.00 H new ATOM 0 HA ASN A 30 12.184 3.323 -6.665 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.854 1.877 -4.479 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.330 3.562 -4.568 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.501 2.967 -4.464 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.807 2.111 -3.637 1.00 0.00 H new ATOM 444 N GLY A 31 12.108 0.310 -7.299 1.00 0.00 N ATOM 445 CA GLY A 31 12.812 -0.961 -7.284 1.00 0.00 C ATOM 446 C GLY A 31 12.371 -1.817 -6.116 1.00 0.00 C ATOM 447 O GLY A 31 13.086 -2.720 -5.677 1.00 0.00 O ATOM 0 H GLY A 31 11.469 0.438 -8.084 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.628 -1.493 -8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.886 -0.784 -7.224 1.00 0.00 H new ATOM 451 N VAL A 32 11.190 -1.500 -5.604 1.00 0.00 N ATOM 452 CA VAL A 32 10.609 -2.185 -4.464 1.00 0.00 C ATOM 453 C VAL A 32 10.093 -3.575 -4.783 1.00 0.00 C ATOM 454 O VAL A 32 9.430 -3.795 -5.796 1.00 0.00 O ATOM 455 CB VAL A 32 9.412 -1.398 -3.946 1.00 0.00 C ATOM 456 CG1 VAL A 32 8.888 -1.947 -2.643 1.00 0.00 C ATOM 457 CG2 VAL A 32 9.735 0.066 -3.810 1.00 0.00 C ATOM 0 H VAL A 32 10.604 -0.752 -5.974 1.00 0.00 H new ATOM 0 HA VAL A 32 11.416 -2.265 -3.735 1.00 0.00 H new ATOM 0 HB VAL A 32 8.622 -1.509 -4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.035 -1.353 -2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.576 -2.982 -2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.673 -1.904 -1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.860 0.599 -3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.561 0.193 -3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.018 0.468 -4.783 1.00 0.00 H new ATOM 467 N PRO A 33 10.342 -4.514 -3.870 1.00 0.00 N ATOM 468 CA PRO A 33 9.856 -5.882 -3.985 1.00 0.00 C ATOM 469 C PRO A 33 8.332 -5.902 -3.881 1.00 0.00 C ATOM 470 O PRO A 33 7.672 -4.905 -4.174 1.00 0.00 O ATOM 471 CB PRO A 33 10.495 -6.578 -2.773 1.00 0.00 C ATOM 472 CG PRO A 33 10.709 -5.477 -1.792 1.00 0.00 C ATOM 473 CD PRO A 33 11.081 -4.294 -2.619 1.00 0.00 C ATOM 0 HA PRO A 33 10.107 -6.361 -4.931 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.843 -7.351 -2.368 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.435 -7.062 -3.041 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.807 -5.285 -1.211 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.498 -5.727 -1.083 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.791 -3.360 -2.139 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.156 -4.244 -2.790 1.00 0.00 H new ATOM 481 N GLY A 34 7.783 -7.024 -3.450 1.00 0.00 N ATOM 482 CA GLY A 34 6.345 -7.149 -3.294 1.00 0.00 C ATOM 483 C GLY A 34 5.544 -6.547 -4.435 1.00 0.00 C ATOM 484 O GLY A 34 4.355 -6.270 -4.276 1.00 0.00 O ATOM 0 H GLY A 34 8.311 -7.861 -3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.090 -8.205 -3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.048 -6.668 -2.362 1.00 0.00 H new ATOM 488 N ILE A 35 6.173 -6.350 -5.591 1.00 0.00 N ATOM 489 CA ILE A 35 5.475 -5.791 -6.740 1.00 0.00 C ATOM 490 C ILE A 35 4.187 -6.568 -7.005 1.00 0.00 C ATOM 491 O ILE A 35 3.099 -5.992 -7.036 1.00 0.00 O ATOM 492 CB ILE A 35 6.362 -5.809 -8.004 1.00 0.00 C ATOM 493 CG1 ILE A 35 7.431 -4.718 -7.913 1.00 0.00 C ATOM 494 CG2 ILE A 35 5.522 -5.624 -9.260 1.00 0.00 C ATOM 495 CD1 ILE A 35 8.664 -5.007 -8.741 1.00 0.00 C ATOM 0 H ILE A 35 7.156 -6.568 -5.754 1.00 0.00 H new ATOM 0 HA ILE A 35 5.234 -4.754 -6.507 1.00 0.00 H new ATOM 0 HB ILE A 35 6.853 -6.780 -8.065 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.000 -3.771 -8.237 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.724 -4.595 -6.871 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.170 -5.640 -10.137 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.793 -6.431 -9.332 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.001 -4.668 -9.212 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.378 -4.191 -8.628 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.120 -5.938 -8.403 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.384 -5.101 -9.790 1.00 0.00 H new ATOM 507 N VAL A 36 4.325 -7.880 -7.180 1.00 0.00 N ATOM 508 CA VAL A 36 3.182 -8.757 -7.429 1.00 0.00 C ATOM 509 C VAL A 36 2.058 -8.028 -8.157 1.00 0.00 C ATOM 510 O VAL A 36 1.167 -7.456 -7.528 1.00 0.00 O ATOM 511 CB VAL A 36 2.631 -9.341 -6.113 1.00 0.00 C ATOM 512 CG1 VAL A 36 1.961 -10.684 -6.361 1.00 0.00 C ATOM 513 CG2 VAL A 36 3.739 -9.474 -5.080 1.00 0.00 C ATOM 0 H VAL A 36 5.223 -8.363 -7.154 1.00 0.00 H new ATOM 0 HA VAL A 36 3.544 -9.567 -8.062 1.00 0.00 H new ATOM 0 HB VAL A 36 1.881 -8.654 -5.721 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.579 -11.079 -5.420 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.136 -10.555 -7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.687 -11.381 -6.779 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.330 -9.888 -4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.515 -10.137 -5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.168 -8.492 -4.878 1.00 0.00 H new ATOM 523 N ALA A 37 2.103 -8.053 -9.485 1.00 0.00 N ATOM 524 CA ALA A 37 1.086 -7.394 -10.295 1.00 0.00 C ATOM 525 C ALA A 37 0.180 -8.411 -10.980 1.00 0.00 C ATOM 526 O ALA A 37 0.377 -8.741 -12.150 1.00 0.00 O ATOM 527 CB ALA A 37 1.737 -6.490 -11.328 1.00 0.00 C ATOM 0 H ALA A 37 2.832 -8.522 -10.022 1.00 0.00 H new ATOM 0 HA ALA A 37 0.470 -6.787 -9.631 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.965 -6.005 -11.925 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.335 -5.732 -10.823 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.379 -7.084 -11.978 1.00 0.00 H new ATOM 533 N GLU A 38 -0.813 -8.903 -10.248 1.00 0.00 N ATOM 534 CA GLU A 38 -1.749 -9.880 -10.791 1.00 0.00 C ATOM 535 C GLU A 38 -2.785 -9.198 -11.679 1.00 0.00 C ATOM 536 O GLU A 38 -3.048 -9.640 -12.798 1.00 0.00 O ATOM 537 CB GLU A 38 -2.450 -10.633 -9.659 1.00 0.00 C ATOM 538 CG GLU A 38 -1.649 -11.809 -9.123 1.00 0.00 C ATOM 539 CD GLU A 38 -1.714 -13.020 -10.032 1.00 0.00 C ATOM 540 OE1 GLU A 38 -2.385 -12.938 -11.083 1.00 0.00 O ATOM 541 OE2 GLU A 38 -1.095 -14.050 -9.695 1.00 0.00 O ATOM 0 H GLU A 38 -0.990 -8.642 -9.278 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.185 -10.591 -11.395 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.652 -9.939 -8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.414 -10.994 -10.016 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.609 -11.509 -8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.024 -12.080 -8.136 1.00 0.00 H new ATOM 548 N CYS A 39 -3.367 -8.116 -11.172 1.00 0.00 N ATOM 549 CA CYS A 39 -4.373 -7.366 -11.915 1.00 0.00 C ATOM 550 C CYS A 39 -3.777 -6.085 -12.496 1.00 0.00 C ATOM 551 O CYS A 39 -4.251 -5.568 -13.507 1.00 0.00 O ATOM 552 CB CYS A 39 -5.564 -7.041 -11.010 1.00 0.00 C ATOM 553 SG CYS A 39 -5.222 -5.778 -9.744 1.00 0.00 S ATOM 0 H CYS A 39 -3.159 -7.738 -10.248 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.720 -7.983 -12.744 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.394 -6.702 -11.630 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.889 -7.956 -10.515 1.00 0.00 H new ATOM 0 HG CYS A 39 -5.962 -6.000 -8.699 1.00 0.00 H new ATOM 558 N GLY A 40 -2.723 -5.591 -11.853 1.00 0.00 N ATOM 559 CA GLY A 40 -2.055 -4.386 -12.317 1.00 0.00 C ATOM 560 C GLY A 40 -3.002 -3.353 -12.902 1.00 0.00 C ATOM 561 O GLY A 40 -3.087 -3.202 -14.120 1.00 0.00 O ATOM 0 H GLY A 40 -2.317 -6.006 -11.014 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.512 -3.938 -11.485 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.316 -4.658 -13.071 1.00 0.00 H new ATOM 565 N GLY A 41 -3.702 -2.631 -12.033 1.00 0.00 N ATOM 566 CA GLY A 41 -4.622 -1.605 -12.492 1.00 0.00 C ATOM 567 C GLY A 41 -6.049 -2.101 -12.619 1.00 0.00 C ATOM 568 O GLY A 41 -6.983 -1.303 -12.697 1.00 0.00 O ATOM 0 H GLY A 41 -3.649 -2.737 -11.020 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.596 -0.765 -11.798 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.286 -1.230 -13.459 1.00 0.00 H new ATOM 572 N SER A 42 -6.225 -3.418 -12.637 1.00 0.00 N ATOM 573 CA SER A 42 -7.555 -4.004 -12.753 1.00 0.00 C ATOM 574 C SER A 42 -8.279 -3.960 -11.411 1.00 0.00 C ATOM 575 O SER A 42 -9.505 -4.047 -11.351 1.00 0.00 O ATOM 576 CB SER A 42 -7.463 -5.445 -13.253 1.00 0.00 C ATOM 577 OG SER A 42 -8.010 -5.571 -14.554 1.00 0.00 O ATOM 0 H SER A 42 -5.467 -4.097 -12.573 1.00 0.00 H new ATOM 0 HA SER A 42 -8.124 -3.419 -13.475 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.421 -5.764 -13.261 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.993 -6.105 -12.567 1.00 0.00 H new ATOM 0 HG SER A 42 -7.937 -6.502 -14.851 1.00 0.00 H new ATOM 583 N CYS A 43 -7.509 -3.822 -10.337 1.00 0.00 N ATOM 584 CA CYS A 43 -8.073 -3.765 -8.995 1.00 0.00 C ATOM 585 C CYS A 43 -9.143 -4.835 -8.815 1.00 0.00 C ATOM 586 O CYS A 43 -10.262 -4.544 -8.392 1.00 0.00 O ATOM 587 CB CYS A 43 -8.667 -2.382 -8.730 1.00 0.00 C ATOM 588 SG CYS A 43 -7.432 -1.088 -8.466 1.00 0.00 S ATOM 0 H CYS A 43 -6.492 -3.748 -10.371 1.00 0.00 H new ATOM 0 HA CYS A 43 -7.273 -3.951 -8.279 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.298 -2.101 -9.574 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.313 -2.437 -7.854 1.00 0.00 H new ATOM 0 HG CYS A 43 -6.325 -1.624 -8.046 1.00 0.00 H new ATOM 594 N VAL A 44 -8.793 -6.073 -9.142 1.00 0.00 N ATOM 595 CA VAL A 44 -9.724 -7.186 -9.021 1.00 0.00 C ATOM 596 C VAL A 44 -9.037 -8.426 -8.458 1.00 0.00 C ATOM 597 O VAL A 44 -9.295 -9.543 -8.903 1.00 0.00 O ATOM 598 CB VAL A 44 -10.356 -7.543 -10.378 1.00 0.00 C ATOM 599 CG1 VAL A 44 -11.465 -8.568 -10.198 1.00 0.00 C ATOM 600 CG2 VAL A 44 -10.881 -6.294 -11.070 1.00 0.00 C ATOM 0 H VAL A 44 -7.871 -6.331 -9.493 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.507 -6.863 -8.335 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.585 -7.983 -11.011 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.900 -8.808 -11.168 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.055 -9.473 -9.750 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.237 -8.159 -9.546 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -11.324 -6.568 -12.028 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.636 -5.821 -10.443 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.059 -5.597 -11.236 1.00 0.00 H new ATOM 610 N CYS A 45 -8.164 -8.225 -7.474 1.00 0.00 N ATOM 611 CA CYS A 45 -7.451 -9.337 -6.856 1.00 0.00 C ATOM 612 C CYS A 45 -7.009 -8.994 -5.436 1.00 0.00 C ATOM 613 O CYS A 45 -7.160 -7.860 -4.983 1.00 0.00 O ATOM 614 CB CYS A 45 -6.243 -9.739 -7.708 1.00 0.00 C ATOM 615 SG CYS A 45 -4.685 -8.894 -7.273 1.00 0.00 S ATOM 0 H CYS A 45 -7.935 -7.308 -7.090 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.138 -10.182 -6.798 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.094 -10.815 -7.617 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.470 -9.536 -8.754 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.141 -8.406 -8.348 1.00 0.00 H new ATOM 620 N ALA A 46 -6.460 -9.986 -4.739 1.00 0.00 N ATOM 621 CA ALA A 46 -5.995 -9.795 -3.370 1.00 0.00 C ATOM 622 C ALA A 46 -4.565 -10.301 -3.196 1.00 0.00 C ATOM 623 O ALA A 46 -4.266 -11.029 -2.250 1.00 0.00 O ATOM 624 CB ALA A 46 -6.927 -10.501 -2.396 1.00 0.00 C ATOM 0 H ALA A 46 -6.327 -10.930 -5.101 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.001 -8.726 -3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.570 -10.351 -1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.932 -10.091 -2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.948 -11.567 -2.620 1.00 0.00 H new ATOM 630 N THR A 47 -3.687 -9.912 -4.115 1.00 0.00 N ATOM 631 CA THR A 47 -2.289 -10.328 -4.061 1.00 0.00 C ATOM 632 C THR A 47 -1.378 -9.150 -3.731 1.00 0.00 C ATOM 633 O THR A 47 -0.154 -9.278 -3.742 1.00 0.00 O ATOM 634 CB THR A 47 -1.873 -10.955 -5.392 1.00 0.00 C ATOM 635 OG1 THR A 47 -1.871 -9.986 -6.424 1.00 0.00 O ATOM 636 CG2 THR A 47 -2.776 -12.089 -5.826 1.00 0.00 C ATOM 0 H THR A 47 -3.918 -9.310 -4.905 1.00 0.00 H new ATOM 0 HA THR A 47 -2.188 -11.070 -3.269 1.00 0.00 H new ATOM 0 HB THR A 47 -0.872 -11.353 -5.224 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.780 -9.641 -6.551 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.426 -12.490 -6.777 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.759 -12.876 -5.072 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.795 -11.719 -5.941 1.00 0.00 H new ATOM 644 N CYS A 48 -1.982 -8.002 -3.435 1.00 0.00 N ATOM 645 CA CYS A 48 -1.224 -6.803 -3.099 1.00 0.00 C ATOM 646 C CYS A 48 -1.379 -6.460 -1.620 1.00 0.00 C ATOM 647 O CYS A 48 -1.732 -5.335 -1.267 1.00 0.00 O ATOM 648 CB CYS A 48 -1.685 -5.624 -3.962 1.00 0.00 C ATOM 649 SG CYS A 48 -3.494 -5.430 -4.057 1.00 0.00 S ATOM 0 H CYS A 48 -2.994 -7.878 -3.421 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.171 -6.999 -3.299 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.253 -4.706 -3.564 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.291 -5.750 -4.970 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.789 -4.549 -4.966 1.00 0.00 H new ATOM 654 N ARG A 49 -1.119 -7.441 -0.761 1.00 0.00 N ATOM 655 CA ARG A 49 -1.235 -7.247 0.680 1.00 0.00 C ATOM 656 C ARG A 49 -0.110 -6.361 1.211 1.00 0.00 C ATOM 657 O ARG A 49 0.982 -6.841 1.511 1.00 0.00 O ATOM 658 CB ARG A 49 -1.220 -8.598 1.399 1.00 0.00 C ATOM 659 CG ARG A 49 -1.665 -8.522 2.850 1.00 0.00 C ATOM 660 CD ARG A 49 -3.176 -8.393 2.962 1.00 0.00 C ATOM 661 NE ARG A 49 -3.601 -8.123 4.333 1.00 0.00 N ATOM 662 CZ ARG A 49 -4.806 -8.429 4.803 1.00 0.00 C ATOM 663 NH1 ARG A 49 -5.694 -9.024 4.017 1.00 0.00 N ATOM 664 NH2 ARG A 49 -5.120 -8.144 6.059 1.00 0.00 N ATOM 0 H ARG A 49 -0.827 -8.378 -1.038 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.183 -6.747 0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.870 -9.291 0.865 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.212 -9.010 1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.334 -9.415 3.381 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.189 -7.669 3.334 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.521 -7.590 2.311 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.646 -9.312 2.611 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.937 -7.675 4.964 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.452 -9.247 3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.619 -9.259 4.378 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.437 -7.690 6.665 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.045 -8.379 6.419 1.00 0.00 H new ATOM 678 N ILE A 50 -0.390 -5.066 1.331 1.00 0.00 N ATOM 679 CA ILE A 50 0.591 -4.111 1.835 1.00 0.00 C ATOM 680 C ILE A 50 0.030 -3.344 3.025 1.00 0.00 C ATOM 681 O ILE A 50 -1.148 -3.481 3.359 1.00 0.00 O ATOM 682 CB ILE A 50 1.025 -3.116 0.745 1.00 0.00 C ATOM 683 CG1 ILE A 50 1.136 -3.827 -0.603 1.00 0.00 C ATOM 684 CG2 ILE A 50 2.351 -2.469 1.116 1.00 0.00 C ATOM 685 CD1 ILE A 50 2.078 -5.012 -0.581 1.00 0.00 C ATOM 0 H ILE A 50 -1.290 -4.654 1.085 1.00 0.00 H new ATOM 0 HA ILE A 50 1.465 -4.682 2.149 1.00 0.00 H new ATOM 0 HB ILE A 50 0.271 -2.333 0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.146 -4.165 -0.910 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.477 -3.115 -1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.645 -1.768 0.335 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.244 -1.936 2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.116 -3.239 1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.109 -5.470 -1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.078 -4.677 -0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.726 -5.743 0.147 1.00 0.00 H new ATOM 697 N GLU A 51 0.874 -2.551 3.677 1.00 0.00 N ATOM 698 CA GLU A 51 0.437 -1.791 4.841 1.00 0.00 C ATOM 699 C GLU A 51 1.012 -0.376 4.864 1.00 0.00 C ATOM 700 O GLU A 51 2.228 -0.186 4.911 1.00 0.00 O ATOM 701 CB GLU A 51 0.842 -2.524 6.119 1.00 0.00 C ATOM 702 CG GLU A 51 -0.171 -3.561 6.567 1.00 0.00 C ATOM 703 CD GLU A 51 0.454 -4.920 6.810 1.00 0.00 C ATOM 704 OE1 GLU A 51 1.695 -5.027 6.722 1.00 0.00 O ATOM 705 OE2 GLU A 51 -0.298 -5.877 7.089 1.00 0.00 O ATOM 0 H GLU A 51 1.853 -2.419 3.423 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.648 -1.705 4.780 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.804 -3.012 5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.982 -1.796 6.918 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.655 -3.219 7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.950 -3.654 5.810 1.00 0.00 H new ATOM 712 N ILE A 52 0.122 0.613 4.869 1.00 0.00 N ATOM 713 CA ILE A 52 0.522 2.014 4.933 1.00 0.00 C ATOM 714 C ILE A 52 1.109 2.294 6.304 1.00 0.00 C ATOM 715 O ILE A 52 0.661 1.699 7.284 1.00 0.00 O ATOM 716 CB ILE A 52 -0.700 2.930 4.740 1.00 0.00 C ATOM 717 CG1 ILE A 52 -1.317 2.715 3.361 1.00 0.00 C ATOM 718 CG2 ILE A 52 -0.323 4.390 4.957 1.00 0.00 C ATOM 719 CD1 ILE A 52 -0.601 3.455 2.262 1.00 0.00 C ATOM 0 H ILE A 52 -0.887 0.467 4.829 1.00 0.00 H new ATOM 0 HA ILE A 52 1.252 2.208 4.147 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.449 2.669 5.488 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.314 1.649 3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.359 3.034 3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.203 5.018 4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.057 4.521 5.970 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.447 4.677 4.241 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.093 3.257 1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.626 4.525 2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.435 3.119 2.212 1.00 0.00 H new ATOM 731 N GLU A 53 2.091 3.187 6.422 1.00 0.00 N ATOM 732 CA GLU A 53 2.615 3.431 7.765 1.00 0.00 C ATOM 733 C GLU A 53 1.437 3.831 8.662 1.00 0.00 C ATOM 734 O GLU A 53 0.382 4.210 8.154 1.00 0.00 O ATOM 735 CB GLU A 53 3.755 4.465 7.773 1.00 0.00 C ATOM 736 CG GLU A 53 3.373 5.824 8.323 1.00 0.00 C ATOM 737 CD GLU A 53 3.783 6.013 9.773 1.00 0.00 C ATOM 738 OE1 GLU A 53 3.146 5.407 10.658 1.00 0.00 O ATOM 739 OE2 GLU A 53 4.743 6.774 10.020 1.00 0.00 O ATOM 0 H GLU A 53 2.516 3.720 5.663 1.00 0.00 H new ATOM 0 HA GLU A 53 3.073 2.522 8.155 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.582 4.069 8.362 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.121 4.590 6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.839 6.600 7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.294 5.955 8.236 1.00 0.00 H new ATOM 746 N ASP A 54 1.580 3.709 9.979 1.00 0.00 N ATOM 747 CA ASP A 54 0.472 4.024 10.895 1.00 0.00 C ATOM 748 C ASP A 54 0.239 5.523 11.088 1.00 0.00 C ATOM 749 O ASP A 54 -0.384 5.938 12.066 1.00 0.00 O ATOM 750 CB ASP A 54 0.702 3.362 12.254 1.00 0.00 C ATOM 751 CG ASP A 54 0.951 1.871 12.143 1.00 0.00 C ATOM 752 OD1 ASP A 54 0.022 1.143 11.734 1.00 0.00 O ATOM 753 OD2 ASP A 54 2.074 1.431 12.465 1.00 0.00 O ATOM 0 H ASP A 54 2.437 3.399 10.437 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.427 3.625 10.425 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.554 3.833 12.744 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.166 3.535 12.890 1.00 0.00 H new ATOM 758 N ALA A 55 0.712 6.323 10.154 1.00 0.00 N ATOM 759 CA ALA A 55 0.533 7.762 10.207 1.00 0.00 C ATOM 760 C ALA A 55 -0.364 8.227 9.077 1.00 0.00 C ATOM 761 O ALA A 55 -0.968 9.296 9.144 1.00 0.00 O ATOM 762 CB ALA A 55 1.877 8.457 10.090 1.00 0.00 C ATOM 0 H ALA A 55 1.230 5.996 9.338 1.00 0.00 H new ATOM 0 HA ALA A 55 0.070 8.014 11.161 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.733 9.537 10.131 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.521 8.145 10.913 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.344 8.189 9.142 1.00 0.00 H new ATOM 768 N TRP A 56 -0.377 7.445 8.006 1.00 0.00 N ATOM 769 CA TRP A 56 -1.119 7.804 6.811 1.00 0.00 C ATOM 770 C TRP A 56 -2.364 6.999 6.573 1.00 0.00 C ATOM 771 O TRP A 56 -3.097 7.270 5.632 1.00 0.00 O ATOM 772 CB TRP A 56 -0.210 7.650 5.629 1.00 0.00 C ATOM 773 CG TRP A 56 0.997 8.465 5.818 1.00 0.00 C ATOM 774 CD1 TRP A 56 2.007 8.198 6.679 1.00 0.00 C ATOM 775 CD2 TRP A 56 1.314 9.690 5.178 1.00 0.00 C ATOM 776 NE1 TRP A 56 2.935 9.190 6.635 1.00 0.00 N ATOM 777 CE2 TRP A 56 2.547 10.110 5.710 1.00 0.00 C ATOM 778 CE3 TRP A 56 0.688 10.477 4.200 1.00 0.00 C ATOM 779 CZ2 TRP A 56 3.168 11.274 5.307 1.00 0.00 C ATOM 780 CZ3 TRP A 56 1.321 11.635 3.793 1.00 0.00 C ATOM 781 CH2 TRP A 56 2.548 12.020 4.346 1.00 0.00 C ATOM 0 H TRP A 56 0.120 6.556 7.943 1.00 0.00 H new ATOM 0 HA TRP A 56 -1.453 8.831 6.955 1.00 0.00 H new ATOM 0 HB2 TRP A 56 0.064 6.602 5.504 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.727 7.955 4.719 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.067 7.323 7.310 1.00 0.00 H new ATOM 0 HE1 TRP A 56 3.782 9.237 7.201 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -0.262 10.186 3.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 4.110 11.584 5.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 0.862 12.253 3.036 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.016 12.931 4.004 1.00 0.00 H new ATOM 792 N VAL A 57 -2.628 6.033 7.399 1.00 0.00 N ATOM 793 CA VAL A 57 -3.816 5.257 7.212 1.00 0.00 C ATOM 794 C VAL A 57 -5.018 6.154 7.319 1.00 0.00 C ATOM 795 O VAL A 57 -5.973 6.050 6.549 1.00 0.00 O ATOM 796 CB VAL A 57 -3.927 4.172 8.255 1.00 0.00 C ATOM 797 CG1 VAL A 57 -5.114 3.309 7.929 1.00 0.00 C ATOM 798 CG2 VAL A 57 -2.631 3.406 8.290 1.00 0.00 C ATOM 0 H VAL A 57 -2.049 5.766 8.195 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.769 4.794 6.226 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.090 4.582 9.252 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.206 2.520 8.675 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.018 3.918 7.931 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.980 2.862 6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.695 2.617 9.040 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.444 2.963 7.312 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.815 4.083 8.544 1.00 0.00 H new ATOM 808 N GLU A 58 -4.936 7.062 8.272 1.00 0.00 N ATOM 809 CA GLU A 58 -5.992 8.025 8.484 1.00 0.00 C ATOM 810 C GLU A 58 -5.854 9.141 7.462 1.00 0.00 C ATOM 811 O GLU A 58 -6.725 10.001 7.336 1.00 0.00 O ATOM 812 CB GLU A 58 -5.943 8.585 9.908 1.00 0.00 C ATOM 813 CG GLU A 58 -6.937 7.929 10.853 1.00 0.00 C ATOM 814 CD GLU A 58 -6.791 8.414 12.282 1.00 0.00 C ATOM 815 OE1 GLU A 58 -7.274 9.526 12.584 1.00 0.00 O ATOM 816 OE2 GLU A 58 -6.192 7.684 13.099 1.00 0.00 O ATOM 0 H GLU A 58 -4.146 7.151 8.911 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.957 7.535 8.359 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.936 8.456 10.306 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.138 9.657 9.875 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.950 8.132 10.506 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.801 6.848 10.824 1.00 0.00 