USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 942 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 84 SER OG : rot 101:sc= 0 USER MOD Set 1.2: A 88 THR OG1 : rot -6:sc= -0.58 USER MOD Set 2.1: A 36 SER OG : rot 173:sc= 0 USER MOD Set 2.2: A 38 TYR OH : rot 180:sc= -0.186 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -56:sc= 0.00457 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 12:sc= 0.795 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= 0.00795 (180deg=-0.459) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN :FLIP amide:sc=-0.00602 F(o=-0.75,f=-0.006) USER MOD Single : A 22 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.28) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.84 K(o=-0.84,f=-7.9!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= -0.175 (180deg=-0.87) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.032 K(o=-0.032,f=-0.93) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0.048 USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.364) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 180:sc= -1.58 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 15:sc= 0.168 USER MOD Single : A 95 THR OG1 : rot -21:sc= 0.851 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -1.15 K(o=-1.1,f=-3.2!) USER MOD Single : A 117 CYS SG : rot -23:sc= 0.126 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.631 -5.412 13.466 1.00 0.00 N ATOM 2 CA GLY A 1 -18.575 -3.968 13.343 1.00 0.00 C ATOM 3 C GLY A 1 -18.188 -3.290 14.642 1.00 0.00 C ATOM 4 O GLY A 1 -17.004 -3.092 14.918 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.900 -5.828 12.552 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.698 -5.773 13.750 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.336 -5.672 14.185 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.856 -3.700 12.569 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.547 -3.596 13.018 1.00 0.00 H new ATOM 8 N SER A 2 -19.187 -2.931 15.442 1.00 0.00 N ATOM 9 CA SER A 2 -18.945 -2.266 16.717 1.00 0.00 C ATOM 10 C SER A 2 -17.903 -1.162 16.565 1.00 0.00 C ATOM 11 O SER A 2 -17.021 -1.004 17.409 1.00 0.00 O ATOM 12 CB SER A 2 -18.480 -3.280 17.765 1.00 0.00 C ATOM 13 OG SER A 2 -18.712 -2.799 19.077 1.00 0.00 O ATOM 0 H SER A 2 -20.172 -3.090 15.230 1.00 0.00 H new ATOM 0 HA SER A 2 -19.881 -1.816 17.047 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.007 -4.223 17.622 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.418 -3.484 17.632 1.00 0.00 H new ATOM 0 HG SER A 2 -18.271 -1.931 19.190 1.00 0.00 H new ATOM 19 N SER A 3 -18.013 -0.399 15.481 1.00 0.00 N ATOM 20 CA SER A 3 -17.079 0.689 15.215 1.00 0.00 C ATOM 21 C SER A 3 -17.653 1.656 14.184 1.00 0.00 C ATOM 22 O SER A 3 -18.244 1.242 13.188 1.00 0.00 O ATOM 23 CB SER A 3 -15.743 0.132 14.720 1.00 0.00 C ATOM 24 OG SER A 3 -14.897 1.171 14.259 1.00 0.00 O ATOM 0 H SER A 3 -18.739 -0.514 14.774 1.00 0.00 H new ATOM 0 HA SER A 3 -16.916 1.232 16.146 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.251 -0.411 15.527 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.919 -0.582 13.915 1.00 0.00 H new ATOM 0 HG SER A 3 -14.049 0.789 13.950 1.00 0.00 H new ATOM 30 N GLY A 4 -17.473 2.950 14.432 1.00 0.00 N ATOM 31 CA GLY A 4 -17.978 3.958 13.517 1.00 0.00 C ATOM 32 C GLY A 4 -17.484 5.350 13.858 1.00 0.00 C ATOM 33 O GLY A 4 -18.249 6.188 14.334 1.00 0.00 O ATOM 0 H GLY A 4 -16.987 3.318 15.250 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.674 3.707 12.501 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.068 3.948 13.536 1.00 0.00 H new ATOM 37 N SER A 5 -16.200 5.597 13.616 1.00 0.00 N ATOM 38 CA SER A 5 -15.604 6.895 13.906 1.00 0.00 C ATOM 39 C SER A 5 -14.350 7.117 13.066 1.00 0.00 C ATOM 40 O SER A 5 -13.950 6.251 12.288 1.00 0.00 O ATOM 41 CB SER A 5 -15.260 7.002 15.393 1.00 0.00 C ATOM 42 OG SER A 5 -16.432 7.127 16.180 1.00 0.00 O ATOM 0 H SER A 5 -15.553 4.915 13.220 1.00 0.00 H new ATOM 0 HA SER A 5 -16.332 7.666 13.652 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.701 6.119 15.705 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.613 7.864 15.559 1.00 0.00 H new ATOM 0 HG SER A 5 -17.219 6.935 15.628 1.00 0.00 H new ATOM 48 N SER A 6 -13.735 8.284 13.228 1.00 0.00 N ATOM 49 CA SER A 6 -12.529 8.623 12.482 1.00 0.00 C ATOM 50 C SER A 6 -11.499 9.291 13.388 1.00 0.00 C ATOM 51 O SER A 6 -11.808 10.250 14.094 1.00 0.00 O ATOM 52 CB SER A 6 -12.870 9.546 11.311 1.00 0.00 C ATOM 53 OG SER A 6 -11.774 9.669 10.422 1.00 0.00 O ATOM 0 H SER A 6 -14.052 9.011 13.869 1.00 0.00 H new ATOM 0 HA SER A 6 -12.101 7.699 12.094 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.735 9.154 10.775 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.148 10.530 11.689 1.00 0.00 H new ATOM 0 HG SER A 6 -12.018 10.263 9.682 1.00 0.00 H new ATOM 59 N GLY A 7 -10.274 8.777 13.362 1.00 0.00 N ATOM 60 CA GLY A 7 -9.217 9.336 14.184 1.00 0.00 C ATOM 61 C GLY A 7 -8.497 10.482 13.503 1.00 0.00 C ATOM 62 O GLY A 7 -8.205 10.419 12.309 1.00 0.00 O ATOM 0 H GLY A 7 -9.994 7.983 12.786 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.640 9.685 15.126 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.499 8.553 14.428 1.00 0.00 H new ATOM 66 N MET A 8 -8.210 11.534 14.263 1.00 0.00 N ATOM 67 CA MET A 8 -7.520 12.701 13.725 1.00 0.00 C ATOM 68 C MET A 8 -6.039 12.670 14.086 1.00 0.00 C ATOM 69 O MET A 8 -5.327 13.658 13.910 1.00 0.00 O ATOM 70 CB MET A 8 -8.159 13.987 14.252 1.00 0.00 C ATOM 71 CG MET A 8 -7.987 14.181 15.750 1.00 0.00 C ATOM 72 SD MET A 8 -9.287 13.380 16.708 1.00 0.00 S ATOM 73 CE MET A 8 -8.319 12.567 17.978 1.00 0.00 C ATOM 0 H MET A 8 -8.445 11.602 15.253 1.00 0.00 H new ATOM 0 HA MET A 8 -7.612 12.678 12.639 1.00 0.00 H new ATOM 0 HB2 MET A 8 -7.723 14.840 13.731 1.00 0.00 H new ATOM 0 HB3 MET A 8 -9.223 13.978 14.015 1.00 0.00 H new ATOM 0 HG2 MET A 8 -7.019 13.784 16.055 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.979 15.247 15.976 1.00 0.00 H new ATOM 0 HE1 MET A 8 -8.984 12.027 18.652 1.00 0.00 H new ATOM 0 HE2 MET A 8 -7.625 11.866 17.514 1.00 0.00 H new ATOM 0 HE3 MET A 8 -7.759 13.313 18.542 1.00 0.00 H new ATOM 83 N GLY A 9 -5.580 11.529 14.591 1.00 0.00 N ATOM 84 CA GLY A 9 -4.186 11.392 14.969 1.00 0.00 C ATOM 85 C GLY A 9 -3.877 10.033 15.566 1.00 0.00 C ATOM 86 O GLY A 9 -3.084 9.271 15.014 1.00 0.00 O ATOM 0 H GLY A 9 -6.149 10.697 14.745 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.558 11.552 14.093 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.930 12.169 15.690 1.00 0.00 H new ATOM 90 N ASP A 10 -4.504 9.730 16.697 1.00 0.00 N ATOM 91 CA ASP A 10 -4.292 8.453 17.370 1.00 0.00 C ATOM 92 C ASP A 10 -5.566 7.614 17.357 1.00 0.00 C ATOM 93 O ASP A 10 -6.348 7.640 18.306 1.00 0.00 O ATOM 94 CB ASP A 10 -3.832 8.682 18.810 1.00 0.00 C ATOM 95 CG ASP A 10 -2.335 8.897 18.913 1.00 0.00 C ATOM 96 OD1 ASP A 10 -1.578 8.070 18.363 1.00 0.00 O ATOM 97 OD2 ASP A 10 -1.920 9.892 19.544 1.00 0.00 O ATOM 0 H ASP A 10 -5.163 10.350 17.167 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.516 7.910 16.831 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.350 9.549 19.220 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.116 7.824 19.420 1.00 0.00 H new ATOM 102 N GLY A 11 -5.768 6.870 16.273 1.00 0.00 N ATOM 103 CA GLY A 11 -6.948 6.035 16.156 1.00 0.00 C ATOM 104 C GLY A 11 -7.030 5.331 14.816 1.00 0.00 C ATOM 105 O GLY A 11 -7.964 5.553 14.046 1.00 0.00 O ATOM 0 H GLY A 11 -5.135 6.831 15.474 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.944 5.292 16.954 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.838 6.648 16.296 1.00 0.00 H new ATOM 109 N ALA A 12 -6.048 4.480 14.536 1.00 0.00 N ATOM 110 CA ALA A 12 -6.013 3.741 13.280 1.00 0.00 C ATOM 111 C ALA A 12 -7.420 3.383 12.814 1.00 0.00 C ATOM 112 O ALA A 12 -8.163 2.700 13.518 1.00 0.00 O ATOM 113 CB ALA A 12 -5.170 2.483 13.431 1.00 0.00 C ATOM 0 H ALA A 12 -5.266 4.285 15.162 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.559 4.381 12.523 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.153 1.941 12.485 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.153 2.758 13.710 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.600 1.848 14.206 1.00 0.00 H new ATOM 119 N VAL A 13 -7.780 3.851 11.623 1.00 0.00 N ATOM 120 CA VAL A 13 -9.099 3.580 11.062 1.00 0.00 C ATOM 121 C VAL A 13 -9.490 2.120 11.257 1.00 0.00 C ATOM 122 O VAL A 13 -10.632 1.811 11.597 1.00 0.00 O ATOM 123 CB VAL A 13 -9.150 3.917 9.560 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.517 3.582 8.984 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.811 5.382 9.331 1.00 0.00 C ATOM 0 H VAL A 13 -7.177 4.419 11.028 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.806 4.217 11.594 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.406 3.310 9.044 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.534 3.827 7.922 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.716 2.518 9.115 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.282 4.160 9.502 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.852 5.602 8.264 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.530 6.009 9.859 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.808 5.586 9.706 1.00 0.00 H new ATOM 135 N LYS A 14 -8.533 1.223 11.041 1.00 0.00 N ATOM 136 CA LYS A 14 -8.775 -0.207 11.194 1.00 0.00 C ATOM 137 C LYS A 14 -7.513 -0.926 11.658 1.00 0.00 C ATOM 138 O LYS A 14 -6.432 -0.718 11.106 1.00 0.00 O ATOM 139 CB LYS A 14 -9.262 -0.808 9.874 1.00 0.00 C ATOM 140 CG LYS A 14 -9.349 -2.324 9.891 1.00 0.00 C ATOM 141 CD LYS A 14 -10.220 -2.845 8.760 1.00 0.00 C ATOM 142 CE LYS A 14 -10.775 -4.225 9.075 1.00 0.00 C ATOM 143 NZ LYS A 14 -11.813 -4.176 10.141 1.00 0.00 N ATOM 0 H LYS A 14 -7.582 1.462 10.759 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.547 -0.340 11.952 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.245 -0.399 9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.589 -0.500 9.074 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.348 -2.748 9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.755 -2.655 10.847 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.043 -2.152 8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.637 -2.887 7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.203 -4.659 8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.962 -4.880 9.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.375 -5.051 10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.353 -4.083 11.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.437 -3.360 9.981 1.00 0.00 H new ATOM 157 N GLN A 15 -7.657 -1.771 12.673 1.00 0.00 N ATOM 158 CA GLN A 15 -6.527 -2.521 13.209 1.00 0.00 C ATOM 159 C GLN A 15 -6.752 -4.022 13.064 1.00 0.00 C ATOM 160 O GLN A 15 -7.832 -4.530 13.361 1.00 0.00 O ATOM 161 CB GLN A 15 -6.305 -2.167 14.680 1.00 0.00 C ATOM 162 CG GLN A 15 -5.863 -0.729 14.900 1.00 0.00 C ATOM 163 CD GLN A 15 -6.280 -0.190 16.254 1.00 0.00 C ATOM 164 OE1 GLN A 15 -7.461 -0.203 16.603 1.00 0.00 O ATOM 165 NE2 GLN A 15 -5.311 0.287 17.026 1.00 0.00 N ATOM 0 H GLN A 15 -8.545 -1.954 13.141 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.639 -2.248 12.639 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.229 -2.343 15.231 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.553 -2.837 15.097 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.779 -0.668 14.807 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.286 -0.099 14.117 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.346 0.278 16.697 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.532 0.662 17.948 1.00 0.00 H new ATOM 174 N GLY A 16 -5.723 -4.728 12.603 1.00 0.00 N ATOM 175 CA GLY A 16 -5.829 -6.164 12.425 1.00 0.00 C ATOM 176 C GLY A 16 -4.507 -6.801 12.044 1.00 0.00 C ATOM 177 O GLY A 16 -3.471 -6.135 12.028 1.00 0.00 O ATOM 0 H GLY A 16 -4.818 -4.330 12.350 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.193 -6.615 13.348 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.568 -6.378 11.652 1.00 0.00 H new ATOM 181 N PHE A 17 -4.541 -8.093 11.738 1.00 0.00 N ATOM 182 CA PHE A 17 -3.336 -8.821 11.358 1.00 0.00 C ATOM 183 C PHE A 17 -3.414 -9.282 9.906 1.00 0.00 C ATOM 184 O PHE A 17 -4.367 -9.954 9.506 1.00 0.00 O ATOM 185 CB PHE A 17 -3.130 -10.026 12.278 1.00 0.00 C ATOM 186 CG PHE A 17 -2.893 -9.651 13.713 1.00 0.00 C ATOM 187 CD1 PHE A 17 -1.634 -9.265 14.143 1.00 0.00 C ATOM 188 CD2 PHE A 17 -3.929 -9.686 14.632 1.00 0.00 C ATOM 189 CE1 PHE A 17 -1.412 -8.919 15.463 1.00 0.00 C ATOM 190 CE2 PHE A 17 -3.714 -9.341 15.953 1.00 0.00 C ATOM 191 CZ PHE A 17 -2.454 -8.959 16.369 1.00 0.00 C ATOM 0 H PHE A 17 -5.390 -8.658 11.746 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.487 -8.146 11.461 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.006 -10.672 12.219 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.281 -10.607 11.918 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.816 -9.234 13.439 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.916 -9.986 14.313 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.426 -8.618 15.785 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.531 -9.370 16.659 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.283 -8.692 17.401 1.00 0.00 H new ATOM 201 N LEU A 18 -2.407 -8.918 9.120 1.00 0.00 N ATOM 202 CA LEU A 18 -2.361 -9.293 7.711 1.00 0.00 C ATOM 203 C LEU A 18 -1.253 -10.310 7.455 1.00 0.00 C ATOM 204 O LEU A 18 -0.214 -10.291 8.115 1.00 0.00 O ATOM 205 CB LEU A 18 -2.144 -8.055 6.840 1.00 0.00 C ATOM 206 CG LEU A 18 -3.365 -7.157 6.633 1.00 0.00 C ATOM 207 CD1 LEU A 18 -2.959 -5.849 5.972 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.418 -7.873 5.801 1.00 0.00 C ATOM 0 H LEU A 18 -1.611 -8.363 9.435 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.316 -9.750 7.450 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.349 -7.457 7.286 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.788 -8.381 5.863 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.795 -6.929 7.608 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.840 -5.223 5.833 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.241 -5.329 6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.505 -6.057 5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.279 -7.219 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.000 -8.131 4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.731 -8.782 6.314 1.00 0.00 H new ATOM 220 N TYR A 19 -1.482 -11.195 6.491 1.00 0.00 N ATOM 221 CA TYR A 19 -0.503 -12.220 6.147 1.00 0.00 C ATOM 222 C TYR A 19 0.120 -11.942 4.783 1.00 0.00 C ATOM 223 O TYR A 19 -0.584 -11.683 3.806 1.00 0.00 O ATOM 224 CB TYR A 19 -1.159 -13.602 6.148 1.00 0.00 C ATOM 225 CG TYR A 19 -2.231 -13.763 7.203 1.00 0.00 C ATOM 226 CD1 TYR A 19 -1.929 -13.636 8.553 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.545 -14.041 6.849 1.00 0.00 C ATOM 228 CE1 TYR A 19 -2.904 -13.783 9.520 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.528 -14.188 7.810 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.202 -14.059 9.143 1.00 0.00 C ATOM 231 OH TYR A 19 -5.177 -14.205 10.104 1.00 0.00 O ATOM 0 H TYR A 19 -2.336 -11.223 5.934 1.00 0.00 H new ATOM 0 HA TYR A 19 0.287 -12.199 6.898 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.596 -13.788 5.167 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.391 -14.359 6.304 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.914 -13.419 8.852 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.803 -14.144 5.805 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.652 -13.682 10.565 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.545 -14.403 7.518 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.036 -14.395 9.672 1.00 0.00 H new ATOM 241 N LEU A 20 1.446 -11.998 4.724 1.00 0.00 N ATOM 242 CA LEU A 20 2.167 -11.753 3.479 1.00 0.00 C ATOM 243 C LEU A 20 2.910 -13.006 3.025 1.00 0.00 C ATOM 244 O LEU A 20 3.909 -13.398 3.626 1.00 0.00 O ATOM 245 CB LEU A 20 3.154 -10.598 3.658 1.00 0.00 C ATOM 246 CG LEU A 20 4.019 -10.260 2.443 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.147 -9.984 1.228 1.00 0.00 C ATOM 248 CD2 LEU A 20 4.915 -9.067 2.741 1.00 0.00 C ATOM 0 H LEU A 20 2.044 -12.211 5.523 1.00 0.00 H new ATOM 0 HA LEU A 20 1.440 -11.486 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.593 -9.707 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.813 -10.836 4.493 1.00 0.00 H new ATOM 0 HG LEU A 20 4.653 -11.119 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.779 -9.745 0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.549 -10.866 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.487 -9.142 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.523 -8.841 1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.299 -8.202 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.565 -9.302 3.584 1.00 0.00 H new ATOM 260 N GLN A 21 2.414 -13.627 1.959 1.00 0.00 N ATOM 261 CA GLN A 21 3.032 -14.834 1.423 1.00 0.00 C ATOM 262 C GLN A 21 4.367 -14.513 0.758 1.00 0.00 C ATOM 263 O GLN A 21 4.426 -13.727 -0.187 1.00 0.00 O ATOM 264 CB GLN A 21 2.097 -15.508 0.418 1.00 0.00 C ATOM 265 CG GLN A 21 2.378 -16.989 0.225 1.00 0.00 C ATOM 266 CD GLN A 21 1.499 -17.616 -0.841 1.00 0.00 C ATOM 267 OE1 GLN A 21 0.661 -18.562 -0.436 1.00 0.00 O flip ATOM 268 NE2 GLN A 21 1.573 -17.252 -2.015 1.00 0.00 N flip ATOM 0 H GLN A 21 1.587 -13.314 1.450 1.00 0.00 H new ATOM 0 HA GLN A 21 3.215 -15.517 2.252 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.067 -15.383 0.752 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.184 -15.002 -0.543 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.425 -17.124 -0.047 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.225 -17.510 1.170 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.232 -16.521 -2.282 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.975 -17.682 -2.721 1.00 0.00 H new ATOM 277 N GLN A 22 5.434 -15.127 1.258 1.00 0.00 N ATOM 278 CA GLN A 22 6.768 -14.905 0.712 1.00 0.00 C ATOM 279 C GLN A 22 7.570 -16.202 0.692 1.00 0.00 C ATOM 280 O GLN A 22 7.235 -17.161 1.387 1.00 0.00 O ATOM 281 CB GLN A 22 7.508 -13.846 1.531 1.00 0.00 C ATOM 282 CG GLN A 22 6.849 -12.477 1.492 1.00 0.00 C ATOM 283 CD GLN A 22 7.360 -11.616 0.353 1.00 0.00 C ATOM 284 OE1 GLN A 22 8.137 -10.684 0.564 1.00 0.00 O ATOM 285 NE2 GLN A 22 6.926 -11.924 -0.864 1.00 0.00 N ATOM 0 H GLN A 22 5.401 -15.782 2.040 1.00 0.00 H new ATOM 0 HA GLN A 22 6.659 -14.550 -0.313 1.00 0.00 H new ATOM 0 HB2 GLN A 22 7.573 -14.179 2.567 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.529 -13.759 1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.770 -12.600 1.394 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.027 -11.965 2.438 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.282 -12.705 -0.994 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.236 -11.380 -1.669 1.00 0.00 H new ATOM 294 N GLN A 23 8.631 -16.224 -0.109 1.00 0.00 N ATOM 295 CA GLN A 23 9.480 -17.404 -0.219 1.00 0.00 C ATOM 296 C GLN A 23 10.692 -17.290 0.700 1.00 0.00 C ATOM 297 O GLN A 23 11.626 -16.539 0.419 1.00 0.00 O ATOM 298 CB GLN A 23 9.938 -17.595 -1.666 1.00 0.00 C ATOM 299 CG GLN A 23 8.802 -17.902 -2.628 1.00 0.00 C ATOM 300 CD GLN A 23 9.222 -17.793 -4.081 1.00 0.00 C ATOM 301 OE1 GLN A 23 9.849 -18.701 -4.628 1.00 0.00 O ATOM 302 NE2 GLN A 23 8.878 -16.678 -4.715 1.00 0.00 N ATOM 0 H GLN A 23 8.923 -15.439 -0.691 1.00 0.00 H new ATOM 0 HA GLN A 23 8.895 -18.272 0.087 1.00 0.00 H new ATOM 0 HB2 GLN A 23 10.450 -16.692 -1.998 1.00 0.00 H new ATOM 0 HB3 GLN A 23 10.665 -18.406 -1.704 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.430 -18.908 -2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.976 -17.216 -2.440 1.00 0.00 H new ATOM 0 HE21 GLN A 23 8.358 -15.951 -4.223 1.00 0.00 H new ATOM 0 HE22 GLN A 23 9.133 -16.548 -5.694 1.00 0.00 H new ATOM 311 N GLN A 24 10.670 -18.040 1.797 1.00 0.00 N ATOM 312 CA GLN A 24 11.767 -18.022 2.757 1.00 0.00 C ATOM 313 C GLN A 24 12.465 -19.377 2.812 1.00 0.00 C ATOM 314 O GLN A 24 13.657 -19.486 2.522 1.00 0.00 O ATOM 315 CB GLN A 24 11.251 -17.644 4.146 1.00 0.00 C ATOM 316 CG GLN A 24 11.240 -16.146 4.404 1.00 0.00 C ATOM 317 CD GLN A 24 10.095 -15.441 3.703 1.00 0.00 C ATOM 318 OE1 GLN A 24 9.202 -16.083 3.149 1.00 0.00 O ATOM 319 NE2 GLN A 24 10.115 -14.114 3.724 1.00 0.00 N ATOM 0 H GLN A 24 9.905 -18.668 2.043 1.00 0.00 H new ATOM 0 HA GLN A 24 12.490 -17.275 2.430 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.240 -18.033 4.267 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.871 -18.130 4.899 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.170 -15.967 5.477 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.185 -15.717 4.070 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.875 -13.623 4.195 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.371 -13.585 3.269 1.00 0.00 H new ATOM 328 N THR A 25 11.715 -20.408 3.186 1.00 0.00 N ATOM 329 CA THR A 25 12.261 -21.756 3.281 1.00 0.00 C ATOM 330 C THR A 25 11.296 -22.783 2.700 1.00 0.00 C ATOM 331 O THR A 25 10.086 -22.707 2.919 1.00 0.00 O ATOM 332 CB THR A 25 12.576 -22.133 4.741 1.00 0.00 C ATOM 333 OG1 THR A 25 13.480 -21.179 5.309 1.00 0.00 O ATOM 334 CG2 THR A 25 13.184 -23.525 4.821 1.00 0.00 C ATOM 0 H THR A 25 10.727 -20.335 3.428 1.00 0.00 H new ATOM 0 HA THR A 25 13.186 -21.763 2.704 1.00 0.00 H new ATOM 0 HB THR A 25 11.643 -22.128 5.304 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.674 -21.425 6.238 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.398 -23.769 5.861 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.482 -24.253 4.414 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.109 -23.552 4.244 1.00 0.00 H new ATOM 342 N PHE A 26 11.837 -23.744 1.959 1.00 0.00 N ATOM 343 CA PHE A 26 11.023 -24.787 1.346 1.00 0.00 C ATOM 344 C PHE A 26 9.800 -24.188 0.658 1.00 0.00 C ATOM 345 O PHE A 26 8.673 -24.634 0.871 1.00 0.00 O ATOM 346 CB PHE A 26 10.582 -25.805 2.400 1.00 0.00 C ATOM 347 CG PHE A 26 11.609 -26.866 2.676 1.00 0.00 C ATOM 348 CD1 PHE A 26 12.156 -27.605 1.640 1.00 0.00 C ATOM 349 CD2 PHE A 26 12.027 -27.123 3.972 1.00 0.00 C ATOM 350 CE1 PHE A 26 13.101 -28.582 1.891 1.00 0.00 C ATOM 351 CE2 PHE A 26 12.973 -28.098 4.228 1.00 0.00 C ATOM 352 CZ PHE A 26 13.509 -28.829 3.187 1.00 0.00 C ATOM 0 H PHE A 26 12.836 -23.822 1.768 1.00 0.00 H new ATOM 0 HA PHE A 26 11.630 -25.292 0.595 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.355 -25.280 3.328 1.00 0.00 H new ATOM 0 HB3 PHE A 26 9.659 -26.281 2.070 1.00 0.00 H new ATOM 0 HD1 PHE A 26 11.841 -27.416 0.625 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.609 -26.556 4.791 1.00 0.00 H new ATOM 0 HE1 PHE A 26 13.520 -29.152 1.075 1.00 0.00 H new ATOM 0 HE2 PHE A 26 13.293 -28.288 5.242 1.00 0.00 H new ATOM 0 HZ PHE A 26 14.246 -29.593 3.386 1.00 0.00 H new ATOM 362 N GLY A 27 10.031 -23.173 -0.169 1.00 0.00 N ATOM 363 CA GLY A 27 8.940 -22.528 -0.875 1.00 0.00 C ATOM 364 C GLY A 27 8.384 -21.337 -0.121 1.00 0.00 C ATOM 365 O GLY A 27 9.075 -20.737 0.703 1.00 0.00 O ATOM 0 H GLY A 27 10.955 -22.786 -0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.288 -22.203 -1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.142 -23.252 -1.044 1.00 0.00 H new ATOM 369 N LYS A 28 7.133 -20.991 -0.403 1.00 0.00 N ATOM 370 CA LYS A 28 6.483 -19.863 0.254 1.00 0.00 C ATOM 371 C LYS A 28 5.418 -20.344 1.234 1.00 0.00 C ATOM 372 O LYS A 28 4.779 -21.373 1.017 1.00 0.00 O ATOM 373 CB LYS A 28 5.853 -18.934 -0.786 1.00 0.00 C ATOM 374 CG LYS A 28 4.785 -19.605 -1.633 1.00 0.00 C ATOM 375 CD LYS A 28 5.377 -20.228 -2.886 1.00 0.00 C ATOM 376 CE LYS A 28 5.385 -19.244 -4.046 1.00 0.00 C ATOM 377 NZ LYS A 28 4.012 -18.780 -4.389 1.00 0.00 N ATOM 0 H LYS A 28 6.548 -21.476 -1.083 1.00 0.00 H new ATOM 0 HA LYS A 28 7.242 -19.313 0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.415 -18.076 -0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.636 -18.551 -1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.283 -20.374 -1.045 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.028 -18.873 -1.913 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.395 -20.561 -2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.802 -21.112 -3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.005 -18.385 -3.789 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.838 -19.715 -4.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.982 -18.494 -5.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.334 -19.553 -4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.760 -17.969 -3.789 1.00 0.00 H new ATOM 391 N LYS A 29 5.231 -19.591 2.314 1.00 0.00 N ATOM 392 CA LYS A 29 4.241 -19.938 3.326 1.00 0.00 C ATOM 393 C LYS A 29 3.554 -18.688 3.867 1.00 0.00 C ATOM 394 O LYS A 29 3.945 -17.566 3.545 1.00 0.00 O ATOM 395 CB LYS A 29 4.902 -20.706 4.473 1.00 0.00 C ATOM 396 CG LYS A 29 5.200 -22.158 4.141 1.00 0.00 C ATOM 397 CD LYS A 29 5.844 -22.877 5.315 1.00 0.00 C ATOM 398 CE LYS A 29 6.408 -24.228 4.899 1.00 0.00 C ATOM 399 NZ LYS A 29 5.351 -25.275 4.840 1.00 0.00 N ATOM 0 H LYS A 29 5.753 -18.737 2.510 1.00 0.00 H new ATOM 0 HA LYS A 29 3.487 -20.572 2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.832 -20.206 4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.252 -20.668 5.347 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.276 -22.666 3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.862 -22.206 3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.642 -22.260 5.728 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.107 -23.017 6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.885 -24.138 3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.181 -24.532 5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.775 -26.180 4.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.913 -25.379 5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.626 -24.998 4.148 1.00 0.00 H new ATOM 413 N TRP A 30 2.531 -18.890 4.689 1.00 0.00 N ATOM 414 CA TRP A 30 1.791 -17.778 5.275 1.00 0.00 C ATOM 415 C TRP A 30 2.401 -17.361 6.609 1.00 0.00 C ATOM 416 O TRP A 30 2.681 -18.202 7.463 1.00 0.00 O ATOM 417 CB TRP A 30 0.323 -18.161 5.469 1.00 0.00 C ATOM 418 CG TRP A 30 -0.447 -18.233 4.185 1.00 0.00 C ATOM 419 CD1 TRP A 30 -1.045 -19.337 3.648 1.00 0.00 C ATOM 420 CD2 TRP A 30 -0.699 -17.156 3.275 1.00 0.00 C ATOM 421 NE1 TRP A 30 -1.654 -19.011 2.460 1.00 0.00 N ATOM 422 CE2 TRP A 30 -1.457 -17.679 2.210 1.00 0.00 C ATOM 423 CE3 TRP A 30 -0.360 -15.800 3.259 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -1.879 -16.893 1.140 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.779 -15.022 2.197 1.00 0.00 C ATOM 426 CH2 TRP A 30 -1.533 -15.569 1.150 1.00 0.00 C ATOM 0 H TRP A 30 2.195 -19.813 4.965 1.00 0.00 H new ATOM 0 HA TRP A 30 1.851 -16.933 4.589 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.270 -19.127 5.971 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.151 -17.434 6.128 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -1.040 -20.322 4.092 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -2.169 -19.656 1.861 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.219 -15.368 4.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -2.459 -17.314 0.