USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 699 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 83 CYS SG : rot 170:sc= -0.0782 USER MOD Set 1.2: A 86 HIS : no HE2:sc= 0.0409 K(o=-0.037,f=-4.2!) USER MOD Set 2.1: A 78 THR OG1 : rot 49:sc= 1.13 USER MOD Set 2.2: A 80 THR OG1 : rot 92:sc= 1.67 USER MOD Set 2.3: A 94 LYS NZ :NH3+ -121:sc= 0.714 (180deg=-0.481) USER MOD Set 3.1: A 55 LYS NZ :NH3+ 164:sc= 1.69 (180deg=1.1) USER MOD Set 3.2: A 58 HIS : no HE2:sc= 1.09 K(o=4,f=-6.7!) USER MOD Set 3.3: A 82 TYR OH : rot -175:sc= 1.21 USER MOD Set 4.1: A 34 ASN : amide:sc= 1.18 K(o=2.7,f=-1) USER MOD Set 4.2: A 35 LYS NZ :NH3+ 179:sc= 1.55 (180deg=1.19) USER MOD Set 5.1: A 33 ASN : amide:sc= -10.4! C(o=-16!,f=-15!) USER MOD Set 5.2: A 37 SER OG : rot 94:sc=-0.00258 USER MOD Set 5.3: A 39 HIS : no HE2:sc= -5.39! C(o=-16!,f=-17!) USER MOD Set 6.1: A 2 ASN : amide:sc= -0.402 K(o=2.5,f=-2.2) USER MOD Set 6.2: A 4 THR OG1 : rot 180:sc= 0.425 USER MOD Set 6.3: A 30 LYS NZ :NH3+ -146:sc= 2.44 (180deg=1.18) USER MOD Single : A 1 ALA N :NH3+ -103:sc= 0.0398 (180deg=-1.23) USER MOD Single : A 6 LYS NZ :NH3+ -158:sc= 0.237 (180deg=0.211!) USER MOD Single : A 7 MET CE :methyl 179:sc= -0.244 (180deg=-0.247) USER MOD Single : A 9 SER OG : rot 49:sc= 1.17 USER MOD Single : A 11 SER OG : rot -20:sc= 0.939 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0613 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 165:sc= 1.98 (180deg=1.61) USER MOD Single : A 40 ASN : amide:sc= 2.56 K(o=2.6,f=-4.4!) USER MOD Single : A 52 THR OG1 : rot -33:sc= 0.652 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0615 USER MOD Single : A 59 LYS NZ :NH3+ 167:sc= 1.24 (180deg=0.705) USER MOD Single : A 68 SER OG : rot 72:sc= 1.2 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -29:sc= 1.06 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 74 THR OG1 : rot -40:sc= 1.18 USER MOD Single : A 79 TYR OH : rot -177:sc= 0.682 USER MOD Single : A 81 TYR OH : rot 152:sc= 0.292 USER MOD Single : A 91 MET CE :methyl 166:sc= 0 (180deg=-0.135) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.162 -1.435 -15.439 1.00 0.00 N ATOM 2 CA ALA A 1 2.410 -2.881 -15.537 1.00 0.00 C ATOM 3 C ALA A 1 3.020 -3.435 -14.258 1.00 0.00 C ATOM 4 O ALA A 1 3.940 -2.824 -13.729 1.00 0.00 O ATOM 5 CB ALA A 1 3.271 -3.207 -16.763 1.00 0.00 C ATOM 0 H1 ALA A 1 1.148 -1.267 -15.279 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.708 -1.042 -14.646 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.454 -0.972 -16.323 1.00 0.00 H new ATOM 0 HA ALA A 1 1.447 -3.374 -15.668 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.440 -4.283 -16.813 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.757 -2.878 -17.666 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.229 -2.692 -16.682 1.00 0.00 H new ATOM 13 N ASN A 2 2.412 -4.520 -13.755 1.00 0.00 N ATOM 14 CA ASN A 2 2.737 -5.356 -12.579 1.00 0.00 C ATOM 15 C ASN A 2 3.776 -4.739 -11.604 1.00 0.00 C ATOM 16 O ASN A 2 4.988 -4.869 -11.800 1.00 0.00 O ATOM 17 CB ASN A 2 3.220 -6.700 -13.190 1.00 0.00 C ATOM 18 CG ASN A 2 3.582 -7.837 -12.236 1.00 0.00 C ATOM 19 OD1 ASN A 2 4.727 -8.015 -11.837 1.00 0.00 O ATOM 20 ND2 ASN A 2 2.637 -8.701 -11.924 1.00 0.00 N ATOM 