H new ATOM 823 N ILE A 59 -4.755 9.095 6.710 1.00 0.00 N ATOM 824 CA ILE A 59 -4.504 10.083 5.663 1.00 0.00 C ATOM 825 C ILE A 59 -4.940 9.516 4.332 1.00 0.00 C ATOM 826 O ILE A 59 -5.490 10.212 3.479 1.00 0.00 O ATOM 827 CB ILE A 59 -3.013 10.466 5.555 1.00 0.00 C ATOM 828 CG1 ILE A 59 -2.652 11.472 6.633 1.00 0.00 C ATOM 829 CG2 ILE A 59 -2.687 11.044 4.180 1.00 0.00 C ATOM 830 CD1 ILE A 59 -1.238 11.340 7.123 1.00 0.00 C ATOM 0 H ILE A 59 -4.027 8.387 6.806 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.068 10.978 5.924 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.424 9.559 5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.801 12.479 6.244 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.333 11.351 7.475 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.629 11.304 4.136 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.911 10.304 3.412 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.287 11.938 4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.048 12.089 7.892 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.089 10.345 7.542 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.549 11.490 6.292 1.00 0.00 H new ATOM 842 N VAL A 60 -4.667 8.234 4.175 1.00 0.00 N ATOM 843 CA VAL A 60 -4.996 7.526 2.965 1.00 0.00 C ATOM 844 C VAL A 60 -6.386 6.910 3.080 1.00 0.00 C ATOM 845 O VAL A 60 -7.359 7.489 2.598 1.00 0.00 O ATOM 846 CB VAL A 60 -3.937 6.448 2.673 1.00 0.00 C ATOM 847 CG1 VAL A 60 -4.215 5.769 1.339 1.00 0.00 C ATOM 848 CG2 VAL A 60 -2.530 7.059 2.706 1.00 0.00 C ATOM 0 H VAL A 60 -4.212 7.660 4.885 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.002 8.229 2.132 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.991 5.685 3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.455 5.010 1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.198 5.299 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.191 6.511 0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.792 6.284 2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.456 7.843 1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.341 7.484 3.692 1.00 0.00 H new ATOM 858 N GLY A 61 -6.470 5.753 3.749 1.00 0.00 N ATOM 859 CA GLY A 61 -7.751 5.078 3.955 1.00 0.00 C ATOM 860 C GLY A 61 -8.848 5.556 3.019 1.00 0.00 C ATOM 861 O GLY A 61 -9.883 6.044 3.469 1.00 0.00 O ATOM 0 H GLY A 61 -5.668 5.269 4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.613 4.005 3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.072 5.232 4.985 1.00 0.00 H new ATOM 865 N GLU A 62 -8.613 5.435 1.717 1.00 0.00 N ATOM 866 CA GLU A 62 -9.584 5.880 0.719 1.00 0.00 C ATOM 867 C GLU A 62 -10.606 4.799 0.403 1.00 0.00 C ATOM 868 O GLU A 62 -11.650 5.068 -0.192 1.00 0.00 O ATOM 869 CB GLU A 62 -8.860 6.276 -0.562 1.00 0.00 C ATOM 870 CG GLU A 62 -8.002 7.521 -0.420 1.00 0.00 C ATOM 871 CD GLU A 62 -7.870 8.291 -1.719 1.00 0.00 C ATOM 872 OE1 GLU A 62 -8.607 7.972 -2.676 1.00 0.00 O ATOM 873 OE2 GLU A 62 -7.029 9.213 -1.781 1.00 0.00 O ATOM 0 H GLU A 62 -7.761 5.033 1.327 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.114 6.737 1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.230 5.447 -0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.596 6.441 -1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.435 8.171 0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.010 7.236 -0.069 1.00 0.00 H new ATOM 880 N ALA A 63 -10.286 3.578 0.782 1.00 0.00 N ATOM 881 CA ALA A 63 -11.163 2.442 0.517 1.00 0.00 C ATOM 882 C ALA A 63 -12.529 2.607 1.153 1.00 0.00 C ATOM 883 O ALA A 63 -12.694 3.293 2.161 1.00 0.00 O ATOM 884 CB ALA A 63 -10.551 1.138 1.000 1.00 0.00 C ATOM 0 H ALA A 63 -9.425 3.341 1.275 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.284 2.408 -0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.233 0.315 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.604 0.968 0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.376 1.194 2.074 1.00 0.00 H new ATOM 890 N ASN A 64 -13.494 1.924 0.561 1.00 0.00 N ATOM 891 CA ASN A 64 -14.845 1.914 1.036 1.00 0.00 C ATOM 892 C ASN A 64 -15.010 0.757 2.005 1.00 0.00 C ATOM 893 O ASN A 64 -14.121 -0.084 2.145 1.00 0.00 O ATOM 894 CB ASN A 64 -15.824 1.757 -0.144 1.00 0.00 C ATOM 895 CG ASN A 64 -15.167 1.226 -1.404 1.00 0.00 C ATOM 896 OD1 ASN A 64 -14.104 1.697 -1.809 1.00 0.00 O ATOM 897 ND2 ASN A 64 -15.799 0.241 -2.033 1.00 0.00 N ATOM 0 H ASN A 64 -13.347 1.357 -0.274 1.00 0.00 H new ATOM 0 HA ASN A 64 -15.064 2.855 1.540 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.629 1.083 0.149 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -16.279 2.723 -0.360 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -15.405 -0.155 -2.887 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -16.678 -0.120 -1.662 1.00 0.00 H new ATOM 904 N PRO A 65 -16.155 0.693 2.669 1.00 0.00 N ATOM 905 CA PRO A 65 -16.473 -0.372 3.625 1.00 0.00 C ATOM 906 C PRO A 65 -16.498 -1.761 2.979 1.00 0.00 C ATOM 907 O PRO A 65 -16.803 -2.752 3.644 1.00 0.00 O ATOM 908 CB PRO A 65 -17.873 0.006 4.130 1.00 0.00 C ATOM 909 CG PRO A 65 -18.420 0.933 3.097 1.00 0.00 C ATOM 910 CD PRO A 65 -17.237 1.663 2.531 1.00 0.00 C ATOM 0 HA PRO A 65 -15.722 -0.442 4.412 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -18.503 -0.876 4.242 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -17.823 0.488 5.106 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.948 0.382 2.319 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -19.135 1.629 3.536 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -17.397 1.944 1.490 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -17.029 2.581 3.081 1.00 0.00 H new ATOM 918 N ASP A 66 -16.173 -1.839 1.684 1.00 0.00 N ATOM 919 CA ASP A 66 -16.160 -3.111 0.975 1.00 0.00 C ATOM 920 C ASP A 66 -14.777 -3.743 1.048 1.00 0.00 C ATOM 921 O ASP A 66 -14.622 -4.873 1.514 1.00 0.00 O ATOM 922 CB ASP A 66 -16.572 -2.914 -0.485 1.00 0.00 C ATOM 923 CG ASP A 66 -17.896 -2.186 -0.618 1.00 0.00 C ATOM 924 OD1 ASP A 66 -17.956 -0.993 -0.251 1.00 0.00 O ATOM 925 OD2 ASP A 66 -18.872 -2.807 -1.089 1.00 0.00 O ATOM 0 H ASP A 66 -15.917 -1.035 1.112 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.877 -3.779 1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.797 -2.352 -1.006 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.644 -3.886 -0.974 1.00 0.00 H new ATOM 930 N GLU A 67 -13.769 -3.003 0.596 1.00 0.00 N ATOM 931 CA GLU A 67 -12.396 -3.495 0.625 1.00 0.00 C ATOM 932 C GLU A 67 -12.090 -4.096 1.990 1.00 0.00 C ATOM 933 O GLU A 67 -11.466 -5.152 2.094 1.00 0.00 O ATOM 934 CB GLU A 67 -11.414 -2.364 0.320 1.00 0.00 C ATOM 935 CG GLU A 67 -9.990 -2.666 0.757 1.00 0.00 C ATOM 936 CD GLU A 67 -9.733 -2.294 2.205 1.00 0.00 C ATOM 937 OE1 GLU A 67 -10.035 -1.144 2.586 1.00 0.00 O ATOM 938 OE2 GLU A 67 -9.229 -3.155 2.956 1.00 0.00 O ATOM 0 H GLU A 67 -13.876 -2.066 0.207 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.286 -4.265 -0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.423 -2.165 -0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.753 -1.455 0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.789 -3.728 0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.295 -2.123 0.117 1.00 0.00 H new ATOM 945 N ASN A 68 -12.544 -3.414 3.035 1.00 0.00 N ATOM 946 CA ASN A 68 -12.335 -3.871 4.402 1.00 0.00 C ATOM 947 C ASN A 68 -13.182 -5.107 4.687 1.00 0.00 C ATOM 948 O ASN A 68 -12.777 -5.989 5.444 1.00 0.00 O ATOM 949 CB ASN A 68 -12.690 -2.758 5.390 1.00 0.00 C ATOM 950 CG ASN A 68 -12.881 -3.275 6.802 1.00 0.00 C ATOM 951 OD1 ASN A 68 -13.932 -3.076 7.411 1.00 0.00 O ATOM 952 ND2 ASN A 68 -11.863 -3.943 7.331 1.00 0.00 N ATOM 0 H ASN A 68 -13.062 -2.538 2.960 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.283 -4.132 4.522 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.900 -2.007 5.385 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.603 -2.262 5.061 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.934 -4.314 8.278 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.010 -4.085 6.790 1.00 0.00 H new ATOM 959 N ASP A 69 -14.360 -5.161 4.074 1.00 0.00 N ATOM 960 CA ASP A 69 -15.270 -6.285 4.260 1.00 0.00 C ATOM 961 C ASP A 69 -14.859 -7.476 3.398 1.00 0.00 C ATOM 962 O ASP A 69 -15.020 -8.629 3.799 1.00 0.00 O ATOM 963 CB ASP A 69 -16.704 -5.868 3.923 1.00 0.00 C ATOM 964 CG ASP A 69 -17.699 -6.991 4.143 1.00 0.00 C ATOM 965 OD1 ASP A 69 -17.651 -7.622 5.220 1.00 0.00 O ATOM 966 OD2 ASP A 69 -18.525 -7.238 3.240 1.00 0.00 O ATOM 0 H ASP A 69 -14.707 -4.438 3.443 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.220 -6.587 5.306 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.984 -5.012 4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -16.750 -5.543 2.883 1.00 0.00 H new ATOM 971 N LEU A 70 -14.331 -7.192 2.211 1.00 0.00 N ATOM 972 CA LEU A 70 -13.901 -8.243 1.297 1.00 0.00 C ATOM 973 C LEU A 70 -12.799 -9.096 1.919 1.00 0.00 C ATOM 974 O LEU A 70 -12.774 -10.316 1.748 1.00 0.00 O ATOM 975 CB LEU A 70 -13.406 -7.634 -0.017 1.00 0.00 C ATOM 976 CG LEU A 70 -13.169 -8.638 -1.146 1.00 0.00 C ATOM 977 CD1 LEU A 70 -13.514 -8.021 -2.491 1.00 0.00 C ATOM 978 CD2 LEU A 70 -11.726 -9.123 -1.132 1.00 0.00 C ATOM 0 H LEU A 70 -14.191 -6.244 1.861 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.760 -8.884 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.133 -6.896 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.475 -7.100 0.175 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.822 -9.496 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.339 -8.751 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -14.563 -7.724 -2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.888 -7.145 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.574 -9.837 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.056 -8.274 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.514 -9.606 -0.178 1.00 0.00 H new ATOM 990 N LEU A 71 -11.891 -8.449 2.641 1.00 0.00 N ATOM 991 CA LEU A 71 -10.787 -9.149 3.287 1.00 0.00 C ATOM 992 C LEU A 71 -11.229 -9.766 4.610 1.00 0.00 C ATOM 993 O LEU A 71 -10.838 -10.884 4.948 1.00 0.00 O ATOM 994 CB LEU A 71 -9.617 -8.190 3.522 1.00 0.00 C ATOM 995 CG LEU A 71 -8.454 -8.333 2.538 1.00 0.00 C ATOM 996 CD1 LEU A 71 -8.956 -8.272 1.102 1.00 0.00 C ATOM 997 CD2 LEU A 71 -7.411 -7.253 2.785 1.00 0.00 C ATOM 0 H LEU A 71 -11.898 -7.441 2.794 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.463 -9.953 2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.990 -7.167 3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.239 -8.344 4.533 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.988 -9.305 2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.114 -8.375 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.665 -9.082 0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.449 -7.315 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.591 -7.370 2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.866 -6.271 2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.028 -7.343 3.801 1.00 0.00 H new ATOM 1009 N GLN A 72 -12.044 -9.030 5.357 1.00 0.00 N ATOM 1010 CA GLN A 72 -12.538 -9.504 6.645 1.00 0.00 C ATOM 1011 C GLN A 72 -13.260 -10.840 6.496 1.00 0.00 C ATOM 1012 O GLN A 72 -13.327 -11.629 7.439 1.00 0.00 O ATOM 1013 CB GLN A 72 -13.478 -8.470 7.267 1.00 0.00 C ATOM 1014 CG GLN A 72 -12.781 -7.497 8.202 1.00 0.00 C ATOM 1015 CD GLN A 72 -13.137 -7.733 9.657 1.00 0.00 C ATOM 1016 OE1 GLN A 72 -13.432 -6.794 10.396 1.00 0.00 O ATOM 1017 NE2 GLN A 72 -13.111 -8.994 10.074 1.00 0.00 N ATOM 0 H GLN A 72 -12.377 -8.103 5.093 1.00 0.00 H new ATOM 0 HA GLN A 72 -11.680 -9.648 7.302 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -13.965 -7.909 6.470 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -14.263 -8.989 7.817 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.702 -7.587 8.076 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -13.050 -6.477 7.926 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.861 -9.741 9.426 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.342 -9.216 11.043 1.00 0.00 H new ATOM 1026 N SER A 73 -13.799 -11.088 5.307 1.00 0.00 N ATOM 1027 CA SER A 73 -14.515 -12.329 5.037 1.00 0.00 C ATOM 1028 C SER A 73 -13.542 -13.480 4.804 1.00 0.00 C ATOM 1029 O SER A 73 -13.928 -14.649 4.838 1.00 0.00 O ATOM 1030 CB SER A 73 -15.425 -12.164 3.819 1.00 0.00 C ATOM 1031 OG SER A 73 -16.353 -13.232 3.726 1.00 0.00 O ATOM 0 H SER A 73 -13.754 -10.446 4.515 1.00 0.00 H new ATOM 0 HA SER A 73 -15.125 -12.562 5.910 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.961 -11.217 3.887 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.821 -12.123 2.913 1.00 0.00 H new ATOM 0 HG SER A 73 -15.978 -14.030 4.154 1.00 0.00 H new ATOM 1037 N THR A 74 -12.278 -13.141 4.569 1.00 0.00 N ATOM 1038 CA THR A 74 -11.249 -14.148 4.331 1.00 0.00 C ATOM 1039 C THR A 74 -10.828 -14.814 5.636 1.00 0.00 C ATOM 1040 O THR A 74 -10.592 -16.022 5.680 1.00 0.00 O ATOM 1041 CB THR A 74 -10.033 -13.515 3.653 1.00 0.00 C ATOM 1042 OG1 THR A 74 -9.309 -12.712 4.568 1.00 0.00 O ATOM 1043 CG2 THR A 74 -10.390 -12.648 2.464 1.00 0.00 C ATOM 0 H THR A 74 -11.942 -12.178 4.538 1.00 0.00 H new ATOM 0 HA THR A 74 -11.667 -14.910 3.673 1.00 0.00 H new ATOM 0 HB THR A 74 -9.432 -14.354 3.301 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.936 -12.209 5.129 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.480 -12.231 2.032 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.904 -13.251 1.716 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.042 -11.837 2.788 1.00 0.00 H new ATOM 1051 N GLY A 75 -10.737 -14.021 6.699 1.00 0.00 N ATOM 1052 CA GLY A 75 -10.346 -14.555 7.990 1.00 0.00 C ATOM 1053 C GLY A 75 -8.843 -14.695 8.131 1.00 0.00 C ATOM 1054 O GLY A 75 -8.359 -15.568 8.852 1.00 0.00 O ATOM 0 H GLY A 75 -10.927 -13.019 6.689 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.722 -13.903 8.778 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.813 -15.529 8.133 1.00 0.00 H new ATOM 1058 N GLU A 76 -8.102 -13.834 7.441 1.00 0.00 N ATOM 1059 CA GLU A 76 -6.647 -13.866 7.495 1.00 0.00 C ATOM 1060 C GLU A 76 -6.119 -12.831 8.484 1.00 0.00 C ATOM 1061 O GLU A 76 -6.802 -11.856 8.802 1.00 0.00 O ATOM 1062 CB GLU A 76 -6.057 -13.607 6.107 1.00 0.00 C ATOM 1063 CG GLU A 76 -6.726 -14.407 5.000 1.00 0.00 C ATOM 1064 CD GLU A 76 -5.979 -15.684 4.668 1.00 0.00 C ATOM 1065 OE1 GLU A 76 -4.747 -15.722 4.877 1.00 0.00 O ATOM 1066 OE2 GLU A 76 -6.624 -16.645 4.200 1.00 0.00 O ATOM 0 H GLU A 76 -8.486 -13.106 6.838 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.342 -14.857 7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.142 -12.545 5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.993 -13.845 6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.744 -14.654 5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.799 -13.790 4.104 1.00 0.00 H new ATOM 1073 N PRO A 77 -4.892 -13.033 8.984 1.00 0.00 N ATOM 1074 CA PRO A 77 -4.265 -12.117 9.942 1.00 0.00 C ATOM 1075 C PRO A 77 -4.344 -10.663 9.488 1.00 0.00 C ATOM 1076 O PRO A 77 -4.127 -10.358 8.315 1.00 0.00 O ATOM 1077 CB PRO A 77 -2.811 -12.586 9.976 1.00 0.00 C ATOM 1078 CG PRO A 77 -2.869 -14.029 9.612 1.00 0.00 C ATOM 1079 CD PRO A 77 -4.019 -14.174 8.651 1.00 0.00 C ATOM 0 HA PRO A 77 -4.759 -12.140 10.913 