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.521 -13.974 2.173 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.847 -14.933 0.335 1.00 0.00 H new ATOM 437 N ARG A 31 2.602 -16.059 6.781 1.00 0.00 N ATOM 438 CA ARG A 31 3.180 -15.531 8.011 1.00 0.00 C ATOM 439 C ARG A 31 2.361 -14.356 8.536 1.00 0.00 C ATOM 440 O ARG A 31 1.780 -13.596 7.761 1.00 0.00 O ATOM 441 CB ARG A 31 4.627 -15.094 7.774 1.00 0.00 C ATOM 442 CG ARG A 31 5.640 -16.209 7.971 1.00 0.00 C ATOM 443 CD ARG A 31 5.835 -17.016 6.698 1.00 0.00 C ATOM 444 NE ARG A 31 7.085 -17.772 6.714 1.00 0.00 N ATOM 445 CZ ARG A 31 7.248 -18.908 7.382 1.00 0.00 C ATOM 446 NH1 ARG A 31 6.246 -19.418 8.084 1.00 0.00 N ATOM 447 NH2 ARG A 31 8.416 -19.537 7.348 1.00 0.00 N ATOM 0 H ARG A 31 2.373 -15.350 6.084 1.00 0.00 H new ATOM 0 HA ARG A 31 3.166 -16.324 8.759 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.719 -14.706 6.759 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.866 -14.274 8.451 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.594 -15.784 8.283 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.306 -16.868 8.773 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.998 -17.703 6.573 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.828 -16.345 5.839 1.00 0.00 H new ATOM 0 HE ARG A 31 7.876 -17.407 6.183 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.347 -18.938 8.112 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.374 -20.291 8.596 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.189 -19.148 6.809 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.540 -20.410 7.861 1.00 0.00 H new ATOM 461 N ARG A 32 2.319 -14.213 9.857 1.00 0.00 N ATOM 462 CA ARG A 32 1.570 -13.132 10.485 1.00 0.00 C ATOM 463 C ARG A 32 2.444 -11.893 10.657 1.00 0.00 C ATOM 464 O ARG A 32 3.630 -11.996 10.973 1.00 0.00 O ATOM 465 CB ARG A 32 1.029 -13.580 11.844 1.00 0.00 C ATOM 466 CG ARG A 32 -0.096 -14.597 11.747 1.00 0.00 C ATOM 467 CD ARG A 32 -0.111 -15.528 12.949 1.00 0.00 C ATOM 468 NE ARG A 32 1.006 -16.469 12.926 1.00 0.00 N ATOM 469 CZ ARG A 32 1.178 -17.427 13.830 1.00 0.00 C ATOM 470 NH1 ARG A 32 0.310 -17.570 14.823 1.00 0.00 N ATOM 471 NH2 ARG A 32 2.219 -18.244 13.742 1.00 0.00 N ATOM 0 H ARG A 32 2.795 -14.833 10.513 1.00 0.00 H new ATOM 0 HA ARG A 32 0.733 -12.878 9.834 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.845 -14.008 12.427 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.672 -12.706 12.389 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.052 -14.078 11.676 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.018 -15.182 10.834 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.070 -14.938 13.865 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.050 -16.081 12.968 1.00 0.00 H new ATOM 0 HE ARG A 32 1.691 -16.386 12.175 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.492 -16.944 14.894 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.444 -18.306 15.516 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.888 -18.137 12.980 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.350 -18.979 14.437 1.00 0.00 H new ATOM 485 N PHE A 33 1.852 -10.723 10.446 1.00 0.00 N ATOM 486 CA PHE A 33 2.576 -9.464 10.575 1.00 0.00 C ATOM 487 C PHE A 33 1.644 -8.343 11.025 1.00 0.00 C ATOM 488 O PHE A 33 0.787 -7.892 10.267 1.00 0.00 O ATOM 489 CB PHE A 33 3.236 -9.091 9.246 1.00 0.00 C ATOM 490 CG PHE A 33 4.094 -10.184 8.675 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.251 -10.584 9.323 1.00 0.00 C ATOM 492 CD2 PHE A 33 3.744 -10.811 7.490 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.043 -11.590 8.801 1.00 0.00 C ATOM 494 CE2 PHE A 33 4.531 -11.817 6.963 1.00 0.00 C ATOM 495 CZ PHE A 33 5.683 -12.206 7.619 1.00 0.00 C ATOM 0 H PHE A 33 0.871 -10.620 10.185 1.00 0.00 H new ATOM 0 HA PHE A 33 3.349 -9.596 11.332 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.461 -8.834 8.524 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.846 -8.199 9.390 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.538 -10.104 10.247 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.845 -10.510 6.972 1.00 0.00 H new ATOM 0 HE1 PHE A 33 6.942 -11.893 9.317 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.246 -12.299 6.039 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.301 -12.991 7.208 1.00 0.00 H new ATOM 505 N GLY A 34 1.818 -7.899 12.267 1.00 0.00 N ATOM 506 CA GLY A 34 0.985 -6.836 12.797 1.00 0.00 C ATOM 507 C GLY A 34 0.791 -5.703 11.809 1.00 0.00 C ATOM 508 O GLY A 34 1.749 -5.029 11.431 1.00 0.00 O ATOM 0 H GLY A 34 2.520 -8.257 12.914 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.013 -7.244 13.072 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.437 -6.445 13.709 1.00 0.00 H new ATOM 512 N ALA A 35 -0.452 -5.494 11.388 1.00 0.00 N ATOM 513 CA ALA A 35 -0.769 -4.435 10.437 1.00 0.00 C ATOM 514 C ALA A 35 -1.693 -3.395 11.062 1.00 0.00 C ATOM 515 O ALA A 35 -2.610 -3.735 11.810 1.00 0.00 O ATOM 516 CB ALA A 35 -1.401 -5.022 9.184 1.00 0.00 C ATOM 0 H ALA A 35 -1.256 -6.044 11.690 1.00 0.00 H new ATOM 0 HA ALA A 35 0.161 -3.937 10.161 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.632 -4.220 8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.706 -5.721 8.719 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.319 -5.546 9.451 1.00 0.00 H new ATOM 522 N SER A 36 -1.446 -2.127 10.750 1.00 0.00 N ATOM 523 CA SER A 36 -2.254 -1.037 11.285 1.00 0.00 C ATOM 524 C SER A 36 -2.607 -0.035 10.190 1.00 0.00 C ATOM 525 O SER A 36 -1.732 0.459 9.477 1.00 0.00 O ATOM 526 CB SER A 36 -1.508 -0.329 12.418 1.00 0.00 C ATOM 527 OG SER A 36 -1.024 -1.260 13.370 1.00 0.00 O ATOM 0 H SER A 36 -0.693 -1.829 10.130 1.00 0.00 H new ATOM 0 HA SER A 36 -3.178 -1.461 11.677 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.675 0.243 12.008 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.173 0.383 12.907 1.00 0.00 H new ATOM 0 HG SER A 36 -0.457 -0.797 14.022 1.00 0.00 H new ATOM 533 N LEU A 37 -3.896 0.260 10.061 1.00 0.00 N ATOM 534 CA LEU A 37 -4.368 1.203 9.053 1.00 0.00 C ATOM 535 C LEU A 37 -4.443 2.616 9.622 1.00 0.00 C ATOM 536 O LEU A 37 -5.152 2.867 10.597 1.00 0.00 O ATOM 537 CB LEU A 37 -5.742 0.778 8.531 1.00 0.00 C ATOM 538 CG LEU A 37 -6.141 1.332 7.163 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.289 0.711 6.067 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.619 1.083 6.898 1.00 0.00 C ATOM 0 H LEU A 37 -4.633 -0.140 10.642 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.656 1.200 8.228 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.769 -0.311 8.482 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.495 1.083 9.258 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.968 2.408 7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.587 1.117 5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.239 0.940 6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.430 -0.370 6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.886 1.484 5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.817 0.011 6.917 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.214 1.576 7.667 1.00 0.00 H new ATOM 552 N TYR A 38 -3.709 3.536 9.006 1.00 0.00 N ATOM 553 CA TYR A 38 -3.692 4.925 9.451 1.00 0.00 C ATOM 554 C TYR A 38 -4.175 5.857 8.344 1.00 0.00 C ATOM 555 O TYR A 38 -4.075 5.539 7.160 1.00 0.00 O ATOM 556 CB TYR A 38 -2.282 5.324 9.891 1.00 0.00 C ATOM 557 CG TYR A 38 -1.689 4.401 10.931 1.00 0.00 C ATOM 558 CD1 TYR A 38 -2.189 4.371 12.227 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.628 3.561 10.619 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.650 3.531 13.182 1.00 0.00 C ATOM 561 CE2 TYR A 38 -0.083 2.716 11.567 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.597 2.705 12.847 1.00 0.00 C ATOM 563 OH TYR A 38 -0.057 1.866 13.794 1.00 0.00 O ATOM 0 H TYR A 38 -3.118 3.345 8.197 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.370 5.017 10.300 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.629 5.341 9.018 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.308 6.338 10.290 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.014 5.016 12.492 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.222 3.568 9.618 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.051 3.521 14.185 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.741 2.068 11.307 1.00 0.00 H new ATOM 0 HH TYR A 38 0.675 1.351 13.395 1.00 0.00 H new ATOM 573 N GLY A 39 -4.699 7.013 8.740 1.00 0.00 N ATOM 574 CA GLY A 39 -5.189 7.976 7.771 1.00 0.00 C ATOM 575 C GLY A 39 -6.648 8.325 7.988 1.00 0.00 C ATOM 576 O GLY A 39 -7.183 8.138 9.081 1.00 0.00 O ATOM 0 H GLY A 39 -4.793 7.300 9.714 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.589 8.884 7.830 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.060 7.574 6.766 1.00 0.00 H new ATOM 580 N GLY A 40 -7.295 8.837 6.945 1.00 0.00 N ATOM 581 CA GLY A 40 -8.694 9.207 7.048 1.00 0.00 C ATOM 582 C GLY A 40 -8.952 10.631 6.599 1.00 0.00 C ATOM 583 O GLY A 40 -8.116 11.239 5.930 1.00 0.00 O ATOM 0 H GLY A 40 -6.875 9.002 6.030 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.292 8.525 6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.022 9.090 8.081 1.00 0.00 H new ATOM 587 N SER A 41 -10.113 11.165 6.965 1.00 0.00 N ATOM 588 CA SER A 41 -10.480 12.526 6.591 1.00 0.00 C ATOM 589 C SER A 41 -9.443 13.526 7.090 1.00 0.00 C ATOM 590 O SER A 41 -8.501 13.161 7.794 1.00 0.00 O ATOM 591 CB SER A 41 -11.858 12.878 7.156 1.00 0.00 C ATOM 592 OG SER A 41 -12.892 12.310 6.370 1.00 0.00 O ATOM 0 H SER A 41 -10.815 10.676 7.520 1.00 0.00 H new ATOM 0 HA SER A 41 -10.516 12.580 5.503 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.937 12.518 8.182 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.975 13.961 7.189 1.00 0.00 H new ATOM 0 HG SER A 41 -13.762 12.548 6.753 1.00 0.00 H new ATOM 598 N ASP A 42 -9.622 14.789 6.720 1.00 0.00 N ATOM 599 CA ASP A 42 -8.702 15.844 7.130 1.00 0.00 C ATOM 600 C ASP A 42 -7.303 15.590 6.578 1.00 0.00 C ATOM 601 O ASP A 42 -6.310 15.717 7.295 1.00 0.00 O ATOM 602 CB ASP A 42 -8.653 15.942 8.655 1.00 0.00 C ATOM 603 CG ASP A 42 -10.034 15.985 9.278 1.00 0.00 C ATOM 604 OD1 ASP A 42 -10.813 15.034 9.060 1.00 0.00 O ATOM 605 OD2 ASP A 42 -10.337 16.971 9.983 1.00 0.00 O ATOM 0 H ASP A 42 -10.396 15.108 6.137 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.066 16.788 6.725 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.105 15.088 9.053 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.101 16.837 8.941 1.00 0.00 H new ATOM 610 N CYS A 43 -7.232 15.231 5.301 1.00 0.00 N ATOM 611 CA CYS A 43 -5.954 14.957 4.654 1.00 0.00 C ATOM 612 C CYS A 43 -4.975 14.317 5.632 1.00 0.00 C ATOM 613 O CYS A 43 -3.850 14.787 5.796 1.00 0.00 O ATOM 614 CB CYS A 43 -5.359 16.247 4.087 1.00 0.00 C ATOM 615 SG CYS A 43 -4.135 15.984 2.783 1.00 0.00 S ATOM 0 H CYS A 43 -8.044 15.123 4.693 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.131 14.258 3.837 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.166 16.865 3.694 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.895 16.808 4.898 1.00 0.00 H new ATOM 0 HG CYS A 43 -3.691 17.133 2.366 1.00 0.00 H new ATOM 621 N ALA A 44 -5.412 13.243 6.281 1.00 0.00 N ATOM 622 CA ALA A 44 -4.574 12.538 7.244 1.00 0.00 C ATOM 623 C ALA A 44 -3.694 11.503 6.551 1.00 0.00 C ATOM 624 O ALA A 44 -4.176 10.458 6.111 1.00 0.00 O ATOM 625 CB ALA A 44 -5.436 11.875 8.308 1.00 0.00 C ATOM 0 H ALA A 44 -6.342 12.842 6.158 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.922 13.267 7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.797 11.352 9.020 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.017 12.635 8.831 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.112 11.162 7.836 1.00 0.00 H new ATOM 631 N LEU A 45 -2.402 11.799 6.457 1.00 0.00 N ATOM 632 CA LEU A 45 -1.455 10.893 5.817 1.00 0.00 C ATOM 633 C LEU A 45 -1.820 9.438 6.093 1.00 0.00 C ATOM 634 O LEU A 45 -1.851 9.003 7.244 1.00 0.00 O ATOM 635 CB LEU A 45 -0.035 11.177 6.311 1.00 0.00 C ATOM 636 CG LEU A 45 1.098 10.746 5.380 1.00 0.00 C ATOM 637 CD1 LEU A 45 2.377 11.499 5.711 1.00 0.00 C ATOM 638 CD2 LEU A 45 1.323 9.244 5.473 1.00 0.00 C ATOM 0 H LEU A 45 -1.987 12.659 6.816 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.500 11.061 4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.058 12.248 6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.101 10.679 7.271 1.00 0.00 H new ATOM 0 HG LEU A 45 0.812 10.988 4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.172 11.179 5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.210 12.570 5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.667 11.289 6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.133 8.955 4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.586 8.978 6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.411 8.721 5.185 1.00 0.00 H new ATOM 650 N ALA A 46 -2.094 8.691 5.029 1.00 0.00 N ATOM 651 CA ALA A 46 -2.453 7.284 5.156 1.00 0.00 C ATOM 652 C ALA A 46 -1.318 6.383 4.683 1.00 0.00 C ATOM 653 O ALA A 46 -0.664 6.667 3.680 1.00 0.00 O ATOM 654 CB ALA A 46 -3.724 6.990 4.372 1.00 0.00 C ATOM 0 H ALA A 46 -2.074 9.037 4.070 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.633 7.075 6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.980 5.936 4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.540 7.601 4.759 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.564 7.222 3.319 1.00 0.00 H new ATOM 660 N ARG A 47 -1.088 5.296 5.413 1.00 0.00 N ATOM 661 CA ARG A 47 -0.030 4.354 5.068 1.00 0.00 C ATOM 662 C ARG A 47 -0.201 3.042 5.828 1.00 0.00 C ATOM 663 O ARG A 47 -0.713 3.023 6.949 1.00 0.00 O ATOM 664 CB ARG A 47 1.341 4.959 5.377 1.00 0.00 C ATOM 665 CG ARG A 47 1.469 5.484 6.798 1.00 0.00 C ATOM 666 CD ARG A 47 2.887 5.944 7.096 1.00 0.00 C ATOM 667 NE ARG A 47 3.146 6.024 8.531 1.00 0.00 N ATOM 668 CZ ARG A 47 2.622 6.955 9.321 1.00 0.00 C ATOM 669 NH1 ARG A 47 1.815 7.879 8.818 1.00 0.00 N ATOM 670 NH2 ARG A 47 2.906 6.962 10.617 1.00 0.00 N ATOM 0 H ARG A 47 -1.620 5.046 6.247 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.096 4.147 4.000 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.109 4.204 5.207 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.535 5.773 4.679 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.778 6.314 6.944 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.183 4.703 7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.596 5.254 6.638 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.054 6.921 6.642 1.00 0.00 H new ATOM 0 HE ARG A 47 3.763 5.327 8.949 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.595 7.876 7.822 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.414 8.592 9.427 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.527 6.253 11.007 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.504 7.677 11.223 1.00 0.00 H new ATOM 684 N LEU A 48 0.229 1.947 5.212 1.00 0.00 N ATOM 685 CA LEU A 48 0.123 0.629 5.829 1.00 0.00 C ATOM 686 C LEU A 48 1.449 0.215 6.460 1.00 0.00 C ATOM 687 O LEU A 48 2.472 0.138 5.781 1.00 0.00 O ATOM 688 CB LEU A 48 -0.308 -0.409 4.792 1.00 0.00 C ATOM 689 CG LEU A 48 -1.092 -1.607 5.327 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.353 -1.144 6.040 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.438 -2.566 4.197 1.00 0.00 C ATOM 0 H LEU A 48 0.655 1.945 4.285 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.631 0.683 6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.917 0.091 4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.584 -0.780 4.287 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.465 -2.135 6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.898 -2.010 6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.082 -0.497 6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.983 -0.592 5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.996 -3.413 4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.046 -2.049 3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.521 -2.924 3.730 1.00 0.00 H new ATOM 703 N GLU A 49 1.421 -0.051 7.762 1.00 0.00 N ATOM 704 CA GLU A 49 2.621 -0.459 8.483 1.00 0.00 C ATOM 705 C GLU A 49 2.624 -1.966 8.727 1.00 0.00 C ATOM 706 O GLU A 49 1.580 -2.617 8.673 1.00 0.00 O ATOM 707 CB GLU A 49 2.718 0.284 9.817 1.00 0.00 C ATOM 708 CG GLU A 49 3.235 1.707 9.685 1.00 0.00 C ATOM 709 CD GLU A 49 2.161 2.679 9.239 1.00 0.00 C ATOM 710 OE1 GLU A 49 1.457 2.373 8.253 1.00 0.00 O ATOM 711 OE2 GLU A 49 2.023 3.745 9.874 1.00 0.00 O ATOM 0 H GLU A 49 0.582 0.009 8.338 1.00 0.00 H new ATOM 0 HA GLU A 49 3.486 -0.206 7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.733 0.306 10.283 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.375 -0.272 10.486 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.639 