0 H ASN A 2 1.577 -4.880 -14.217 1.00 0.00 H new ATOM 0 HA ASN A 2 1.864 -5.468 -11.936 1.00 0.00 H new ATOM 0 HB2 ASN A 2 2.439 -7.062 -13.858 1.00 0.00 H new ATOM 0 HB3 ASN A 2 4.095 -6.491 -13.806 1.00 0.00 H new ATOM 0 HD21 ASN A 2 2.859 -9.515 -11.352 1.00 0.00 H new ATOM 0 HD22 ASN A 2 1.683 -8.555 -12.255 1.00 0.00 H new ATOM 27 N ALA A 3 3.314 -4.087 -10.529 1.00 0.00 N ATOM 28 CA ALA A 3 4.146 -3.417 -9.547 1.00 0.00 C ATOM 29 C ALA A 3 4.210 -4.187 -8.220 1.00 0.00 C ATOM 30 O ALA A 3 3.463 -5.124 -7.947 1.00 0.00 O ATOM 31 CB ALA A 3 3.616 -1.985 -9.385 1.00 0.00 C ATOM 0 H ALA A 3 2.318 -4.015 -10.321 1.00 0.00 H new ATOM 0 HA ALA A 3 5.179 -3.381 -9.892 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.222 -1.454 -8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.669 -1.467 -10.343 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.581 -2.016 -9.046 1.00 0.00 H new ATOM 37 N THR A 4 5.149 -3.774 -7.381 1.00 0.00 N ATOM 38 CA THR A 4 5.505 -4.301 -6.070 1.00 0.00 C ATOM 39 C THR A 4 5.935 -3.075 -5.287 1.00 0.00 C ATOM 40 O THR A 4 6.359 -2.081 -5.880 1.00 0.00 O ATOM 41 CB THR A 4 6.707 -5.265 -6.162 1.00 0.00 C ATOM 42 OG1 THR A 4 6.527 -6.252 -7.156 1.00 0.00 O ATOM 43 CG2 THR A 4 6.948 -6.028 -4.856 1.00 0.00 C ATOM 0 H THR A 4 5.741 -2.980 -7.626 1.00 0.00 H new ATOM 0 HA THR A 4 4.678 -4.852 -5.622 1.00 0.00 H new ATOM 0 HB THR A 4 7.552 -4.619 -6.397 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.312 -6.839 -7.180 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.804 -6.692 -4.975 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.147 -5.319 -4.052 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.064 -6.617 -4.610 1.00 0.00 H new ATOM 51 N VAL A 5 5.854 -3.115 -3.962 1.00 0.00 N ATOM 52 CA VAL A 5 6.290 -2.003 -3.127 1.00 0.00 C ATOM 53 C VAL A 5 6.714 -2.524 -1.767 1.00 0.00 C ATOM 54 O VAL A 5 6.272 -3.582 -1.313 1.00 0.00 O ATOM 55 CB VAL A 5 5.221 -0.871 -3.061 1.00 0.00 C ATOM 56 CG1 VAL A 5 3.877 -1.119 -3.760 1.00 0.00 C ATOM 57 CG2 VAL A 5 5.011 -0.214 -1.697 1.00 0.00 C ATOM 0 H VAL A 5 5.488 -3.911 -3.441 1.00 0.00 H new ATOM 0 HA VAL A 5 7.163 -1.533 -3.580 1.00 0.00 H new ATOM 0 HB VAL A 5 5.739 -0.145 -3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.234 -0.248 -3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.046 -1.292 -4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.395 -1.994 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.244 0.556 -1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.694 -0.967 -0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.945 0.238 -1.363 1.00 0.00 H new ATOM 67 N LYS A 6 7.608 -1.775 -1.125 1.00 0.00 N ATOM 68 CA LYS A 6 8.151 -2.163 0.177 1.00 0.00 C ATOM 69 C LYS A 6 7.660 -1.174 1.226 1.00 0.00 C ATOM 70 O LYS A 6 7.882 0.018 1.086 1.00 0.00 O ATOM 71 CB LYS A 6 9.689 -2.188 0.137 1.00 0.00 C ATOM 72 CG LYS A 6 10.297 -3.019 -1.006 1.00 0.00 C ATOM 73 CD LYS A 6 11.751 -2.626 -1.291 1.00 0.00 C ATOM 74 CE LYS A 6 12.694 -2.800 -0.096 1.00 0.00 C ATOM 75 NZ LYS A 6 13.795 -1.826 -0.191 1.00 0.00 N ATOM 0 H LYS A 6 7.973 -0.893 -1.486 1.00 0.00 H new ATOM 0 HA LYS A 6 7.809 -3.166 0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.052 -1.164 