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.198 -12.025 9.271 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.372 -12.444 10.964 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.935 -14.352 9.153 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.020 -14.648 10.496 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.684 -14.134 7.615 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.534 -15.125 8.782 1.00 0.00 H new ATOM 1087 N MET A 78 -4.655 -9.768 10.421 1.00 0.00 N ATOM 1088 CA MET A 78 -4.758 -8.347 10.108 1.00 0.00 C ATOM 1089 C MET A 78 -3.833 -7.521 10.995 1.00 0.00 C ATOM 1090 O MET A 78 -3.359 -7.992 12.029 1.00 0.00 O ATOM 1091 CB MET A 78 -6.201 -7.869 10.276 1.00 0.00 C ATOM 1092 CG MET A 78 -7.196 -8.622 9.407 1.00 0.00 C ATOM 1093 SD MET A 78 -8.790 -7.788 9.294 1.00 0.00 S ATOM 1094 CE MET A 78 -8.390 -6.447 8.176 1.00 0.00 C ATOM 0 H MET A 78 -4.839 -10.001 11.397 1.00 0.00 H new ATOM 0 HA MET A 78 -4.453 -8.210 9.071 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.491 -7.975 11.321 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.253 -6.807 10.037 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.781 -8.741 8.406 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.342 -9.623 9.813 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.310 -6.014 7.783 1.00 0.00 H new ATOM 0 HE2 MET A 78 -7.829 -5.682 8.712 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.787 -6.828 7.352 1.00 0.00 H new ATOM 1104 N THR A 79 -3.582 -6.283 10.581 1.00 0.00 N ATOM 1105 CA THR A 79 -2.719 -5.381 11.333 1.00 0.00 C ATOM 1106 C THR A 79 -3.257 -3.955 11.276 1.00 0.00 C ATOM 1107 O THR A 79 -4.363 -3.720 10.791 1.00 0.00 O ATOM 1108 CB THR A 79 -1.294 -5.427 10.782 1.00 0.00 C ATOM 1109 OG1 THR A 79 -1.273 -5.062 9.414 1.00 0.00 O ATOM 1110 CG2 THR A 79 -0.649 -6.792 10.901 1.00 0.00 C ATOM 0 H THR A 79 -3.966 -5.881 9.726 1.00 0.00 H new ATOM 0 HA THR A 79 -2.705 -5.706 12.373 1.00 0.00 H new ATOM 0 HB THR A 79 -0.728 -4.720 11.389 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.172 -4.789 9.134 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.360 -6.754 10.491 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.604 -7.083 11.950 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.238 -7.522 10.347 1.00 0.00 H new ATOM 1118 N ALA A 80 -2.472 -3.004 11.775 1.00 0.00 N ATOM 1119 CA ALA A 80 -2.880 -1.604 11.776 1.00 0.00 C ATOM 1120 C ALA A 80 -2.464 -0.908 10.486 1.00 0.00 C ATOM 1121 O ALA A 80 -1.289 -0.905 10.121 1.00 0.00 O ATOM 1122 CB ALA A 80 -2.291 -0.882 12.977 1.00 0.00 C ATOM 0 H ALA A 80 -1.553 -3.177 12.182 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.967 -1.571 11.842 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.605 0.162 12.964 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.642 -1.355 13.894 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.203 -0.935 12.936 1.00 0.00 H new ATOM 1128 N GLY A 81 -3.438 -0.317 9.803 1.00 0.00 N ATOM 1129 CA GLY A 81 -3.156 0.378 8.563 1.00 0.00 C ATOM 1130 C GLY A 81 -3.203 -0.541 7.359 1.00 0.00 C ATOM 1131 O GLY A 81 -2.888 -0.130 6.243 1.00 0.00 O ATOM 0 H GLY A 81 -4.418 -0.307 10.087 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.878 1.184 8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.171 0.840 8.625 1.00 0.00 H new ATOM 1135 N THR A 82 -3.598 -1.789 7.586 1.00 0.00 N ATOM 1136 CA THR A 82 -3.686 -2.767 6.510 1.00 0.00 C ATOM 1137 C THR A 82 -4.737 -2.357 5.485 1.00 0.00 C ATOM 1138 O THR A 82 -5.882 -2.070 5.835 1.00 0.00 O ATOM 1139 CB THR A 82 -4.017 -4.150 7.070 1.00 0.00 C ATOM 1140 OG1 THR A 82 -3.735 -4.213 8.456 1.00 0.00 O ATOM 1141 CG2 THR A 82 -3.247 -5.261 6.390 1.00 0.00 C ATOM 0 H THR A 82 -3.862 -2.146 8.504 1.00 0.00 H new ATOM 0 HA THR A 82 -2.716 -2.808 6.014 1.00 0.00 H new ATOM 0 HB THR A 82 -5.081 -4.295 6.882 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.514 -3.902 8.963 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.525 -6.219 6.831 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.483 -5.269 5.326 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.178 -5.097 6.523 1.00 0.00 H new ATOM 1149 N ARG A 83 -4.338 -2.328 4.218 1.00 0.00 N ATOM 1150 CA ARG A 83 -5.244 -1.947 3.141 1.00 0.00 C ATOM 1151 C ARG A 83 -4.619 -2.238 1.781 1.00 0.00 C ATOM 1152 O ARG A 83 -3.400 -2.174 1.622 1.00 0.00 O ATOM 1153 CB ARG A 83 -5.592 -0.462 3.253 1.00 0.00 C ATOM 1154 CG ARG A 83 -6.972 -0.113 2.722 1.00 0.00 C ATOM 1155 CD ARG A 83 -7.027 1.329 2.247 1.00 0.00 C ATOM 1156 NE ARG A 83 -7.633 1.451 0.924 1.00 0.00 N ATOM 1157 CZ ARG A 83 -7.185 0.825 -0.156 1.00 0.00 C ATOM 1158 NH1 ARG A 83 -6.126 0.033 -0.075 1.00 0.00 N ATOM 1159 NH2 ARG A 83 -7.792 0.998 -1.322 1.00 0.00 N ATOM 0 H ARG A 83 -3.394 -2.564 3.912 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.157 -2.536 3.232 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.529 -0.162 4.299 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.846 0.118 2.709 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.228 -0.780 1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.716 -0.270 3.503 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.596 1.924 2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.018 1.740 2.222 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.450 2.054 0.825 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.653 -0.096 0.819 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.784 -0.447 -0.907 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.603 1.612 -1.388 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.448 0.517 -2.153 1.00 0.00 H new ATOM 1173 N LEU A 84 -5.459 -2.558 0.802 1.00 0.00 N ATOM 1174 CA LEU A 84 -4.981 -2.858 -0.543 1.00 0.00 C ATOM 1175 C LEU A 84 -3.901 -1.866 -0.964 1.00 0.00 C ATOM 1176 O LEU A 84 -3.883 -0.722 -0.510 1.00 0.00 O ATOM 1177 CB LEU A 84 -6.144 -2.834 -1.538 1.00 0.00 C ATOM 1178 CG LEU A 84 -7.098 -4.024 -1.443 1.00 0.00 C ATOM 1179 CD1 LEU A 84 -7.975 -4.106 -2.682 1.00 0.00 C ATOM 1180 CD2 LEU A 84 -6.319 -5.317 -1.251 1.00 0.00 C ATOM 0 H LEU A 84 -6.471 -2.616 0.914 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.546 -3.857 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.714 -1.917 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.737 -2.793 -2.549 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.743 -3.880 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.647 -4.959 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.560 -3.191 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.347 -4.226 -3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.014 -6.154 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.649 -5.467 -2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.735 -5.257 -0.332 1.00 0.00 H new ATOM 1192 N SER A 85 -2.992 -2.311 -1.823 1.00 0.00 N ATOM 1193 CA SER A 85 -1.905 -1.458 -2.289 1.00 0.00 C ATOM 1194 C SER A 85 -2.274 -0.735 -3.582 1.00 0.00 C ATOM 1195 O SER A 85 -2.475 0.479 -3.590 1.00 0.00 O ATOM 1196 CB SER A 85 -0.638 -2.291 -2.500 1.00 0.00 C ATOM 1197 OG SER A 85 -0.178 -2.194 -3.837 1.00 0.00 O ATOM 0 H SER A 85 -2.985 -3.255 -2.210 1.00 0.00 H new ATOM 0 HA SER A 85 -1.721 -0.704 -1.524 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.142 -1.951 -1.819 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.841 -3.334 -2.257 1.00 0.00 H new ATOM 0 HG SER A 85 0.633 -2.734 -3.944 1.00 0.00 H new ATOM 1203 N CYS A 86 -2.346 -1.489 -4.671 1.00 0.00 N ATOM 1204 CA CYS A 86 -2.670 -0.930 -5.980 1.00 0.00 C ATOM 1205 C CYS A 86 -4.037 -0.251 -5.988 1.00 0.00 C ATOM 1206 O CYS A 86 -4.334 0.548 -6.877 1.00 0.00 O ATOM 1207 CB CYS A 86 -2.635 -2.029 -7.043 1.00 0.00 C ATOM 1208 SG CYS A 86 -4.199 -2.953 -7.213 1.00 0.00 S ATOM 0 H CYS A 86 -2.183 -2.496 -4.675 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.920 -0.173 -6.207 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -2.384 -1.581 -8.005 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.836 -2.730 -6.799 1.00 0.00 H new ATOM 0 HG CYS A 86 -4.077 -3.844 -8.152 1.00 0.00 H new ATOM 1213 N GLN A 87 -4.873 -0.580 -5.012 1.00 0.00 N ATOM 1214 CA GLN A 87 -6.212 -0.006 -4.935 1.00 0.00 C ATOM 1215 C GLN A 87 -6.187 1.426 -4.402 1.00 0.00 C ATOM 1216 O GLN A 87 -7.189 2.136 -4.478 1.00 0.00 O ATOM 1217 CB GLN A 87 -7.118 -0.877 -4.063 1.00 0.00 C ATOM 1218 CG GLN A 87 -8.555 -0.382 -4.000 1.00 0.00 C ATOM 1219 CD GLN A 87 -9.315 -0.640 -5.287 1.00 0.00 C ATOM 1220 OE1 GLN A 87 -9.399 -1.776 -5.754 1.00 0.00 O ATOM 1221 NE2 GLN A 87 -9.873 0.416 -5.869 1.00 0.00 N ATOM 0 H GLN A 87 -4.650 -1.238 -4.265 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.612 0.024 -5.948 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.110 -1.897 -4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.710 -0.915 -3.053 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -9.069 -0.873 -3.174 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.559 0.687 -3.788 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.779 1.340 -5.447 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.396 0.303 -6.737 1.00 0.00 H new ATOM 1230 N VAL A 88 -5.047 1.853 -3.866 1.00 0.00 N ATOM 1231 CA VAL A 88 -4.920 3.197 -3.335 1.00 0.00 C ATOM 1232 C VAL A 88 -4.203 4.103 -4.322 1.00 0.00 C ATOM 1233 O VAL A 88 -3.539 3.625 -5.238 1.00 0.00 O ATOM 1234 CB VAL A 88 -4.145 3.195 -2.015 1.00 0.00 C ATOM 1235 CG1 VAL A 88 -3.874 4.617 -1.579 1.00 0.00 C ATOM 1236 CG2 VAL A 88 -4.910 2.428 -0.955 1.00 0.00 C ATOM 0 H VAL A 88 -4.203 1.286 -3.790 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.928 3.572 -3.162 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.188 2.694 -2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.322 4.610 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.285 5.126 -2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.819 5.142 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.346 2.436 -0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.881 2.897 -0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.054 1.399 -1.284 1.00 0.00 H new ATOM 1246 N PHE A 89 -4.342 5.414 -4.151 1.00 0.00 N ATOM 1247 CA PHE A 89 -3.692 6.343 -5.064 1.00 0.00 C ATOM 1248 C PHE A 89 -3.412 7.701 -4.452 1.00 0.00 C ATOM 1249 O PHE A 89 -4.219 8.263 -3.710 1.00 0.00 O ATOM 1250 CB PHE A 89 -4.531 6.487 -6.315 1.00 0.00 C ATOM 1251 CG PHE A 89 -4.854 5.154 -6.885 1.00 0.00 C ATOM 1252 CD1 PHE A 89 -5.977 4.465 -6.460 1.00 0.00 C ATOM 1253 CD2 PHE A 89 -4.015 4.572 -7.820 1.00 0.00 C ATOM 1254 CE1 PHE A 89 -6.270 3.213 -6.968 1.00 0.00 C ATOM 1255 CE2 PHE A 89 -4.296 3.317 -8.335 1.00 0.00 C ATOM 1256 CZ PHE A 89 -5.429 2.635 -7.908 1.00 0.00 C ATOM 0 H PHE A 89 -4.886 5.848 -3.406 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.717 5.921 -5.308 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.452 7.022 -6.082 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.994 7.083 -7.053 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.631 4.910 -5.724 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.134 5.101 -8.151 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.152 2.686 -6.634 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.637 2.871 -9.065 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.654 1.657 -8.307 1.00 0.00 H new ATOM 1266 N ILE A 90 -2.237 8.205 -4.790 1.00 0.00 N ATOM 1267 CA ILE A 90 -1.754 9.489 -4.324 1.00 0.00 C ATOM 1268 C ILE A 90 -2.679 10.643 -4.719 1.00 0.00 C ATOM 1269 O ILE A 90 -3.490 10.528 -5.637 1.00 0.00 O ATOM 1270 CB ILE A 90 -0.348 9.715 -4.901 1.00 0.00 C ATOM 1271 CG1 ILE A 90 0.611 8.688 -4.316 1.00 0.00 C ATOM 1272 CG2 ILE A 90 0.163 11.107 -4.611 1.00 0.00 C ATOM 1273 CD1 ILE A 90 1.344 9.200 -3.095 1.00 0.00 C ATOM 0 H ILE A 90 -1.583 7.723 -5.407 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.728 9.472 -3.234 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.409 9.602 -5.983 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.055 7.789 -4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.337 8.401 -5.076 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.160 11.225 -5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.510 11.841 -5.054 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.208 11.261 -3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.013 8.425 -2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.924 10.083 -3.363 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.623 9.461 -2.321 1.00 0.00 H new ATOM 1285 N ASP A 91 -2.536 11.756 -4.000 1.00 0.00 N ATOM 1286 CA ASP A 91 -3.312 12.957 -4.207 1.00 0.00 C ATOM 1287 C ASP A 91 -2.799 13.965 -3.186 1.00 0.00 C ATOM 1288 O ASP A 91 -2.062 13.578 -2.281 1.00 0.00 O ATOM 1289 CB ASP A 91 -4.807 12.650 -4.007 1.00 0.00 C ATOM 1290 CG ASP A 91 -5.344 13.108 -2.662 1.00 0.00 C ATOM 1291 OD1 ASP A 91 -5.223 12.343 -1.684 1.00 0.00 O ATOM 1292 OD2 ASP A 91 -5.891 14.228 -2.592 1.00 0.00 O ATOM 0 H ASP A 91 -1.859 11.839 -3.242 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.208 13.352 -5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.378 13.132 -4.801 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.966 11.576 -4.106 1.00 0.00 H new ATOM 1297 N PRO A 92 -3.154 15.246 -3.281 1.00 0.00 N ATOM 1298 CA PRO A 92 -2.698 16.264 -2.323 1.00 0.00 C ATOM 1299 C PRO A 92 -3.254 16.006 -0.925 1.00 0.00 C ATOM 1300 O PRO A 92 -3.738 16.911 -0.245 1.00 0.00 O ATOM 1301 CB PRO A 92 -3.236 17.576 -2.910 1.00 0.00 C ATOM 1302 CG PRO A 92 -3.572 17.247 -4.329 1.00 0.00 C ATOM 1303 CD PRO A 92 -4.008 15.812 -4.312 1.00 0.00 C ATOM 0 HA PRO A 92 -1.615 16.271 -2.198 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.114 17.923 -2.365 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.491 18.370 -2.853 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.364 17.894 -4.705 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.709 17.388 -4.980 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.065 15.710 -4.067 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.857 15.329 -5.277 1.00 0.00 H new ATOM 1311 N SER A 93 -3.177 14.744 -0.526 1.00 0.00 N ATOM 1312 CA SER A 93 -3.653 14.277 0.765 1.00 0.00 C ATOM 1313 C SER A 93 -2.704 13.205 1.306 1.00 0.00 C ATOM 1314 O SER A 93 -2.452 13.119 2.508 1.00 0.00 O ATOM 1315 CB SER A 93 -5.044 13.672 0.595 1.00 0.00 C ATOM 1316 OG SER A 93 -4.986 12.255 0.624 1.00 0.00 O ATOM 0 H SER A 93 -2.775 14.004 -1.102 1.00 0.00 H new ATOM 0 HA SER A 93 -3.692 15.114 1.462 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.700 14.030 1.389 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.476 14.003 -0.349 1.00 0.00 H new ATOM 0 HG SER A 93 -4.793 11.917 -0.275 1.00 0.00 H new ATOM 1322 N MET A 94 -2.192 12.390 0.384 1.00 0.00 N ATOM 1323 CA MET A 94 -1.280 11.307 0.693 1.00 0.00 C ATOM 1324 C MET A 94 0.098 11.633 0.148 1.00 0.00 C ATOM 1325 O MET A 94 0.767 10.785 -0.441 1.00 0.00 O ATOM 1326 CB MET A 94 -1.797 10.024 0.049 1.00 0.00 C ATOM 1327 CG MET A 94 -3.102 9.536 0.646 1.00 0.00 C ATOM 1328 SD MET A 94 -4.492 9.710 -0.488 1.00 0.00 S ATOM 1329 CE MET A 94 -4.689 8.019 -1.040 1.00 0.00 C ATOM 0 H MET A 94 -2.407 12.471 -0.610 1.00 0.00 H new ATOM 0 HA MET A 94 -1.215 11.175 1.773 1.00 0.00 H new ATOM 0 HB2 MET A 94 -1.935 10.192 -1.019 1.00 0.00 H new ATOM 0 HB3 MET A 94 -1.043 9.244 0.154 1.00 0.00 H new ATOM 