2.033 10.643 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.057 1.726 8.969 1.00 0.00 H new ATOM 718 N LEU A 50 3.805 -2.513 8.993 1.00 0.00 N ATOM 719 CA LEU A 50 3.945 -3.943 9.245 1.00 0.00 C ATOM 720 C LEU A 50 5.005 -4.207 10.310 1.00 0.00 C ATOM 721 O LEU A 50 5.884 -3.378 10.542 1.00 0.00 O ATOM 722 CB LEU A 50 4.312 -4.675 7.952 1.00 0.00 C ATOM 723 CG LEU A 50 3.308 -4.553 6.805 1.00 0.00 C ATOM 724 CD1 LEU A 50 3.897 -5.113 5.519 1.00 0.00 C ATOM 725 CD2 LEU A 50 2.010 -5.266 7.154 1.00 0.00 C ATOM 0 H LEU A 50 4.679 -1.989 9.040 1.00 0.00 H new ATOM 0 HA LEU A 50 2.989 -4.318 9.609 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.276 -4.300 7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.445 -5.732 8.181 1.00 0.00 H new ATOM 0 HG LEU A 50 3.088 -3.497 6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.169 -5.018 4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.799 -4.558 5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.146 -6.165 5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.307 -5.169 6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.212 -6.321 7.336 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.579 -4.819 8.050 1.00 0.00 H new ATOM 737 N GLN A 51 4.915 -5.368 10.951 1.00 0.00 N ATOM 738 CA GLN A 51 5.868 -5.741 11.990 1.00 0.00 C ATOM 739 C GLN A 51 6.487 -7.104 11.697 1.00 0.00 C ATOM 740 O GLN A 51 5.919 -7.908 10.959 1.00 0.00 O ATOM 741 CB GLN A 51 5.181 -5.763 13.357 1.00 0.00 C ATOM 742 CG GLN A 51 5.199 -4.420 14.069 1.00 0.00 C ATOM 743 CD GLN A 51 5.125 -4.557 15.577 1.00 0.00 C ATOM 744 OE1 GLN A 51 4.789 -5.620 16.099 1.00 0.00 O ATOM 745 NE2 GLN A 51 5.440 -3.479 16.285 1.00 0.00 N ATOM 0 H GLN A 51 4.193 -6.065 10.770 1.00 0.00 H new ATOM 0 HA GLN A 51 6.664 -4.996 12.003 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.147 -6.083 13.229 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.669 -6.506 13.988 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.109 -3.883 13.801 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.360 -3.818 13.721 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.713 -2.619 15.810 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.409 -3.511 17.304 1.00 0.00 H new ATOM 754 N GLU A 52 7.654 -7.356 12.281 1.00 0.00 N ATOM 755 CA GLU A 52 8.350 -8.621 12.080 1.00 0.00 C ATOM 756 C GLU A 52 8.670 -9.284 13.417 1.00 0.00 C ATOM 757 O GLU A 52 9.447 -8.760 14.213 1.00 0.00 O ATOM 758 CB GLU A 52 9.640 -8.400 11.288 1.00 0.00 C ATOM 759 CG GLU A 52 10.239 -9.680 10.730 1.00 0.00 C ATOM 760 CD GLU A 52 11.719 -9.547 10.425 1.00 0.00 C ATOM 761 OE1 GLU A 52 12.508 -9.378 11.378 1.00 0.00 O ATOM 762 OE2 GLU A 52 12.087 -9.612 9.234 1.00 0.00 O ATOM 0 H GLU A 52 8.137 -6.702 12.897 1.00 0.00 H new ATOM 0 HA GLU A 52 7.693 -9.281 11.513 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.438 -7.715 10.465 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.374 -7.916 11.933 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.091 -10.488 11.446 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.708 -9.959 9.820 1.00 0.00 H new ATOM 769 N GLY A 53 8.062 -10.443 13.657 1.00 0.00 N ATOM 770 CA GLY A 53 8.293 -11.159 14.898 1.00 0.00 C ATOM 771 C GLY A 53 7.372 -10.701 16.011 1.00 0.00 C ATOM 772 O GLY A 53 7.781 -9.995 16.933 1.00 0.00 O ATOM 0 H GLY A 53 7.414 -10.898 13.014 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.152 -12.227 14.730 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.329 -11.019 15.207 1.00 0.00 H new ATOM 776 N PRO A 54 6.096 -11.106 15.933 1.00 0.00 N ATOM 777 CA PRO A 54 5.087 -10.744 16.933 1.00 0.00 C ATOM 778 C PRO A 54 5.326 -11.433 18.272 1.00 0.00 C ATOM 779 O PRO A 54 4.667 -11.124 19.265 1.00 0.00 O ATOM 780 CB PRO A 54 3.777 -11.230 16.308 1.00 0.00 C ATOM 781 CG PRO A 54 4.181 -12.328 15.386 1.00 0.00 C ATOM 782 CD PRO A 54 5.539 -11.949 14.861 1.00 0.00 C ATOM 0 HA PRO A 54 5.098 -9.677 17.156 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.084 -11.588 17.069 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.273 -10.427 15.770 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.218 -13.283 15.909 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.464 -12.438 14.572 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.158 -12.827 14.677 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.468 -11.406 13.918 1.00 0.00 H new ATOM 790 N GLU A 55 6.272 -12.367 18.292 1.00 0.00 N ATOM 791 CA GLU A 55 6.596 -13.099 19.511 1.00 0.00 C ATOM 792 C GLU A 55 8.019 -12.792 19.968 1.00 0.00 C ATOM 793 O GLU A 55 8.763 -13.690 20.364 1.00 0.00 O ATOM 794 CB GLU A 55 6.433 -14.604 19.287 1.00 0.00 C ATOM 795 CG GLU A 55 4.991 -15.077 19.355 1.00 0.00 C ATOM 796 CD GLU A 55 4.874 -16.535 19.754 1.00 0.00 C ATOM 797 OE1 GLU A 55 5.363 -17.399 18.997 1.00 0.00 O ATOM 798 OE2 GLU A 55 4.292 -16.812 20.824 1.00 0.00 O ATOM 0 H GLU A 55 6.827 -12.634 17.479 1.00 0.00 H new ATOM 0 HA GLU A 55 5.906 -12.779 20.291 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.846 -14.865 18.313 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.018 -15.139 20.035 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.445 -14.463 20.071 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.518 -14.931 18.384 1.00 0.00 H new ATOM 805 N LYS A 56 8.392 -11.518 19.908 1.00 0.00 N ATOM 806 CA LYS A 56 9.725 -11.091 20.316 1.00 0.00 C ATOM 807 C LYS A 56 9.657 -10.206 21.557 1.00 0.00 C ATOM 808 O LYS A 56 8.814 -9.316 21.668 1.00 0.00 O ATOM 809 CB LYS A 56 10.411 -10.336 19.175 1.00 0.00 C ATOM 810 CG LYS A 56 11.907 -10.160 19.376 1.00 0.00 C ATOM 811 CD LYS A 56 12.654 -11.468 19.174 1.00 0.00 C ATOM 812 CE LYS A 56 12.761 -11.827 17.700 1.00 0.00 C ATOM 813 NZ LYS A 56 13.956 -11.205 17.064 1.00 0.00 N ATOM 0 H LYS A 56 7.789 -10.763 19.581 1.00 0.00 H new ATOM 0 HA LYS A 56 10.307 -11.980 20.558 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.239 -10.871 18.241 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.949 -9.354 19.070 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.284 -9.413 18.677 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.098 -9.782 20.380 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.653 -11.388 19.603 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.141 -12.268 19.708 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.815 -12.910 17.593 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.861 -11.500 17.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.994 -11.473 16.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.893 -10.170 17.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.817 -11.537 17.544 1.00 0.00 H new ATOM 827 N PRO A 57 10.566 -10.455 22.512 1.00 0.00 N ATOM 828 CA PRO A 57 10.630 -9.690 23.761 1.00 0.00 C ATOM 829 C PRO A 57 11.109 -8.259 23.540 1.00 0.00 C ATOM 830 O PRO A 57 10.498 -7.308 24.028 1.00 0.00 O ATOM 831 CB PRO A 57 11.644 -10.469 24.601 1.00 0.00 C ATOM 832 CG PRO A 57 12.499 -11.176 23.606 1.00 0.00 C ATOM 833 CD PRO A 57 11.600 -11.501 22.445 1.00 0.00 C ATOM 0 HA PRO A 57 9.651 -9.593 24.231 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.235 -9.801 25.227 1.00 0.00 H new ATOM 0 HB3 PRO A 57 11.147 -11.174 25.268 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.332 -10.548 23.291 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.927 -12.082 24.034 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.140 -11.473 21.498 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.170 -12.498 22.537 1.00 0.00 H new ATOM 841 N ARG A 58 12.204 -8.114 22.802 1.00 0.00 N ATOM 842 CA ARG A 58 12.765 -6.798 22.517 1.00 0.00 C ATOM 843 C ARG A 58 12.804 -6.537 21.014 1.00 0.00 C ATOM 844 O ARG A 58 13.270 -7.374 20.241 1.00 0.00 O ATOM 845 CB ARG A 58 14.174 -6.683 23.103 1.00 0.00 C ATOM 846 CG ARG A 58 14.307 -7.286 24.492 1.00 0.00 C ATOM 847 CD ARG A 58 13.851 -6.313 25.568 1.00 0.00 C ATOM 848 NE ARG A 58 12.396 -6.255 25.672 1.00 0.00 N ATOM 849 CZ ARG A 58 11.735 -5.210 26.158 1.00 0.00 C ATOM 850 NH1 ARG A 58 12.396 -4.142 26.582 1.00 0.00 N ATOM 851 NH2 ARG A 58 10.410 -5.232 26.221 1.00 0.00 N ATOM 0 H ARG A 58 12.721 -8.891 22.390 1.00 0.00 H new ATOM 0 HA ARG A 58 12.124 -6.049 22.981 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.878 -7.176 22.433 1.00 0.00 H new ATOM 0 HB3 ARG A 58 14.456 -5.631 23.144 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.715 -8.199 24.551 1.00 0.00 H new ATOM 0 HG3 ARG A 58 15.345 -7.567 24.670 1.00 0.00 H new ATOM 0 HD2 ARG A 58 14.271 -6.611 26.528 1.00 0.00 H new ATOM 0 HD3 ARG A 58 14.238 -5.319 25.346 1.00 0.00 H new ATOM 0 HE ARG A 58 11.857 -7.061 25.354 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.415 -4.121 26.536 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.886 -3.341 26.955 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.898 -6.052 25.896 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.904 -4.429 26.594 1.00 0.00 H new ATOM 865 N ARG A 59 12.311 -5.372 20.609 1.00 0.00 N ATOM 866 CA ARG A 59 12.288 -5.001 19.199 1.00 0.00 C ATOM 867 C ARG A 59 13.580 -5.423 18.505 1.00 0.00 C ATOM 868 O ARG A 59 14.590 -5.687 19.158 1.00 0.00 O ATOM 869 CB ARG A 59 12.086 -3.492 19.049 1.00 0.00 C ATOM 870 CG ARG A 59 13.298 -2.671 19.458 1.00 0.00 C ATOM 871 CD ARG A 59 13.286 -2.364 20.947 1.00 0.00 C ATOM 872 NE ARG A 59 14.060 -1.167 21.265 1.00 0.00 N ATOM 873 CZ ARG A 59 14.264 -0.731 22.503 1.00 0.00 C ATOM 874 NH1 ARG A 59 13.755 -1.390 23.534 1.00 0.00 N ATOM 875 NH2 ARG A 59 14.980 0.367 22.711 1.00 0.00 N ATOM 0 H ARG A 59 11.922 -4.668 21.237 1.00 0.00 H new ATOM 0 HA ARG A 59 11.455 -5.521 18.726 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.840 -3.268 18.011 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.231 -3.187 19.652 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.209 -3.214 19.205 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.315 -1.739 18.893 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.257 -2.230 21.281 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.691 -3.214 21.496 1.00 0.00 H new ATOM 0 HE ARG A 59 14.466 -0.637 20.494 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.205 -2.235 23.378 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.913 -1.053 24.483 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.374 0.876 21.920 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.136 0.701 23.662 1.00 0.00 H new ATOM 889 N CYS A 60 13.540 -5.485 17.178 1.00 0.00 N ATOM 890 CA CYS A 60 14.707 -5.876 16.395 1.00 0.00 C ATOM 891 C CYS A 60 15.576 -4.665 16.074 1.00 0.00 C ATOM 892 O CYS A 60 15.177 -3.524 16.303 1.00 0.00 O ATOM 893 CB CYS A 60 14.271 -6.565 15.101 1.00 0.00 C ATOM 894 SG CYS A 60 13.206 -5.552 14.049 1.00 0.00 S ATOM 0 H CYS A 60 12.712 -5.270 16.622 1.00 0.00 H new ATOM 0 HA CYS A 60 15.296 -6.575 16.989 1.00 0.00 H new ATOM 0 HB2 CYS A 60 15.159 -6.848 14.536 1.00 0.00 H new ATOM 0 HB3 CYS A 60 13.746 -7.486 15.352 1.00 0.00 H new ATOM 0 HG CYS A 60 12.892 -6.219 12.978 1.00 0.00 H new ATOM 900 N GLU A 61 16.767 -4.923 15.543 1.00 0.00 N ATOM 901 CA GLU A 61 17.694 -3.853 15.192 1.00 0.00 C ATOM 902 C GLU A 61 17.540 -3.459 13.726 1.00 0.00 C ATOM 903 O GLU A 61 18.525 -3.200 13.035 1.00 0.00 O ATOM 904 CB GLU A 61 19.136 -4.287 15.466 1.00 0.00 C ATOM 905 CG GLU A 61 20.127 -3.135 15.478 1.00 0.00 C ATOM 906 CD GLU A 61 21.567 -3.604 15.424 1.00 0.00 C ATOM 907 OE1 GLU A 61 21.888 -4.435 14.549 1.00 0.00 O ATOM 908 OE2 GLU A 61 22.374 -3.141 16.258 1.00 0.00 O ATOM 0 H GLU A 61 17.113 -5.862 15.347 1.00 0.00 H new ATOM 0 HA GLU A 61 17.459 -2.986 15.810 1.00 0.00 H new ATOM 0 HB2 GLU A 61 19.176 -4.799 16.427 1.00 0.00 H new ATOM 0 HB3 GLU A 61 19.440 -5.008 14.707 1.00 0.00 H new ATOM 0 HG2 GLU A 61 19.929 -2.482 14.628 1.00 0.00 H new ATOM 0 HG3 GLU A 61 19.976 -2.540 16.379 1.00 0.00 H new ATOM 915 N ALA A 62 16.297 -3.415 13.259 1.00 0.00 N ATOM 916 CA ALA A 62 16.013 -3.051 11.876 1.00 0.00 C ATOM 917 C ALA A 62 14.690 -2.301 11.767 1.00 0.00 C ATOM 918 O ALA A 62 13.783 -2.501 12.575 1.00 0.00 O ATOM 919 CB ALA A 62 15.993 -4.292 10.997 1.00 0.00 C ATOM 0 H ALA A 62 15.470 -3.627 13.818 1.00 0.00 H new ATOM 0 HA ALA A 62 16.806 -2.388 11.530 1.00 0.00 H new ATOM 0 HB1 ALA A 62 15.780 -4.005 9.967 1.00 0.00 H new ATOM 0 HB2 ALA A 62 16.964 -4.786 11.043 1.00 0.00 H new ATOM 0 HB3 ALA A 62 15.221 -4.976 11.350 1.00 0.00 H new ATOM 925 N ALA A 63 14.586 -1.436 10.763 1.00 0.00 N ATOM 926 CA ALA A 63 13.373 -0.658 10.547 1.00 0.00 C ATOM 927 C ALA A 63 12.215 -1.553 10.118 1.00 0.00 C ATOM 928 O ALA A 63 12.425 -2.655 9.612 1.00 0.00 O ATOM 929 CB ALA A 63 13.618 0.425 9.508 1.00 0.00 C ATOM 0 H ALA A 63 15.328 -1.257 10.086 1.00 0.00 H new ATOM 0 HA ALA A 63 13.102 -0.185 11.491 1.00 0.00 H new ATOM 0 HB1 ALA A 63 12.703 0.998 9.357 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.409 1.090 9.855 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.917 -0.035 8.566 1.00 0.00 H new ATOM 935 N ARG A 64 10.993 -1.072 10.324 1.00 0.00 N ATOM 936 CA ARG A 64 9.802 -1.830 9.960 1.00 0.00 C ATOM 937 C ARG A 64 9.420 -1.575 8.505 1.00 0.00 C ATOM 938 O ARG A 64 9.812 -0.568 7.915 1.00 0.00 O ATOM 939 CB ARG A 64 8.636 -1.459 10.877 1.00 0.00 C ATOM 940 CG ARG A 64 8.235 0.004 10.792 1.00 0.00 C ATOM 941 CD ARG A 64 7.181 0.231 9.719 1.00 0.00 C ATOM 942 NE ARG A 64 6.673 1.601 9.733 1.00 0.00 N ATOM 943 CZ ARG A 64 7.287 2.618 9.139 1.00 0.00 C ATOM 944 NH1 ARG A 64 8.425 2.421 8.489 1.00 0.00 N ATOM 945 NH2 ARG A 64 6.762 3.835 9.196 1.00 0.00 N ATOM 0 H ARG A 64 10.802 -0.161 10.741 1.00 0.00 H new ATOM 0 HA ARG A 64 10.026 -2.890 10.079 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.775 -2.078 10.624 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.906 -1.694 11.907 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.850 0.334 11.757 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.114 0.611 10.575 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.607 0.012 8.740 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.355 -0.464 9.869 1.00 0.00 H new ATOM 0 HE ARG A 64 5.799 1.786 10.226 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.831 1.487 8.444 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.894 3.204 8.034 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.887 3.990 9.696 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.234 4.616 8.740 1.00 0.00 H new ATOM 959 N LYS A 65 8.651 -2.495 7.931 1.00 0.00 N ATOM 960 CA LYS A 65 8.214 -2.371 6.546 1.00 0.00 C ATOM 961 C LYS A 65 6.853 -1.687 6.464 1.00 0.00 C ATOM 962 O LYS A 65 5.878 -2.149 7.057 1.00 0.00 O ATOM 963 CB LYS A 65 8.144 -3.750 5.886 1.00 0.00 C ATOM 964 CG LYS A 65 8.408 -3.724 4.391 1.00 0.00 C ATOM 965 CD LYS A 65 8.404 -5.123 3.799 1.00 0.00 C ATOM 966 CE LYS A 65 7.009 -5.537 3.356 1.00 0.00 C ATOM 967 NZ LYS A 65 7.048 -6.653 2.371 1.00 0.00 N ATOM 0 H LYS A 65 8.318 -3.335 8.404 1.00 0.00 H new ATOM 0 HA LYS A 65 8.942 -1.758 6.015 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.870 -4.409 6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.158 -4.179 6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.649 -3.117 3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.370 -3.250 4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.083 -5.161 2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.778 -5.833 4.537 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.427 -5.841 4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.499 -4.681 2.