0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.056 -2.580 1.086 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.251 -4.077 -0.749 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.701 -2.884 -1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.122 -3.226 -2.122 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.778 -1.585 -1.612 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.147 -2.656 0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.093 -3.814 -0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.605 -2.162 0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.080 -1.721 -1.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.478 -0.907 0.177 1.00 0.00 H new ATOM 89 N MET A 7 6.947 -1.670 2.230 1.00 0.00 N ATOM 90 CA MET A 7 6.397 -0.967 3.392 1.00 0.00 C ATOM 91 C MET A 7 7.558 -0.812 4.385 1.00 0.00 C ATOM 92 O MET A 7 8.097 -1.813 4.863 1.00 0.00 O ATOM 93 CB MET A 7 5.230 -1.785 3.964 1.00 0.00 C ATOM 94 CG MET A 7 4.059 -2.008 3.007 1.00 0.00 C ATOM 95 SD MET A 7 2.670 -2.857 3.809 1.00 0.00 S ATOM 96 CE MET A 7 3.268 -4.562 3.848 1.00 0.00 C ATOM 0 H MET A 7 6.716 -2.663 2.258 1.00 0.00 H new ATOM 0 HA MET A 7 5.996 0.017 3.148 1.00 0.00 H new ATOM 0 HB2 MET A 7 5.609 -2.757 4.281 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.858 -1.282 4.856 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.720 -1.047 2.620 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.397 -2.595 2.153 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.525 -5.197 4.331 1.00 0.00 H new ATOM 0 HE2 MET A 7 3.438 -4.911 2.830 1.00 0.00 H new ATOM 0 HE3 MET A 7 4.202 -4.607 4.407 1.00 0.00 H new ATOM 106 N GLY A 8 7.912 0.429 4.735 1.00 0.00 N ATOM 107 CA GLY A 8 9.038 0.729 5.631 1.00 0.00 C ATOM 108 C GLY A 8 10.271 0.869 4.740 1.00 0.00 C ATOM 109 O GLY A 8 10.854 -0.139 4.322 1.00 0.00 O ATOM 0 H GLY A 8 7.423 1.260 4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.856 1.647 6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.175 -0.067 6.362 1.00 0.00 H new ATOM 113 N SER A 9 10.626 2.112 4.406 1.00 0.00 N ATOM 114 CA SER A 9 11.751 2.395 3.521 1.00 0.00 C ATOM 115 C SER A 9 13.081 1.854 4.056 1.00 0.00 C ATOM 116 O SER A 9 13.251 1.694 5.268 1.00 0.00 O ATOM 117 CB SER A 9 11.811 3.896 3.253 1.00 0.00 C ATOM 118 OG SER A 9 12.796 4.206 2.294 1.00 0.00 O ATOM 0 H SER A 9 10.142 2.945 4.741 1.00 0.00 H new ATOM 0 HA SER A 9 11.587 1.869 2.581 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.839 4.244 2.905 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.025 4.425 4.182 1.00 0.00 H new ATOM 0 HG SER A 9 12.696 3.615 1.519 1.00 0.00 H new ATOM 124 N ASP A 10 14.061 1.601 3.181 1.00 0.00 N ATOM 125 CA ASP A 10 15.368 1.074 3.600 1.00 0.00 C ATOM 126 C ASP A 10 16.102 1.961 4.636 1.00 0.00 C ATOM 127 O ASP A 10 16.979 1.463 5.339 1.00 0.00 O ATOM 128 CB ASP A 10 16.232 0.756 2.365 1.00 0.00 C ATOM 129 CG ASP A 10 15.791 -0.523 1.626 1.00 0.00 C ATOM 130 OD1 ASP A 10 15.037 -1.360 2.191 1.00 0.00 O ATOM 131 OD2 ASP A 10 16.188 -0.696 0.452 1.00 0.00 O ATOM 0 H ASP A 10 13.975 1.753 2.176 1.00 0.00 H new ATOM 0 HA ASP A 10 15.181 0.144 4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 10 16.191 1.599 1.675 