0 HG2 MET A 94 -2.998 8.489 0.929 1.00 0.00 H new ATOM 0 HG3 MET A 94 -3.311 10.094 1.559 1.00 0.00 H new ATOM 0 HE1 MET A 94 -5.289 8.001 -1.950 1.00 0.00 H new ATOM 0 HE2 MET A 94 -3.709 7.586 -1.242 1.00 0.00 H new ATOM 0 HE3 MET A 94 -5.189 7.439 -0.264 1.00 0.00 H new ATOM 1339 N ASP A 95 0.506 12.878 0.336 1.00 0.00 N ATOM 1340 CA ASP A 95 1.769 13.341 -0.136 1.00 0.00 C ATOM 1341 C ASP A 95 2.823 13.103 0.920 1.00 0.00 C ATOM 1342 O ASP A 95 2.663 13.503 2.070 1.00 0.00 O ATOM 1343 CB ASP A 95 1.666 14.823 -0.505 1.00 0.00 C ATOM 1344 CG ASP A 95 0.260 15.218 -0.904 1.00 0.00 C ATOM 1345 OD1 ASP A 95 -0.154 14.860 -2.026 1.00 0.00 O ATOM 1346 OD2 ASP A 95 -0.424 15.886 -0.099 1.00 0.00 O ATOM 0 H ASP A 95 -0.043 13.586 0.824 1.00 0.00 H new ATOM 0 HA ASP A 95 2.059 12.790 -1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.985 15.429 0.343 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.349 15.039 -1.327 1.00 0.00 H new ATOM 1351 N GLY A 96 3.867 12.395 0.538 1.00 0.00 N ATOM 1352 CA GLY A 96 4.893 12.046 1.488 1.00 0.00 C ATOM 1353 C GLY A 96 4.457 10.814 2.227 1.00 0.00 C ATOM 1354 O GLY A 96 4.690 10.676 3.416 1.00 0.00 O ATOM 0 H GLY A 96 4.023 12.056 -0.411 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.838 11.866 0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.059 12.867 2.185 1.00 0.00 H new ATOM 1358 N LEU A 97 3.778 9.942 1.478 1.00 0.00 N ATOM 1359 CA LEU A 97 3.220 8.691 1.987 1.00 0.00 C ATOM 1360 C LEU A 97 4.282 7.702 2.427 1.00 0.00 C ATOM 1361 O LEU A 97 5.271 7.470 1.740 1.00 0.00 O ATOM 1362 CB LEU A 97 2.378 8.035 0.888 1.00 0.00 C ATOM 1363 CG LEU A 97 0.978 7.597 1.288 1.00 0.00 C ATOM 1364 CD1 LEU A 97 0.317 8.679 2.109 1.00 0.00 C ATOM 1365 CD2 LEU A 97 0.159 7.282 0.048 1.00 0.00 C ATOM 0 H LEU A 97 3.599 10.090 0.485 1.00 0.00 H new ATOM 0 HA LEU A 97 2.620 8.944 2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.294 8.735 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.917 7.163 0.517 1.00 0.00 H new ATOM 0 HG LEU A 97 1.041 6.694 1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.686 8.359 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.906 8.865 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.253 9.594 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.842 6.969 0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.091 8.171 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.640 6.479 -0.511 1.00 0.00 H new ATOM 1377 N ILE A 98 4.042 7.096 3.571 1.00 0.00 N ATOM 1378 CA ILE A 98 4.958 6.098 4.099 1.00 0.00 C ATOM 1379 C ILE A 98 4.311 4.737 4.070 1.00 0.00 C ATOM 1380 O ILE A 98 3.356 4.470 4.797 1.00 0.00 O ATOM 1381 CB ILE A 98 5.421 6.371 5.543 1.00 0.00 C ATOM 1382 CG1 ILE A 98 5.994 7.775 5.682 1.00 0.00 C ATOM 1383 CG2 ILE A 98 6.442 5.331 5.976 1.00 0.00 C ATOM 1384 CD1 ILE A 98 5.077 8.815 5.116 1.00 0.00 C ATOM 0 H ILE A 98 3.224 7.274 4.154 1.00 0.00 H new ATOM 0 HA ILE A 98 5.837 6.144 3.456 1.00 0.00 H new ATOM 0 HB ILE A 98 4.551 6.300 6.196 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.178 7.989 6.735 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.957 7.825 5.173 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.760 5.537 6.998 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.993 4.339 5.928 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.306 5.371 5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.526 9.801 5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.914 8.618 4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 98 4.123 8.784 5.642 1.00 0.00 H new ATOM 1396 N VAL A 99 4.835 3.881 3.224 1.00 0.00 N ATOM 1397 CA VAL A 99 4.317 2.550 3.086 1.00 0.00 C ATOM 1398 C VAL A 99 5.155 1.535 3.846 1.00 0.00 C ATOM 1399 O VAL A 99 6.166 1.889 4.439 1.00 0.00 O ATOM 1400 CB VAL A 99 4.209 2.140 1.627 1.00 0.00 C ATOM 1401 CG1 VAL A 99 2.914 1.394 1.442 1.00 0.00 C ATOM 1402 CG2 VAL A 99 4.278 3.357 0.713 1.00 0.00 C ATOM 0 H VAL A 99 5.628 4.091 2.617 1.00 0.00 H new ATOM 0 HA VAL A 99 3.317 2.562 3.519 1.00 0.00 H new ATOM 0 HB VAL A 99 5.046 1.495 1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.815 1.089 0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.909 0.510 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.079 2.041 1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.199 3.037 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.457 4.035 0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.227 3.871 0.863 1.00 0.00 H new ATOM 1412 N ARG A 100 4.718 0.275 3.822 1.00 0.00 N ATOM 1413 CA ARG A 100 5.420 -0.817 4.505 1.00 0.00 C ATOM 1414 C ARG A 100 4.876 -2.170 4.044 1.00 0.00 C ATOM 1415 O ARG A 100 3.674 -2.316 3.823 1.00 0.00 O ATOM 1416 CB ARG A 100 5.268 -0.709 6.030 1.00 0.00 C ATOM 1417 CG ARG A 100 5.292 0.713 6.569 1.00 0.00 C ATOM 1418 CD ARG A 100 5.118 0.737 8.079 1.00 0.00 C ATOM 1419 NE ARG A 100 6.380 0.499 8.775 1.00 0.00 N ATOM 1420 CZ ARG A 100 6.522 0.582 10.093 1.00 0.00 C ATOM 1421 NH1 ARG A 100 5.481 0.885 10.856 1.00 0.00 N ATOM 1422 NH2 ARG A 100 7.704 0.358 10.651 1.00 0.00 N ATOM 0 H ARG A 100 3.873 -0.018 3.332 1.00 0.00 H new ATOM 0 HA ARG A 100 6.477 -0.738 4.250 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.329 -1.179 6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.069 -1.277 6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.236 1.189 6.302 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.498 1.295 6.100 1.00 0.00 H new ATOM 0 HD2 ARG A 100 4.712 1.702 8.383 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.392 -0.021 8.373 1.00 0.00 H new ATOM 0 HE ARG A 100 7.199 0.255 8.217 1.00 0.00 H new ATOM 0 HH11 ARG A 100 4.569 1.055 10.431 1.00 0.00 H new ATOM 0 HH12 ARG A 100 5.592 0.948 11.868 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.507 0.121 10.068 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.810 0.422 11.663 1.00 0.00 H new ATOM 1436 N VAL A 101 5.755 -3.164 3.904 1.00 0.00 N ATOM 1437 CA VAL A 101 5.330 -4.492 3.475 1.00 0.00 C ATOM 1438 C VAL A 101 5.150 -5.422 4.674 1.00 0.00 C ATOM 1439 O VAL A 101 5.961 -5.416 5.600 1.00 0.00 O ATOM 1440 CB VAL A 101 6.338 -5.127 2.501 1.00 0.00 C ATOM 1441 CG1 VAL A 101 5.926 -6.552 2.161 1.00 0.00 C ATOM 1442 CG2 VAL A 101 6.468 -4.285 1.240 1.00 0.00 C ATOM 0 H VAL A 101 6.756 -3.074 4.080 1.00 0.00 H new ATOM 0 HA VAL A 101 4.377 -4.364 2.962 1.00 0.00 H new ATOM 0 HB VAL A 101 7.313 -5.161 2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.650 -6.985 1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.892 -7.148 3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.941 -6.545 1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.185 -4.751 0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.498 -4.215 0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.814 -3.286 1.504 1.00 0.00 H new ATOM 1452 N PRO A 102 4.081 -6.234 4.671 1.00 0.00 N ATOM 1453 CA PRO A 102 3.794 -7.172 5.760 1.00 0.00 C ATOM 1454 C PRO A 102 4.831 -8.271 5.877 1.00 0.00 C ATOM 1455 O PRO A 102 5.943 -8.168 5.357 1.00 0.00 O ATOM 1456 CB PRO A 102 2.441 -7.785 5.387 1.00 0.00 C ATOM 1457 CG PRO A 102 1.890 -6.925 4.306 1.00 0.00 C ATOM 1458 CD PRO A 102 3.068 -6.306 3.610 1.00 0.00 C ATOM 0 HA PRO A 102 3.798 -6.659 6.722 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.559 -8.814 5.046 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.772 -7.808 6.247 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.293 -7.513 3.609 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.235 -6.157 4.717 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.406 -6.914 2.771 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.829 -5.319 3.213 1.00 0.00 H new