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.112 -6.760 1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.755 -6.444 1.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.305 -7.536 2.857 1.00 0.00 H new ATOM 981 N VAL A 66 6.793 -0.584 5.723 1.00 0.00 N ATOM 982 CA VAL A 66 5.551 0.162 5.562 1.00 0.00 C ATOM 983 C VAL A 66 5.245 0.406 4.088 1.00 0.00 C ATOM 984 O VAL A 66 6.074 0.943 3.353 1.00 0.00 O ATOM 985 CB VAL A 66 5.610 1.515 6.294 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.630 2.434 5.638 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.235 2.165 6.322 1.00 0.00 C ATOM 0 H VAL A 66 7.590 -0.188 5.225 1.00 0.00 H new ATOM 0 HA VAL A 66 4.758 -0.444 6.000 1.00 0.00 H new ATOM 0 HB VAL A 66 5.925 1.339 7.323 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.657 3.385 6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.615 1.969 5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.349 2.607 4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.295 3.120 6.843 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.889 2.329 5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.534 1.512 6.842 1.00 0.00 H new ATOM 997 N ILE A 67 4.050 0.010 3.664 1.00 0.00 N ATOM 998 CA ILE A 67 3.634 0.188 2.279 1.00 0.00 C ATOM 999 C ILE A 67 2.559 1.263 2.161 1.00 0.00 C ATOM 1000 O ILE A 67 1.376 0.999 2.379 1.00 0.00 O ATOM 1001 CB ILE A 67 3.098 -1.125 1.679 1.00 0.00 C ATOM 1002 CG1 ILE A 67 4.114 -2.253 1.874 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.780 -0.942 0.202 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.506 -3.635 1.790 1.00 0.00 C ATOM 0 H ILE A 67 3.353 -0.436 4.260 1.00 0.00 H new ATOM 0 HA ILE A 67 4.518 0.499 1.722 1.00 0.00 H new ATOM 0 HB ILE A 67 2.179 -1.395 2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.895 -2.162 1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.594 -2.135 2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.402 -1.879 -0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.025 -0.165 0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.685 -0.651 -0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.284 -4.384 1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.745 -3.745 2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.050 -3.773 0.809 1.00 0.00 H new ATOM 1016 N ARG A 68 2.978 2.476 1.814 1.00 0.00 N ATOM 1017 CA ARG A 68 2.051 3.591 1.667 1.00 0.00 C ATOM 1018 C ARG A 68 0.972 3.269 0.637 1.00 0.00 C ATOM 1019 O ARG A 68 1.266 2.780 -0.454 1.00 0.00 O ATOM 1020 CB ARG A 68 2.805 4.857 1.252 1.00 0.00 C ATOM 1021 CG ARG A 68 3.642 4.683 -0.004 1.00 0.00 C ATOM 1022 CD ARG A 68 4.337 5.978 -0.394 1.00 0.00 C ATOM 1023 NE ARG A 68 5.654 6.101 0.225 1.00 0.00 N ATOM 1024 CZ ARG A 68 6.504 7.086 -0.044 1.00 0.00 C ATOM 1025 NH1 ARG A 68 6.176 8.029 -0.916 1.00 0.00 N ATOM 1026 NH2 ARG A 68 7.685 7.129 0.560 1.00 0.00 N ATOM 0 H ARG A 68 3.953 2.711 1.630 1.00 0.00 H new ATOM 0 HA ARG A 68 1.570 3.761 2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.087 5.661 1.091 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.454 5.168 2.071 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.387 3.904 0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.005 4.349 -0.823 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.441 6.021 -1.478 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.717 6.825 -0.099 1.00 0.00 H new ATOM 0 HE ARG A 68 5.937 5.392 0.901 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.269 7.999 -1.382 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.830 8.784 -1.121 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.941 6.405 1.232 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.337 7.886 0.353 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.278 3.546 0.992 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.402 3.285 0.100 1.00 0.00 C ATOM 1042 C LEU A 69 -1.168 3.914 -1.269 1.00 0.00 C ATOM 1043 O LEU A 69 -1.646 3.410 -2.285 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.697 3.826 0.708 1.00 0.00 C ATOM 1045 CG LEU A 69 -3.134 3.194 2.030 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.428 3.824 2.521 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -3.297 1.689 1.873 1.00 0.00 C ATOM 0 H LEU A 69 -0.538 3.951 1.891 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.490 2.206 -0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.582 4.899 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.499 3.692 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.359 3.380 2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.723 3.362 3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.278 4.893 2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.212 3.670 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.608 1.256 2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.052 1.482 1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.347 1.250 1.568 1.00 0.00 H new ATOM 1059 N SER A 70 -0.427 5.018 -1.289 1.00 0.00 N ATOM 1060 CA SER A 70 -0.130 5.717 -2.534 1.00 0.00 C ATOM 1061 C SER A 70 0.605 4.802 -3.509 1.00 0.00 C ATOM 1062 O SER A 70 0.401 4.876 -4.720 1.00 0.00 O ATOM 1063 CB SER A 70 0.711 6.964 -2.254 1.00 0.00 C ATOM 1064 OG SER A 70 0.557 7.924 -3.285 1.00 0.00 O ATOM 0 H SER A 70 -0.022 5.447 -0.457 1.00 0.00 H new ATOM 0 HA SER A 70 -1.074 6.018 -2.988 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.415 7.400 -1.300 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.761 6.686 -2.165 1.00 0.00 H new ATOM 0 HG SER A 70 1.103 8.712 -3.082 1.00 0.00 H new ATOM 1070 N ASP A 71 1.461 3.940 -2.971 1.00 0.00 N ATOM 1071 CA ASP A 71 2.226 3.009 -3.792 1.00 0.00 C ATOM 1072 C ASP A 71 1.317 1.945 -4.398 1.00 0.00 C ATOM 1073 O ASP A 71 1.609 1.398 -5.462 1.00 0.00 O ATOM 1074 CB ASP A 71 3.324 2.346 -2.959 1.00 0.00 C ATOM 1075 CG ASP A 71 4.452 1.804 -3.814 1.00 0.00 C ATOM 1076 OD1 ASP A 71 4.597 2.264 -4.966 1.00 0.00 O ATOM 1077 OD2 ASP A 71 5.190 0.918 -3.333 1.00 0.00 O ATOM 0 H ASP A 71 1.642 3.867 -1.970 1.00 0.00 H new ATOM 0 HA ASP A 71 2.686 3.572 -4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.725 3.070 -2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.892 1.533 -2.375 1.00 0.00 H new ATOM 1082 N CYS A 72 0.215 1.656 -3.715 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.736 0.656 -4.185 1.00 0.00 C ATOM 1084 C CYS A 72 -1.353 1.076 -5.515 1.00 0.00 C ATOM 1085 O CYS A 72 -2.414 1.700 -5.551 1.00 0.00 O ATOM 1086 CB CYS A 72 -1.836 0.439 -3.145 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.232 -0.138 -1.542 1.00 0.00 S ATOM 0 H CYS A 72 -0.042 2.100 -2.834 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.197 -0.280 -4.334 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.376 1.375 -3.002 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.551 -0.286 -3.534 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.235 -0.290 -0.729 1.00 0.00 H new ATOM 1093 N LEU A 73 -0.681 0.730 -6.608 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.162 1.072 -7.942 1.00 0.00 C ATOM 1095 C LEU A 73 -2.595 0.588 -8.145 1.00 0.00 C ATOM 1096 O LEU A 73 -3.481 1.369 -8.493 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.250 0.462 -9.007 1.00 0.00 C ATOM 1098 CG LEU A 73 1.138 1.091 -9.143 1.00 0.00 C ATOM 1099 CD1 LEU A 73 2.094 0.129 -9.831 1.00 0.00 C ATOM 1100 CD2 LEU A 73 1.056 2.403 -9.908 1.00 0.00 C ATOM 0 H LEU A 73 0.198 0.213 -6.596 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.147 2.158 -8.039 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.126 -0.598 -8.787 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.754 0.531 -9.971 1.00 0.00 H new ATOM 0 HG LEU A 73 1.521 1.300 -8.144 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.076 0.593 -9.919 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.176 -0.785 -9.243 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.716 -0.111 -10.825 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.052 2.836 -9.995 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.652 2.219 -10.903 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.405 3.095 -9.374 1.00 0.00 H new ATOM 1112 N ARG A 74 -2.814 -0.704 -7.924 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.139 -1.292 -8.082 1.00 0.00 C ATOM 1114 C ARG A 74 -4.343 -2.442 -7.101 1.00 0.00 C ATOM 1115 O ARG A 74 -3.394 -3.133 -6.731 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.331 -1.790 -9.516 1.00 0.00 C ATOM 1117 CG ARG A 74 -5.723 -2.336 -9.789 1.00 0.00 C ATOM 1118 CD ARG A 74 -5.804 -3.826 -9.494 1.00 0.00 C ATOM 1119 NE ARG A 74 -7.171 -4.330 -9.594 1.00 0.00 N ATOM 1120 CZ ARG A 74 -7.817 -4.479 -10.746 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -7.223 -4.164 -11.888 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -9.060 -4.944 -10.755 1.00 0.00 N ATOM 0 H ARG A 74 -2.091 -1.363 -7.635 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.880 -0.521 -7.870 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.129 -0.971 -10.206 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.597 -2.569 -9.723 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.451 -1.803 -9.177 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.988 -2.155 -10.831 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.166 -4.369 -10.191 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.419 -4.019 -8.493 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.656 -4.581 -8.733 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.268 -3.806 -11.884 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.721 -4.279 -12.771 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.520 -5.187 -9.878 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.555 -5.058 -11.639 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.589 -2.641 -6.682 1.00 0.00 N ATOM 1137 CA VAL A 75 -5.919 -3.708 -5.744 1.00 0.00 C ATOM 1138 C VAL A 75 -7.185 -4.442 -6.171 1.00 0.00 C ATOM 1139 O VAL A 75 -7.901 -3.998 -7.068 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.112 -3.161 -4.318 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -4.940 -2.275 -3.922 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.425 -2.400 -4.212 1.00 0.00 C ATOM 0 H VAL A 75 -6.386 -2.077 -6.977 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.080 -4.404 -5.748 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.150 -4.003 -3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.094 -1.898 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.018 -2.855 -3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.867 -1.437 -4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.545 -2.021 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.419 -1.565 -4.913 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.253 -3.068 -4.450 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.456 -5.570 -5.521 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.637 -6.365 -5.831 1.00 0.00 C ATOM 1154 C ALA A 76 -8.865 -7.444 -4.777 1.00 0.00 C ATOM 1155 O ALA A 76 -8.076 -7.588 -3.844 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.504 -6.993 -7.211 1.00 0.00 C ATOM 0 H ALA A 76 -6.873 -5.953 -4.777 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.502 -5.701 -5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.394 -7.584 -7.429 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.398 -6.208 -7.959 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.625 -7.638 -7.234 1.00 0.00 H new ATOM 1162 N GLU A 77 -9.949 -8.197 -4.932 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.281 -9.261 -3.992 1.00 0.00 C ATOM 1164 C GLU A 77 -10.170 -10.629 -4.658 1.00 0.00 C ATOM 1165 O GLU A 77 -10.760 -10.868 -5.711 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.694 -9.062 -3.440 1.00 0.00 C ATOM 1167 CG GLU A 77 -11.943 -7.666 -2.894 1.00 0.00 C ATOM 1168 CD GLU A 77 -12.402 -6.695 -3.963 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -11.538 -6.169 -4.697 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -13.624 -6.459 -4.067 1.00 0.00 O ATOM 0 H GLU A 77 -10.612 -8.090 -5.699 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.569 -9.219 -3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.416 -9.268 -4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.872 -9.790 -2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.696 -7.717 -2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.028 -7.290 -2.436 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.410 -11.524 -4.035 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.223 -12.869 -4.566 1.00 0.00 C ATOM 1179 C ALA A 78 -10.210 -13.848 -3.939 1.00 0.00 C ATOM 1180 O ALA A 78 -11.156 -14.292 -4.588 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.793 -13.334 -4.332 1.00 0.00 C ATOM 0 H ALA A 78 -8.914 -11.342 -3.162 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.413 -12.840 -5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.667 -14.340 -4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.103 -12.655 -4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.583 -13.341 -3.262 1.00 0.00 H new ATOM 1187 N GLY A 79 -9.981 -14.183 -2.672 1.00 0.00 N ATOM 1188 CA GLY A 79 -10.858 -15.108 -1.980 1.00 0.00 C ATOM 1189 C GLY A 79 -11.040 -16.410 -2.735 1.00 0.00 C ATOM 1190 O GLY A 79 -11.804 -16.476 -3.697 1.00 0.00 O ATOM 0 H GLY A 79 -9.204 -13.830 -2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.451 -15.319 -0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.831 -14.639 -1.831 1.00 0.00 H new ATOM 1194 N GLY A 80 -10.334 -17.449 -2.299 1.00 0.00 N ATOM 1195 CA GLY A 80 -10.434 -18.741 -2.954 1.00 0.00 C ATOM 1196 C GLY A 80 -9.160 -19.122 -3.681 1.00 0.00 C ATOM 1197 O GLY A 80 -8.303 -19.808 -3.125 1.00 0.00 O ATOM 0 H GLY A 80 -9.695 -17.419 -1.505 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.667 -19.504 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.262 -18.722 -3.663 