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.271 0.648 2.675 1.00 0.00 H new ATOM 136 N SER A 11 15.718 3.242 4.789 1.00 0.00 N ATOM 137 CA SER A 11 16.278 4.197 5.769 1.00 0.00 C ATOM 138 C SER A 11 15.603 4.080 7.150 1.00 0.00 C ATOM 139 O SER A 11 15.975 4.802 8.081 1.00 0.00 O ATOM 140 CB SER A 11 16.113 5.636 5.244 1.00 0.00 C ATOM 141 OG SER A 11 16.541 6.585 6.206 1.00 0.00 O ATOM 0 H SER A 11 14.984 3.657 4.215 1.00 0.00 H new ATOM 0 HA SER A 11 17.334 3.955 5.892 1.00 0.00 H new ATOM 0 HB2 SER A 11 16.689 5.759 4.327 1.00 0.00 H new ATOM 0 HB3 SER A 11 15.068 5.816 4.991 1.00 0.00 H new ATOM 0 HG SER A 11 16.542 6.172 7.095 1.00 0.00 H new ATOM 147 N GLY A 12 14.581 3.221 7.269 1.00 0.00 N ATOM 148 CA GLY A 12 13.808 3.028 8.493 1.00 0.00 C ATOM 149 C GLY A 12 12.666 4.036 8.643 1.00 0.00 C ATOM 150 O GLY A 12 12.114 4.184 9.729 1.00 0.00 O ATOM 0 H GLY A 12 14.266 2.631 6.499 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.398 2.018 8.502 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.473 3.110 9.353 1.00 0.00 H new ATOM 154 N ALA A 13 12.326 4.736 7.558 1.00 0.00 N ATOM 155 CA ALA A 13 11.236 5.694 7.536 1.00 0.00 C ATOM 156 C ALA A 13 9.918 4.974 7.228 1.00 0.00 C ATOM 157 O ALA A 13 9.854 4.141 6.316 1.00 0.00 O ATOM 158 CB ALA A 13 11.540 6.769 6.486 1.00 0.00 C ATOM 0 H ALA A 13 12.810 4.647 6.664 1.00 0.00 H new ATOM 0 HA ALA A 13 11.136 6.173 8.510 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.727 7.494 6.462 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.470 7.276 6.743 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.640 6.302 5.506 1.00 0.00 H new ATOM 164 N LEU A 14 8.866 5.336 7.972 1.00 0.00 N ATOM 165 CA LEU A 14 7.489 4.840 7.849 1.00 0.00 C ATOM 166 C LEU A 14 6.834 5.307 6.544 1.00 0.00 C ATOM 167 O LEU A 14 5.868 6.062 6.529 1.00 0.00 O ATOM 168 CB LEU A 14 6.647 5.240 9.082 1.00 0.00 C ATOM 169 CG LEU A 14 7.071 4.679 10.455 1.00 0.00 C ATOM 170 CD1 LEU A 14 7.565 3.236 10.370 1.00 0.00 C ATOM 171 CD2 LEU A 14 8.125 5.553 11.142 1.00 0.00 C ATOM 0 H LEU A 14 8.958 6.023 8.720 1.00 0.00 H new ATOM 0 HA LEU A 14 7.531 3.751 7.813 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.648 6.328 9.150 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.617 4.933 8.898 1.00 0.00 H new ATOM 0 HG LEU A 14 6.168 4.692 11.065 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.851 2.890 11.363 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.769 2.601 9.980 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.428 3.185 9.706 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.390 5.115 12.104 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.014 5.613 10.514 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.723 6.554 11.297 1.00 0.00 H new ATOM 183 N VAL A 15 7.365 4.840 5.418 1.00 0.00 N ATOM 184 CA VAL A 15 6.847 5.137 4.089 1.00 0.00 C ATOM 185 C VAL A 15 7.054 3.914 3.203 1.00 0.00 C ATOM 186 O VAL A 15 7.978 3.120 3.404 1.00 0.00 O ATOM 187 CB VAL A 15 7.512 6.420 3.530 1.00 0.00 C ATOM 188 CG1 VAL A 15 9.018 6.271 3.283 1.00 0.00 C ATOM 189 CG2 VAL A 15 6.838 6.924 2.243 1.00 0.00 C ATOM 0 H VAL A 15 8.184 4.232 5.405 1.00 0.00 H new ATOM 0 HA VAL A 15 5.777 5.344 4.124 1.00 0.00 H new ATOM 0 HB VAL A 15 7.370 7.159 4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.417 7.207 2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.518 6.027 4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.191 5.473 2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.344 7.825 1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.900 6.154 1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.791 7.151 2.445 1.00 0.00 H new ATOM 199 N PHE A 16 6.146 3.724 2.254 1.00 0.00 N ATOM 200 CA PHE A 16 6.187 2.659 1.272 1.00 0.00 C ATOM 201 C PHE A 16 6.884 3.128 -0.002 1.00 0.00 C ATOM 202 O PHE A 16 6.707 4.253 -0.440 1.00 0.00 O ATOM 203 CB PHE A 16 4.774 2.049 1.147 1.00 0.00 C ATOM 204 CG PHE A 16 3.571 2.917 1.425 1.00 0.00 C ATOM 205 CD1 PHE A 16 3.466 4.217 0.922 1.00 0.00 C ATOM 206 CD2 PHE A 16 2.604 2.439 2.328 1.00 0.00 C ATOM 207 CE1 PHE A 16 2.374 5.018 1.274 1.00 0.00 C ATOM 208 CE2 PHE A 16 1.526 3.245 2.712 1.00 0.00 C ATOM 209 CZ PHE A 16 1.406 4.528 2.169 1.00 0.00 C ATOM 0 H PHE A 16 5.334 4.331 2.147 1.00 0.00 H new ATOM 0 HA PHE A 16 6.815 1.823 1.580 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.672 1.662 0.133 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.725 1.194 1.821 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.228 4.603 0.261 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.694 1.440 2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.275 6.010 0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.796 2.880 3.419 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.563 5.147 2.439 1.00 0.00 H new ATOM 219 N GLU A 17 7.763 2.276 -0.540 1.00 0.00 N ATOM 220 CA GLU A 17 8.583 2.552 -1.718 1.00 0.00 C ATOM 221 C GLU A 17 8.278 1.593 -2.874 1.00 0.00 C ATOM 222 O GLU A 17 8.540 0.394 -2.747 1.00 0.00 O ATOM 223 CB GLU A 17 10.082 2.595 -1.318 1.00 0.00 C ATOM 224 CG GLU A 17 10.686 1.328 -0.689 1.00 0.00 C ATOM 225 CD GLU A 17 12.026 1.513 0.051 1.00 0.00 C ATOM 226 OE1 GLU A 17 12.430 2.670 0.326 1.00 0.00 O ATOM 227 OE2 GLU A 17 12.594 0.472 0.468 1.00 0.00 O ATOM 0 H GLU A 17 7.926 1.346 -0.153 1.00 0.00 H new ATOM 0 HA GLU A 17 8.325 3.538 -2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.661 2.837 -2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.219 3.417 -0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.961 0.913 0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.828 0.588 -1.476 1.00 0.00 H new ATOM 234 N PRO A 18 7.669 2.084 -3.973 1.00 0.00 N ATOM 235 CA PRO A 18 7.213 3.464 -4.178 1.00 0.00 C ATOM 236 C PRO A 18 5.887 3.835 -3.484 1.00 0.00 C ATOM 237 O PRO A 18 4.931 3.056 -3.469 1.00 0.00 O ATOM 238 CB PRO A 18 7.104 3.628 -5.684 1.00 0.00 C ATOM 239 CG PRO A 18 6.767 2.222 -6.178 1.00 0.00 C ATOM 240 CD PRO A 18 7.573 1.342 -5.226 1.00 0.00 C ATOM 0 HA PRO A 18 7.928 4.145 -3.716 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.328 4.344 -5.954 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.037 3.991 -6.116 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.699 2.015 -6.117 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.062 2.074 -7.217 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.082 0.381 -5.073 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.563 1.133 -5.632 