1.00 0.00 H new ATOM 1201 N GLU A 81 -9.036 -18.678 -4.928 1.00 0.00 N ATOM 1202 CA GLU A 81 -7.858 -18.980 -5.732 1.00 0.00 C ATOM 1203 C GLU A 81 -6.601 -19.008 -4.868 1.00 0.00 C ATOM 1204 O GLU A 81 -5.884 -20.008 -4.828 1.00 0.00 O ATOM 1205 CB GLU A 81 -7.698 -17.948 -6.851 1.00 0.00 C ATOM 1206 CG GLU A 81 -8.742 -18.073 -7.947 1.00 0.00 C ATOM 1207 CD GLU A 81 -8.405 -17.243 -9.171 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -7.435 -17.592 -9.876 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -9.112 -16.245 -9.424 1.00 0.00 O ATOM 0 H GLU A 81 -9.736 -18.108 -5.403 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.996 -19.967 -6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.752 -16.948 -6.422 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.706 -18.053 -7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.836 -19.120 -8.237 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.711 -17.762 -7.557 1.00 0.00 H new ATOM 1216 N ALA A 82 -6.341 -17.903 -4.177 1.00 0.00 N ATOM 1217 CA ALA A 82 -5.172 -17.801 -3.312 1.00 0.00 C ATOM 1218 C ALA A 82 -4.978 -19.076 -2.498 1.00 0.00 C ATOM 1219 O ALA A 82 -5.898 -19.881 -2.360 1.00 0.00 O ATOM 1220 CB ALA A 82 -5.303 -16.598 -2.389 1.00 0.00 C ATOM 0 H ALA A 82 -6.924 -17.066 -4.199 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.294 -17.668 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.423 -16.533 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.385 -15.689 -2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.194 -16.709 -1.771 1.00 0.00 H new ATOM 1226 N SER A 83 -3.775 -19.253 -1.962 1.00 0.00 N ATOM 1227 CA SER A 83 -3.458 -20.432 -1.166 1.00 0.00 C ATOM 1228 C SER A 83 -4.229 -20.422 0.151 1.00 0.00 C ATOM 1229 O SER A 83 -4.394 -21.458 0.795 1.00 0.00 O ATOM 1230 CB SER A 83 -1.955 -20.499 -0.889 1.00 0.00 C ATOM 1231 OG SER A 83 -1.619 -21.678 -0.178 1.00 0.00 O ATOM 0 H SER A 83 -3.003 -18.594 -2.065 1.00 0.00 H new ATOM 0 HA SER A 83 -3.755 -21.313 -1.735 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.407 -20.470 -1.831 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.649 -19.625 -0.315 1.00 0.00 H new ATOM 0 HG SER A 83 -0.653 -21.698 -0.015 1.00 0.00 H new ATOM 1237 N SER A 84 -4.699 -19.242 0.545 1.00 0.00 N ATOM 1238 CA SER A 84 -5.450 -19.094 1.786 1.00 0.00 C ATOM 1239 C SER A 84 -6.587 -20.108 1.858 1.00 0.00 C ATOM 1240 O SER A 84 -7.110 -20.566 0.841 1.00 0.00 O ATOM 1241 CB SER A 84 -6.009 -17.675 1.903 1.00 0.00 C ATOM 1242 OG SER A 84 -7.261 -17.565 1.249 1.00 0.00 O ATOM 0 H SER A 84 -4.573 -18.375 0.023 1.00 0.00 H new ATOM 0 HA SER A 84 -4.769 -19.278 2.617 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.120 -17.410 2.954 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.304 -16.966 1.468 1.00 0.00 H new ATOM 0 HG SER A 84 -7.981 -17.607 1.912 1.00 0.00 H new ATOM 1248 N PRO A 85 -6.981 -20.469 3.088 1.00 0.00 N ATOM 1249 CA PRO A 85 -8.060 -21.432 3.324 1.00 0.00 C ATOM 1250 C PRO A 85 -9.428 -20.875 2.943 1.00 0.00 C ATOM 1251 O PRO A 85 -9.563 -19.688 2.645 1.00 0.00 O ATOM 1252 CB PRO A 85 -7.987 -21.686 4.831 1.00 0.00 C ATOM 1253 CG PRO A 85 -7.362 -20.456 5.393 1.00 0.00 C ATOM 1254 CD PRO A 85 -6.402 -19.964 4.345 1.00 0.00 C ATOM 0 HA PRO A 85 -7.941 -22.332 2.721 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -8.978 -21.854 5.252 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -7.391 -22.571 5.055 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.117 -19.702 5.616 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -6.843 -20.673 6.327 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.329 -18.876 4.346 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.396 -20.351 4.508 1.00 0.00 H new ATOM 1262 N ARG A 86 -10.438 -21.738 2.957 1.00 0.00 N ATOM 1263 CA ARG A 86 -11.795 -21.331 2.612 1.00 0.00 C ATOM 1264 C ARG A 86 -12.381 -20.425 3.691 1.00 0.00 C ATOM 1265 O ARG A 86 -13.293 -19.640 3.428 1.00 0.00 O ATOM 1266 CB ARG A 86 -12.686 -22.560 2.424 1.00 0.00 C ATOM 1267 CG ARG A 86 -13.087 -23.228 3.730 1.00 0.00 C ATOM 1268 CD ARG A 86 -13.349 -24.713 3.539 1.00 0.00 C ATOM 1269 NE ARG A 86 -12.207 -25.398 2.939 1.00 0.00 N ATOM 1270 CZ ARG A 86 -12.190 -26.698 2.665 1.00 0.00 C ATOM 1271 NH1 ARG A 86 -13.248 -27.449 2.936 1.00 0.00 N ATOM 1272 NH2 ARG A 86 -11.113 -27.248 2.119 1.00 0.00 N ATOM 0 H ARG A 86 -10.343 -22.723 3.203 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.754 -20.774 1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.586 -22.266 1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.163 -23.285 1.800 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.297 -23.089 4.468 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.982 -22.748 4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.579 -25.167 4.503 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.226 -24.848 2.906 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.377 -24.848 2.718 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.077 -27.029 3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.233 -28.447 2.725 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.297 -26.673 1.909 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.101 -28.246 1.909 1.00 0.00 H new ATOM 1286 N ASP A 87 -11.852 -20.539 4.904 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.322 -19.730 6.022 1.00 0.00 C ATOM 1288 C ASP A 87 -11.685 -18.344 5.995 1.00 0.00 C ATOM 1289 O ASP A 87 -11.718 -17.614 6.987 1.00 0.00 O ATOM 1290 CB ASP A 87 -12.008 -20.423 7.349 1.00 0.00 C ATOM 1291 CG ASP A 87 -13.122 -21.348 7.797 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -13.957 -21.725 6.948 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -13.159 -21.695 8.996 1.00 0.00 O ATOM 0 H ASP A 87 -11.097 -21.184 5.138 1.00 0.00 H new ATOM 0 HA ASP A 87 -13.402 -19.616 5.927 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.085 -20.993 7.248 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -11.835 -19.669 8.117 1.00 0.00 H new ATOM 1298 N THR A 88 -11.105 -17.986 4.853 1.00 0.00 N ATOM 1299 CA THR A 88 -10.459 -16.689 4.698 1.00 0.00 C ATOM 1300 C THR A 88 -10.606 -16.170 3.272 1.00 0.00 C ATOM 1301 O THR A 88 -11.162 -16.848 2.408 1.00 0.00 O ATOM 1302 CB THR A 88 -8.962 -16.761 5.054 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.320 -17.774 4.271 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.772 -17.060 6.533 1.00 0.00 C ATOM 0 H THR A 88 -11.070 -18.577 4.022 1.00 0.00 H new ATOM 0 HA THR A 88 -10.956 -16.004 5.385 1.00 0.00 H new ATOM 0 HB THR A 88 -8.512 -15.793 4.834 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.993 -18.263 3.753 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.707 -17.106 6.761 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.236 -16.272 7.126 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.236 -18.016 6.773 1.00 0.00 H new ATOM 1312 N SER A 89 -10.104 -14.962 3.032 1.00 0.00 N ATOM 1313 CA SER A 89 -10.183 -14.350 1.711 1.00 0.00 C ATOM 1314 C SER A 89 -8.967 -13.467 1.448 1.00 0.00 C ATOM 1315 O SER A 89 -8.768 -12.452 2.114 1.00 0.00 O ATOM 1316 CB SER A 89 -11.464 -13.524 1.584 1.00 0.00 C ATOM 1317 OG SER A 89 -12.583 -14.354 1.324 1.00 0.00 O ATOM 0 H SER A 89 -9.638 -14.388 3.735 1.00 0.00 H new ATOM 0 HA SER A 89 -10.199 -15.148 0.968 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.630 -12.962 2.503 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.353 -12.796 0.780 1.00 0.00 H new ATOM 0 HG SER A 89 -12.347 -15.288 1.507 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.156 -13.864 0.473 1.00 0.00 N ATOM 1324 CA ALA A 90 -6.960 -13.109 0.119 1.00 0.00 C ATOM 1325 C ALA A 90 -7.286 -11.998 -0.874 1.00 0.00 C ATOM 1326 O ALA A 90 -8.249 -12.095 -1.635 1.00 0.00 O ATOM 1327 CB ALA A 90 -5.900 -14.038 -0.453 1.00 0.00 C ATOM 0 H ALA A 90 -8.305 -14.704 -0.086 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.570 -12.646 1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.013 -13.461 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.638 -14.792 0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.289 -14.528 -1.346 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.478 -10.943 -0.861 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.681 -9.813 -1.759 1.00 0.00 C ATOM 1335 C PHE A 91 -5.415 -9.520 -2.560 1.00 0.00 C ATOM 1336 O PHE A 91 -4.329 -9.989 -2.219 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.095 -8.572 -0.966 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.067 -8.129 0.035 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -5.857 -8.852 1.198 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.309 -6.991 -0.188 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -4.912 -8.446 2.121 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.362 -6.581 0.731 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.163 -7.310 1.887 1.00 0.00 C ATOM 0 H PHE A 91 -5.676 -10.847 -0.238 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.478 -10.073 -2.455 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.289 -7.755 -1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.031 -8.778 -0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.438 -9.743 1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.460 -6.418 -1.091 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.759 -9.017 3.025 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.778 -5.692 0.545 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.423 -6.992 2.607 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.564 -8.742 -3.626 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.434 -8.387 -4.477 1.00 0.00 C ATOM 1355 C PHE A 92 -3.837 -7.047 -4.057 1.00 0.00 C ATOM 1356 O PHE A 92 -4.508 -6.223 -3.434 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.871 -8.326 -5.943 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.901 -9.669 -6.615 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.727 -10.278 -7.027 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -6.103 -10.322 -6.835 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.752 -11.513 -7.647 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -6.134 -11.558 -7.454 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.957 -12.154 -7.859 1.00 0.00 C ATOM 0 H PHE A 92 -6.456 -8.345 -3.922 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.671 -9.157 -4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.863 -7.878 -6.000 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.193 -7.670 -6.489 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.782 -9.782 -6.862 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.027 -9.860 -6.519 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.830 -11.977 -7.965 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.078 -12.056 -7.620 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.978 -13.120 -8.341 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.572 -6.836 -4.403 1.00 0.00 N ATOM 1374 CA LEU A 93 -1.882 -5.597 -4.062 1.00 0.00 C ATOM 1375 C LEU A 93 -0.732 -5.330 -5.028 1.00 0.00 C ATOM 1376 O LEU A 93 0.306 -5.986 -4.968 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.353 -5.662 -2.628 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.222 -4.324 -1.899 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -0.750 -4.539 -0.470 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.269 -3.402 -2.645 1.00 0.00 C ATOM 0 H LEU A 93 -2.003 -7.507 -4.920 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.597 -4.779 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.013 -6.306 -2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.374 -6.141 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.203 -3.851 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.663 -3.576 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.470 -5.162 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.221 -5.034 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.188 -2.455 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.714 -3.869 -2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.650 -3.221 -3.650 1.00 0.00 H new ATOM 1392 N GLU A 94 -0.926 -4.360 -5.917 1.00 0.00 N ATOM 1393 CA GLU A 94 0.096 -4.005 -6.895 1.00 0.00 C ATOM 1394 C GLU A 94 0.751 -2.674 -6.539 1.00 0.00 C ATOM 1395 O GLU A 94 0.068 -1.684 -6.273 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.513 -3.929 -8.296 1.00 0.00 C ATOM 1397 CG GLU A 94 0.499 -4.134 -9.411 1.00 0.00 C ATOM 1398 CD GLU A 94 -0.148 -4.557 -10.716 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -1.328 -4.209 -10.932 1.00 0.00 O ATOM 1400 OE2 GLU A 94 0.524 -5.235 -11.520 1.00 0.00 O ATOM 0 H GLU A 94 -1.781 -3.807 -5.980 1.00 0.00 H new ATOM 0 HA GLU A 94 0.861 -4.781 -6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.296 -4.682 -8.384 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.990 -2.957 -8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.053 -3.209 -9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.222 -4.891 -9.106 1.00 0.00 H new ATOM 1407 N THR A 95 2.080 -2.657 -6.536 1.00 0.00 N ATOM 1408 CA THR A 95 2.828 -1.449 -6.212 1.00 0.00 C ATOM 1409 C THR A 95 3.935 -1.198 -7.230 1.00 0.00 C ATOM 1410 O THR A 95 4.246 -2.061 -8.051 1.00 0.00 O ATOM 1411 CB THR A 95 3.450 -1.533 -4.805 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.354 -2.641 -4.735 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.369 -1.685 -3.745 1.00 0.00 C ATOM 0 H THR A 95 2.661 -3.467 -6.754 1.00 0.00 H new ATOM 0 HA THR A 95 2.119 -0.622 -6.239 1.00 0.00 H new ATOM 0 HB THR A 95 3.995 -0.608 -4.616 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.142 -3.282 -5.446 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.831 -1.742 -2.760 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.699 -0.826 -3.782 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.801 -2.596 -3.933 1.00 0.00 H new ATOM 1421 N LYS A 96 4.528 -0.010 -7.171 1.00 0.00 N ATOM 1422 CA LYS A 96 5.603 0.355 -8.086 1.00 0.00 C ATOM 1423 C LYS A 96 6.711 -0.694 -8.071 1.00 0.00 C ATOM 1424 O LYS A 96 7.282 -1.022 -9.110 1.00 0.00 O ATOM 1425 CB LYS A 96 6.176 1.724 -7.712 1.00 0.00 C ATOM 1426 CG LYS A 96 5.434 2.888 -8.345 1.00 0.00 C ATOM 1427 CD LYS A 96 5.903 4.219 -7.784 1.00 0.00 C ATOM 1428 CE LYS A 96 4.827 5.288 -7.911 1.00 0.00 C ATOM 1429 NZ LYS A 96 5.381 6.657 -7.724 1.00 0.00 N ATOM 0 H LYS A 96 4.282 0.717 -6.499 1.00 0.00 H new ATOM 0 HA LYS A 96 5.188 0.404 -9.093 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.151 1.835 -6.628 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.223 1.765 -8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.585 2.873 -9.424 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.364 2.776 -8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.175 4.098 -6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.801 4.541 -8.311 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.358 5.217 -8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.047 5.108 -7.