1.00 0.00 H new ATOM 248 N SER A 19 5.813 5.079 -2.983 1.00 0.00 N ATOM 249 CA SER A 19 4.697 5.687 -2.239 1.00 0.00 C ATOM 250 C SER A 19 3.653 6.345 -3.176 1.00 0.00 C ATOM 251 O SER A 19 2.641 6.920 -2.759 1.00 0.00 O ATOM 252 CB SER A 19 5.241 6.769 -1.277 1.00 0.00 C ATOM 253 OG SER A 19 6.410 7.407 -1.767 1.00 0.00 O ATOM 0 H SER A 19 6.587 5.733 -3.095 1.00 0.00 H new ATOM 0 HA SER A 19 4.206 4.885 -1.689 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.468 7.519 -1.107 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.460 6.313 -0.312 1.00 0.00 H new ATOM 0 HG SER A 19 6.709 8.081 -1.122 1.00 0.00 H new ATOM 259 N THR A 20 3.957 6.333 -4.475 1.00 0.00 N ATOM 260 CA THR A 20 3.187 6.825 -5.623 1.00 0.00 C ATOM 261 C THR A 20 3.591 5.991 -6.840 1.00 0.00 C ATOM 262 O THR A 20 4.786 5.837 -7.091 1.00 0.00 O ATOM 263 CB THR A 20 3.462 8.310 -5.920 1.00 0.00 C ATOM 264 OG1 THR A 20 3.517 9.076 -4.742 1.00 0.00 O ATOM 265 CG2 THR A 20 2.377 8.933 -6.802 1.00 0.00 C ATOM 0 H THR A 20 4.844 5.936 -4.783 1.00 0.00 H new ATOM 0 HA THR A 20 2.125 6.732 -5.397 1.00 0.00 H new ATOM 0 HB THR A 20 4.423 8.325 -6.435 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.695 10.013 -4.969 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.614 9.981 -6.985 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.330 8.401 -7.752 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.413 8.861 -6.298 1.00 0.00 H new ATOM 273 N VAL A 21 2.631 5.431 -7.592 1.00 0.00 N ATOM 274 CA VAL A 21 2.964 4.578 -8.750 1.00 0.00 C ATOM 275 C VAL A 21 1.946 4.647 -9.882 1.00 0.00 C ATOM 276 O VAL A 21 0.830 5.123 -9.677 1.00 0.00 O ATOM 277 CB VAL A 21 3.244 3.135 -8.261 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.966 2.333 -7.996 1.00 0.00 C ATOM 279 CG2 VAL A 21 4.163 2.322 -9.186 1.00 0.00 C ATOM 0 H VAL A 21 1.632 5.549 -7.425 1.00 0.00 H new ATOM 0 HA VAL A 21 3.873 4.971 -9.206 1.00 0.00 H new ATOM 0 HB VAL A 21 3.771 3.288 -7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.229 1.331 -7.656 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.375 2.833 -7.229 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.383 2.263 -8.914 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.307 1.325 -8.770 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.707 2.241 -10.173 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.128 2.822 -9.272 1.00 0.00 H new ATOM 289 N THR A 22 2.340 4.155 -11.066 1.00 0.00 N ATOM 290 CA THR A 22 1.500 4.190 -12.261 1.00 0.00 C ATOM 291 C THR A 22 1.536 2.853 -13.021 1.00 0.00 C ATOM 292 O THR A 22 2.581 2.390 -13.492 1.00 0.00 O ATOM 293 CB THR A 22 1.882 5.443 -13.104 1.00 0.00 C ATOM 294 OG1 THR A 22 0.716 6.150 -13.454 1.00 0.00 O ATOM 295 CG2 THR A 22 2.650 5.189 -14.405 1.00 0.00 C ATOM 0 H THR A 22 3.251 3.722 -11.217 1.00 0.00 H new ATOM 0 HA THR A 22 0.450 4.300 -11.990 1.00 0.00 H new ATOM 0 HB THR A 22 2.556 5.994 -12.448 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.958 6.939 -13.983 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.855 6.139 -14.898 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.591 4.686 -14.180 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.051 4.561 -15.064 1.00 0.00 H new ATOM 303 N ILE