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.617 7.356 -7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.806 6.733 -6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.108 6.839 -8.445 1.00 0.00 H new ATOM 1443 N GLU A 97 7.008 -1.216 -6.885 1.00 0.00 N ATOM 1444 CA GLU A 97 8.047 -2.228 -6.736 1.00 0.00 C ATOM 1445 C GLU A 97 7.652 -3.522 -7.443 1.00 0.00 C ATOM 1446 O GLU A 97 8.322 -3.959 -8.379 1.00 0.00 O ATOM 1447 CB GLU A 97 8.312 -2.504 -5.254 1.00 0.00 C ATOM 1448 CG GLU A 97 9.552 -3.347 -5.005 1.00 0.00 C ATOM 1449 CD GLU A 97 10.108 -3.166 -3.605 1.00 0.00 C ATOM 1450 OE1 GLU A 97 10.184 -2.010 -3.141 1.00 0.00 O ATOM 1451 OE2 GLU A 97 10.465 -4.183 -2.974 1.00 0.00 O ATOM 0 H GLU A 97 6.544 -0.955 -6.015 1.00 0.00 H new ATOM 0 HA GLU A 97 8.959 -1.847 -7.196 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.417 -1.554 -4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.447 -3.011 -4.827 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.310 -4.398 -5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.319 -3.083 -5.734 1.00 0.00 H new ATOM 1458 N ARG A 98 6.562 -4.129 -6.987 1.00 0.00 N ATOM 1459 CA ARG A 98 6.079 -5.373 -7.574 1.00 0.00 C ATOM 1460 C ARG A 98 4.678 -5.705 -7.068 1.00 0.00 C ATOM 1461 O ARG A 98 4.076 -4.931 -6.323 1.00 0.00 O ATOM 1462 CB ARG A 98 7.036 -6.521 -7.248 1.00 0.00 C ATOM 1463 CG ARG A 98 7.225 -6.752 -5.757 1.00 0.00 C ATOM 1464 CD ARG A 98 8.443 -7.619 -5.478 1.00 0.00 C ATOM 1465 NE ARG A 98 8.305 -8.371 -4.234 1.00 0.00 N ATOM 1466 CZ ARG A 98 9.338 -8.821 -3.529 1.00 0.00 C ATOM 1467 NH1 ARG A 98 10.576 -8.597 -3.945 1.00 0.00 N ATOM 1468 NH2 ARG A 98 9.132 -9.498 -2.407 1.00 0.00 N ATOM 0 H ARG A 98 5.997 -3.780 -6.213 1.00 0.00 H new ATOM 0 HA ARG A 98 6.035 -5.242 -8.655 1.00 0.00 H new ATOM 0 HB2 ARG A 98 6.660 -7.437 -7.704 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.006 -6.314 -7.701 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.336 -5.793 -5.250 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.335 -7.229 -5.346 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.592 -8.312 -6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.332 -6.990 -5.425 1.00 0.00 H new ATOM 0 HE ARG A 98 7.365 -8.561 -3.887 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.738 -8.078 -4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.367 -8.943 -3.402 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.180 -9.674 -2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.925 -9.843 -1.867 1.00 0.00 H new ATOM 1482 N LEU A 99 4.165 -6.860 -7.477 1.00 0.00 N ATOM 1483 CA LEU A 99 2.835 -7.295 -7.065 1.00 0.00 C ATOM 1484 C LEU A 99 2.916 -8.246 -5.876 1.00 0.00 C ATOM 1485 O LEU A 99 3.518 -9.317 -5.964 1.00 0.00 O ATOM 1486 CB LEU A 99 2.117 -7.978 -8.231 1.00 0.00 C ATOM 1487 CG LEU A 99 0.729 -8.544 -7.925 1.00 0.00 C ATOM 1488 CD1 LEU A 99 -0.335 -7.470 -8.097 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.432 -9.739 -8.819 1.00 0.00 C ATOM 0 H LEU A 99 4.650 -7.512 -8.094 1.00 0.00 H new ATOM 0 HA LEU A 99 2.269 -6.414 -6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.023 -7.259 -9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.747 -8.790 -8.594 1.00 0.00 H new ATOM 0 HG LEU A 99 0.714 -8.879 -6.888 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.316 -7.891 -7.875 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.132 -6.644 -7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.321 -7.105 -9.124 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.559 -10.129 -8.588 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.465 -9.429 -9.864 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.177 -10.516 -8.647 1.00 0.00 H new ATOM 1501 N TYR A 100 2.305 -7.850 -4.765 1.00 0.00 N ATOM 1502 CA TYR A 100 2.309 -8.667 -3.557 1.00 0.00 C ATOM 1503 C TYR A 100 0.957 -9.344 -3.354 1.00 0.00 C ATOM 1504 O TYR A 100 -0.089 -8.779 -3.677 1.00 0.00 O ATOM 1505 CB TYR A 100 2.652 -7.810 -2.338 1.00 0.00 C ATOM 1506 CG TYR A 100 4.004 -7.139 -2.429 1.00 0.00 C ATOM 1507 CD1 TYR A 100 5.170 -7.843 -2.157 1.00 0.00 C ATOM 1508 CD2 TYR A 100 4.114 -5.802 -2.789 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.407 -7.234 -2.239 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.347 -5.185 -2.874 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.491 -5.905 -2.598 1.00 0.00 C ATOM 1512 OH TYR A 100 7.721 -5.295 -2.682 1.00 0.00 O ATOM 0 H TYR A 100 1.800 -6.968 -4.676 1.00 0.00 H new ATOM 0 HA TYR A 100 3.068 -9.440 -3.673 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.884 -7.046 -2.214 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.626 -8.436 -1.446 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.108 -8.884 -1.877 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.221 -5.235 -3.006 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.304 -7.796 -2.023 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.415 -4.144 -3.155 1.00 0.00 H new ATOM 0 HH TYR A 100 7.604 -4.359 -2.948 1.00 0.00 H new ATOM 1522 N LEU A 101 0.986 -10.558 -2.815 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.236 -11.314 -2.567 1.00 0.00 C ATOM 1524 C LEU A 101 -0.386 -11.635 -1.083 1.00 0.00 C ATOM 1525 O LEU A 101 0.205 -12.592 -0.581 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.234 -12.609 -3.382 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.437 -13.530 -3.183 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.655 -12.982 -3.911 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -1.116 -14.938 -3.662 1.00 0.00 C ATOM 0 H LEU A 101 1.843 -11.040 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.082 -10.700 -2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.172 -12.349 -4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.670 -13.167 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.665 -13.573 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.502 -13.651 -3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.898 -11.994 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.439 -12.908 -4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.984 -15.580 -3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.862 -14.913 -4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.272 -15.331 -3.095 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.181 -10.830 -0.386 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.411 -11.029 1.040 1.00 0.00 C ATOM 1543 C LEU A 102 -2.749 -11.720 1.285 1.00 0.00 C ATOM 1544 O LEU A 102 -3.596 -11.786 0.395 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.374 -9.688 1.775 1.00 0.00 C ATOM 1546 CG LEU A 102 -0.007 -9.011 1.868 1.00 0.00 C ATOM 1547 CD1 LEU A 102 0.219 -8.098 0.673 1.00 0.00 C ATOM 1548 CD2 LEU A 102 0.115 -8.230 3.168 1.00 0.00 C ATOM 0 H LEU A 102 -1.677 -10.033 -0.786 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.617 -11.669 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.062 -9.005 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.751 -9.840 2.786 1.00 0.00 H new ATOM 0 HG LEU A 102 0.761 -9.785 1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.197 -7.625 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.176 -8.683 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.555 -7.330 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.095 -7.755 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.661 -7.466 3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.001 -8.909 4.013 1.00 0.00 H new ATOM 1560 N ALA A 103 -2.932 -12.230 2.498 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.168 -12.912 2.862 1.00 0.00 C ATOM 1562 C ALA A 103 -4.892 -12.175 3.984 1.00 0.00 C ATOM 1563 O ALA A 103 -4.260 -11.621 4.883 1.00 0.00 O ATOM 1564 CB ALA A 103 -3.878 -14.348 3.271 1.00 0.00 C ATOM 0 H ALA A 103 -2.240 -12.184 3.246 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.820 -12.920 1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.810 -14.845 3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.412 -14.876 2.439 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.204 -14.353 4.127 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.219 -12.173 3.925 1.00 0.00 N ATOM 1571 CA ALA A 104 -7.028 -11.505 4.937 1.00 0.00 C ATOM 1572 C ALA A 104 -8.265 -12.328 5.282 1.00 0.00 C ATOM 1573 O ALA A 104 -8.824 -13.035 4.442 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.431 -10.118 4.460 1.00 0.00 C ATOM 0 H ALA A 104 -6.757 -12.627 3.187 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.426 -11.406 5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.035 -9.631 5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.537 -9.524 4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.011 -10.204 3.541 1.00 0.00 H new ATOM 1580 N PRO A 105 -8.704 -12.237 6.546 1.00 0.00 N ATOM 1581 CA PRO A 105 -9.880 -12.966 7.030 1.00 0.00 C ATOM 1582 C PRO A 105 -11.179 -12.432 6.437 1.00 0.00 C ATOM 1583 O PRO A 105 -11.486 -11.246 6.558 1.00 0.00 O ATOM 1584 CB PRO A 105 -9.845 -12.731 8.542 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.101 -11.451 8.709 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.087 -11.414 7.599 1.00 0.00 C ATOM 0 HA PRO A 105 -9.852 -14.018 6.748 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -10.851 -12.661 8.955 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.345 -13.550 9.059 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.776 -10.597 8.650 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.615 -11.406 9.684 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.903 -10.396 7.257 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.128 -11.822 7.917 1.00 0.00 H new ATOM 1594 N ALA A 106 -11.938 -13.314 5.796 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.205 -12.931 5.186 1.00 0.00 C ATOM 1596 C ALA A 106 -13.955 -11.930 6.060 1.00 0.00 C ATOM 1597 O ALA A 106 -14.748 -11.131 5.564 1.00 0.00 O ATOM 1598 CB ALA A 106 -14.064 -14.162 4.935 1.00 0.00 C ATOM 0 H ALA A 106 -11.697 -14.299 5.686 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.989 -12.451 4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.007 -13.861 4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.538 -14.842 4.265 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.263 -14.666 5.881 1.00 0.00 H new ATOM 1604 N ALA A 107 -13.698 -11.981 7.363 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.347 -11.078 8.305 1.00 0.00 C ATOM 1606 C ALA A 107 -13.894 -9.638 8.087 1.00 0.00 C ATOM 1607 O ALA A 107 -14.716 -8.726 8.007 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.061 -11.512 9.735 1.00 0.00 C ATOM 0 H ALA A 107 -13.045 -12.638 7.790 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.422 -11.123 8.131 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.552 -10.828 10.428 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.440 -12.522 9.892 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.986 -11.497 9.912 1.00 0.00 H new ATOM 1614 N GLU A 108 -12.583 -9.443 7.991 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.022 -8.113 7.783 1.00 0.00 C ATOM 1616 C GLU A 108 -11.879 -7.810 6.295 1.00 0.00 C ATOM 1617 O GLU A 108 -12.269 -6.739 5.828 1.00 0.00 O ATOM 1618 CB GLU A 108 -10.661 -7.996 8.472 1.00 0.00 C ATOM 1619 CG GLU A 108 -10.679 -8.419 9.932 1.00 0.00 C ATOM 1620 CD GLU A 108 -11.066 -7.287 10.863 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -12.275 -7.125 11.131 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -10.159 -6.562 11.324 1.00 0.00 O ATOM 0 H GLU A 108 -11.890 -10.188 8.054 1.00 0.00 H new ATOM 0 HA GLU A 108 -12.706 -7.385 8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.937 -8.608 7.934 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.317 -6.964 8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.380 -9.244 10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.693 -8.792 10.210 1.00 0.00 H new ATOM 1629 N ARG A 109 -11.316 -8.759 5.555 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.119 -8.594 4.120 1.00 0.00 C ATOM 1631 C ARG A 109 -12.257 -7.785 3.505 1.00 0.00 C ATOM 1632 O ARG A 109 -12.025 -6.856 2.732 1.00 0.00 O ATOM 1633 CB ARG A 109 -11.021 -9.958 3.436 1.00 0.00 C ATOM 1634 CG ARG A 109 -10.688 -9.875 1.955 1.00 0.00 C ATOM 1635 CD ARG A 109 -11.946 -9.811 1.104 1.00 0.00 C ATOM 1636 NE ARG A 109 -12.379 -8.437 0.869 1.00 0.00 N ATOM 1637 CZ ARG A 109 -13.523 -8.118 0.274 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -14.345 -9.071 -0.144 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -13.848 -6.843 0.097 1.00 0.00 N ATOM 0 H ARG A 109 -10.988 -9.651 5.926 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.186 -8.052 3.967 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -10.258 -10.553 3.938 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -11.967 -10.485 3.558 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.075 -8.993 1.768 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.095 -10.742 1.665 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.762 -10.301 0.148 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.746 -10.364 1.597 1.00 0.00 H new ATOM 0 HE ARG A 109 -11.770 -7.680 1.179 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -14.099 -10.052 -0.009 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -15.223 -8.823 -0.601 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -13.219 -6.107 0.418 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -14.727 -6.599 -0.360 1.00 0.00 H new ATOM 1653 N GLY A 110 -13.488 -8.145 3.853 1.00 0.00 N ATOM 1654 CA GLY A 110 -14.644 -7.443 3.326 1.00 0.00 C ATOM 1655 C GLY A 110 -14.513 -5.938 3.447 1.00 0.00 C ATOM 1656 O GLY A 110 -14.793 -5.206 2.497 1.00 0.00 O ATOM 0 H GLY A 110 -13.706 -8.911 4.491 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -14.780 -7.710 2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -15.538 -7.771 3.857 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.088 -5.475 4.617 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.921 -4.046 4.859 1.00 0.00 C ATOM 1662 C ASP A 111 -12.553 -3.571 4.381 1.00 0.00 C ATOM 1663 O ASP A 111 -12.438 -2.532 3.730 1.00 0.00 O ATOM 1664 CB ASP A 111 -14.093 -3.736 6.346 1.00 0.00 C ATOM 1665 CG ASP A 111 -15.536 -3.456 6.717 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -16.072 -2.420 6.271 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -16.129 -4.272 7.453 1.00 0.00 O ATOM 0 H ASP A 111 -13.853 -6.068 5.413 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.687 -3.514 4.295 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.727 -4.577 6.934 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.480 -2.873 6.607 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.518 -4.335 4.711 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.157 -3.991 4.317 1.00 0.00 C ATOM 1674 C TRP A 112 -10.141 -3.309 2.954 1.00 0.00 C ATOM 1675 O TRP A 112 -9.959 -2.095 2.858 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.281 -5.245 4.284 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.677 -5.583 5.613 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -8.823 -6.750 6.307 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.832 -4.744 6.409 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -8.121 -6.687 7.487 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.503 -5.467 7.572 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.320 -3.453 6.251 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.687 -4.940 8.570 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.511 -2.932 7.242 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -6.200 -3.674 8.389 1.00 0.00 C ATOM 0 H TRP A 112 -11.595 -5.197 5.251 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.756 -3.296 5.055 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -9.879 -6.089 3.940 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.483 -5.103 3.556 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.405 -7.598 5.977 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -8.069 -7.428 8.186 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.553 -2.873 5.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.447 -5.510 9.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -6.111 -1.935 7.131 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.564 -3.238 9.145 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.332 -4.096 1.900 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.341 -3.567 0.542 1.00 0.00 C ATOM 1698 C VAL A 113 -11.143 -2.273 0.461 1.00 0.00 C ATOM 1699 O VAL A 113 -10.740 -1.323 -0.210 1.00 0.00 O ATOM 1700 CB VAL A 113 -10.929 -4.585 -0.454 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.050 -3.969 -1.839 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.076 -5.844 -0.494 1.00 0.00 C ATOM 0 H VAL A 113 -10.483 -5.103 1.961 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.304 -3.366 0.275 1.00 0.00 H new ATOM 0 HB VAL A 113 -11.928 -4.861 -0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.467 -4.703 -2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.706 -3.099 -1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.064 -3.662 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.506 -6.552 -1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.064 -5.588 -0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.047 -6.295 0.498 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.278 -2.243 1.151 1.00 0.00 N ATOM 1713 CA GLN A 114 -13.137 -1.065 1.157 1.00 0.00 C ATOM 1714 C GLN A 114 -12.363 0.171 1.603 1.00 0.00 C ATOM 1715 O GLN A 114 -12.277 1.159 0.875 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.339 -1.288 2.077 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.523 -0.388 1.760 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.000 -0.534 0.329 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -15.576 -1.439 -0.390 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -16.887 0.360 -0.093 1.00 0.00 N ATOM 0 H GLN A 114 -12.624 -3.021 1.713 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.493 -0.901 0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.654 -2.329 2.003 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.032 -1.120 3.109 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.344 -0.621 2.438 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.245 0.650 1.942 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -17.211 1.094 0.537 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -17.244 0.313 -1.047 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.800 0.108 2.806 1.00 0.00 N ATOM 1730 CA ALA A 115 -11.031 1.221 3.348 1.00 0.00 C ATOM 1731 C ALA A 115 -9.769 1.467 2.529 1.00 0.00 C ATOM 1732 O ALA A 115 -9.542 2.574 2.038 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.674 0.956 4.804 1.00 0.00 C ATOM 0 H ALA A 115 -11.862 -0.702 3.423 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.648 2.118 3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.100 1.795 5.196 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.587 0.837 5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.079 0.045 4.873 1.00 0.00 H new ATOM 1739 N ILE A 116 -8.950 0.431 2.386 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.711 0.536 1.626 1.00 0.00 C ATOM 1741 C ILE A 116 -7.965 1.111 0.236 1.00 0.00 C ATOM 1742 O ILE A 116 -7.141 1.851 -0.301 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.019 -0.833 1.484 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.782 -1.454 2.862 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -5.706 -0.687 0.729 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.243 -2.866 2.803 1.00 0.00 C ATOM 0 H ILE A 116 -9.122 -0.491 2.787 1.00 0.00 H new ATOM 0 HA ILE A 116 -7.057 1.209 2.181 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.671 -1.496 0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.082 -0.830 3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.720 -1.454 3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.229 -1.663 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -5.901 -0.283 -0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.047 -0.011 1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.099 -3.243 3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -6.952 -3.504 2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.289 -2.870 2.275 1.00 0.00 H new ATOM 1758 N CYS A 117 -9.112 0.767 -0.339 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.477 1.250 -1.666 1.00 0.00 C ATOM 1760 C CYS A 117 -10.059 2.658 -1.592 1.00 0.00 C ATOM 1761 O CYS A 117 -10.013 3.412 -2.564 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.485 0.302 -2.317 1.00 0.00 C ATOM 1763 SG CYS A 117 -11.008 0.804 -3.974 1.00 0.00 S ATOM 0 H CYS A 117 -9.805 0.156 0.093 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.573 1.282 -2.275 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.047 -0.695 -2.372 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.364 0.229 -1.677 1.00 0.00 H new ATOM 0 HG CYS A 117 -10.831 2.084 -4.116 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.607 3.005 -0.432 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.200 4.323 -0.231 1.00 0.00 C ATOM 1771 C LEU A 118 -10.119 5.386 -0.063 1.00 0.00 C ATOM 1772 O LEU A 118 -10.303 6.540 -0.453 1.00 0.00 O ATOM 1773 CB LEU A 118 -12.114 4.310 0.996 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.573 3.929 0.742 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -14.258 3.542 2.043 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -14.313 5.075 0.067 1.00 0.00 C ATOM 0 H LEU A 118 -10.653 2.393 0.383 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.790 4.568 -1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.699 3.614 1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.092 5.300 1.451 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.593 3.067 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -15.295 3.274 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.742 2.690 2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -14.228 4.384 2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.350 4.787 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.284 5.955 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.836 5.305 -0.886 1.00 0.00 H new ATOM 1788 N LEU A 119 -8.992 4.990 0.518 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.880 5.909 0.736 1.00 0.00 C ATOM 1790 C LEU A 119 -6.835 5.771 -0.368 1.00 0.00 C ATOM 1791 O LEU A 119 -6.398 6.763 -0.950 1.00 0.00 O ATOM 1792 CB LEU A 119 -7.236 5.648 2.099 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.929 6.289 3.302 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -7.397 5.701 4.599 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.742 7.799 3.283 1.00 0.00 C ATOM 0 H LEU A 119 -8.824 4.039 0.847 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.272 6.926 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.196 4.571 2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.206 6.004 2.066 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.996 6.074 3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.901 6.169 5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.583 4.627 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.325 5.885 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.242 8.238 4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.678 8.034 3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.172 8.207 2.368 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.442 4.533 -0.651 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.452 4.265 -1.687 1.00 0.00 C ATOM 1809 C ALA A 120 -5.884 4.857 -3.024 1.00 0.00 C ATOM 1810 O ALA A 120 -5.057 5.089 -3.907 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.221 2.767 -1.820 1.00 0.00 C ATOM 0 H ALA A 120 -6.794 3.701 -0.178 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.516 4.741 -1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.480 2.581 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.861 2.369 -0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.157 2.277 -2.087 1.00 0.00 H new ATOM 1817 N PHE A 121 -7.182 5.099 -3.168 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.724 5.663 -4.399 1.00 0.00 C ATOM 1819 C PHE A 121 -8.561 6.904 -4.107 1.00 0.00 C ATOM 1820 O PHE A 121 -9.619 7.107 -4.703 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.573 4.622 -5.131 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.860 3.320 -5.360 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.527 2.501 -4.293 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -7.523 2.915 -6.641 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -6.871 1.301 -4.500 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -6.868 1.717 -6.854 1.00 0.00 C ATOM 1827 CZ PHE A 121 -6.541 0.910 -5.782 1.00 0.00 C ATOM 0 H PHE A 121 -7.879 4.913 -2.447 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.888 5.953 -5.035 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.479 4.434 -4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.885 5.030 -6.092 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.783 2.803 -3.288 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -7.775 3.543 -7.483 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.617 0.671 -3.660 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -6.612 1.412 -7.858 1.00 0.00 H new ATOM 0 HZ PHE A 121 -6.028 -0.026 -5.947 1.00 0.00 H new ATOM 1837 N SER A 122 -8.079 7.732 -3.185 1.00 0.00 N ATOM 1838 CA SER A 122 -8.784 8.952 -2.809 1.00 0.00 C ATOM 1839 C SER A 122 -8.153 10.171 -3.475 1.00 0.00 C ATOM 1840 O SER A 122 -7.980 11.215 -2.848 1.00 0.00 O ATOM 1841 CB SER A 122 -8.774 9.124 -1.289 1.00 0.00 C ATOM 1842 OG SER A 122 -9.866 9.919 -0.859 1.00 0.00 O ATOM 0 H SER A 122 -7.203 7.580 -2.685 1.00 0.00 H new ATOM 0 HA SER A 122 -9.816 8.867 -3.151 1.00 0.00 H new ATOM 0 HB2 SER A 122 -8.820 8.147 -0.809 1.00 0.00 H new ATOM 0 HB3 SER A 122 -7.838 9.588 -0.978 1.00 0.00 H new ATOM 0 HG SER A 122 -9.838 10.013 0.116 1.00 0.00 H new ATOM 1848 N GLY A 123 -7.811 10.029 -4.752 1.00 0.00 N ATOM 1849 CA GLY A 123 -7.203 11.125 -5.483 1.00 0.00 C ATOM 1850 C GLY A 123 -7.467 11.046 -6.973 1.00 0.00 C ATOM 1851 O GLY A 123 -6.594 10.681 -7.762 1.00 0.00 O ATOM 0 H GLY A 123 -7.944 9.175 -5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.586 12.070 -5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -6.127 11.122 -5.307 1.00 0.00 H new ATOM 1855 N PRO A 124 -8.698 11.391 -7.379 1.00 0.00 N ATOM 1856 CA PRO A 124 -9.104 11.364 -8.788 1.00 0.00 C ATOM 1857 C PRO A 124 -8.421 12.452 -9.609 1.00 0.00 C ATOM 1858 O PRO A 124 -8.865 13.600 -9.626 1.00 0.00 O ATOM 1859 CB PRO A 124 -10.614 11.607 -8.727 1.00 0.00 C ATOM 1860 CG PRO A 124 -10.826 12.350 -7.453 1.00 0.00 C ATOM 1861 CD PRO A 124 -9.788 11.835 -6.495 1.00 0.00 C ATOM 0 HA PRO A 124 -8.829 10.428 -9.274 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -10.957 12.186 -9.585 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -11.167 10.668 -8.734 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -10.718 13.424 -7.605 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -11.831 12.182 -7.066 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -9.456 12.612 -5.807 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -10.173 11.015 -5.888 1.00 0.00 H new ATOM 1869 N SER A 125 -7.340 12.084 -10.289 1.00 0.00 N ATOM 1870 CA SER A 125 -6.595 13.031 -11.110 1.00 0.00 C ATOM 1871 C SER A 125 -7.510 13.707 -12.126 1.00 0.00 C ATOM 1872 O SER A 125 -8.228 13.040 -12.871 1.00 0.00 O ATOM 1873 CB SER A 125 -5.448 12.320 -11.832 1.00 0.00 C ATOM 1874 OG SER A 125 -4.636 11.605 -10.918 1.00 0.00 O ATOM 0 H SER A 125 -6.961 11.137 -10.288 1.00 0.00 H new ATOM 0 HA SER A 125 -6.182 13.797 -10.454 1.00 0.00 H new ATOM 0 HB2 SER A 125 -5.852 11.635 -12.577 1.00 0.00 H new ATOM 0 HB3 SER A 125 -4.842 13.051 -12.367 1.00 0.00 H new ATOM 0 HG SER A 125 -3.912 11.158 -11.404 1.00 0.00 H new ATOM 1880 N SER A 126 -7.477 15.036 -12.151 1.00 0.00 N ATOM 1881 CA SER A 126 -8.306 15.804 -13.073 1.00 0.00 C ATOM 1882 C SER A 126 -7.634 15.922 -14.437 1.00 0.00 C ATOM 1883 O SER A 126 -6.409 15.980 -14.536 1.00 0.00 O ATOM 1884 CB SER A 126 -8.581 17.197 -12.505 1.00 0.00 C ATOM 1885 OG SER A 126 -9.761 17.750 -13.061 1.00 0.00 O ATOM 0 H SER A 126 -6.885 15.603 -11.544 1.00 0.00 H new ATOM 0 HA SER A 126 -9.252 15.277 -13.198 1.00 0.00 H new ATOM 0 HB2 SER A 126 -8.679 17.138 -11.421 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.735 17.852 -12.714 1.00 0.00 H new ATOM 0 HG SER A 126 -9.916 18.640 -12.681 1.00 0.00 H new ATOM 1891 N GLY A 127 -8.446 15.958 -15.489 1.00 0.00 N ATOM 1892 CA GLY A 127 -7.913 16.069 -16.835 1.00 0.00 C ATOM 1893 C GLY A 127 -6.776 17.067 -16.927 1.00 0.00 C ATOM 1894 O GLY A 127 -5.837 16.878 -17.700 1.00 0.00 O ATOM 0 H GLY A 127 -9.463 15.912 -15.434 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -7.562 15.091 -17.165 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -8.711 16.368 -17.515 1.00 0.00 H new TER 1898 GLY A 127