A 23 0.386 2.180 -13.026 1.00 0.00 N ATOM 304 CA ILE A 23 0.136 0.915 -13.723 1.00 0.00 C ATOM 305 C ILE A 23 -1.103 1.151 -14.599 1.00 0.00 C ATOM 306 O ILE A 23 -1.660 2.248 -14.530 1.00 0.00 O ATOM 307 CB ILE A 23 -0.092 -0.265 -12.747 1.00 0.00 C ATOM 308 CG1 ILE A 23 -1.209 0.053 -11.730 1.00 0.00 C ATOM 309 CG2 ILE A 23 1.201 -0.686 -12.027 1.00 0.00 C ATOM 310 CD1 ILE A 23 -1.998 -1.193 -11.360 1.00 0.00 C ATOM 0 H ILE A 23 -0.435 2.515 -12.522 1.00 0.00 H new ATOM 0 HA ILE A 23 1.005 0.633 -14.317 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.414 -1.112 -13.352 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.771 0.488 -10.831 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.883 0.800 -12.150 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.989 -1.517 -11.354 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.943 -0.996 -12.763 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.589 0.156 -11.453 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.776 -0.931 -10.642 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.457 -1.612 -12.255 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.328 -1.930 -10.917 1.00 0.00 H new ATOM 322 N LYS A 24 -1.555 0.201 -15.435 1.00 0.00 N ATOM 323 CA LYS A 24 -2.770 0.434 -16.216 1.00 0.00 C ATOM 324 C LYS A 24 -3.801 -0.662 -16.021 1.00 0.00 C ATOM 325 O LYS A 24 -3.499 -1.847 -15.876 1.00 0.00 O ATOM 326 CB LYS A 24 -2.412 0.741 -17.689 1.00 0.00 C ATOM 327 CG LYS A 24 -2.169 -0.365 -18.718 1.00 0.00 C ATOM 328 CD LYS A 24 -3.397 -0.705 -19.585 1.00 0.00 C ATOM 329 CE LYS A 24 -4.489 -1.584 -18.975 1.00 0.00 C ATOM 330 NZ LYS A 24 -4.003 -2.901 -18.508 1.00 0.00 N ATOM 0 H LYS A 24 -1.111 -0.705 -15.582 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.269 1.326 -15.837 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.215 1.364 -18.083 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.512 1.355 -17.671 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.350 -0.064 -19.371 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.846 -1.266 -18.196 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.858 0.234 -19.893 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.040 -1.197 -20.490 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.941 -1.056 -18.136 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.274 -1.738 -19.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.717 -3.335 -17.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.834 -3.519 -19.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.116 -2.776 -17.980 1.00 0.00 H new ATOM 344 N ALA A 25 -5.050 -0.191 -15.972 1.00 0.00 N ATOM 345 CA ALA A 25 -6.314 -0.874 -15.755 1.00 0.00 C ATOM 346 C ALA A 25 -6.263 -2.422 -15.821 1.00 0.00 C ATOM 347 O ALA A 25 -6.233 -3.015 -16.906 1.00 0.00 O ATOM 348 CB ALA A 25 -7.362 -0.271 -16.701 1.00 0.00 C ATOM 0 H ALA A 25 -5.210 0.808 -16.101 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.597 -0.700 -14.717 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.318 -0.772 -16.552 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.473 0.793 -16.490 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.040 -0.405 -17.734 1.00 0.00 H new ATOM 354 N GLY A 26 -6.219 -3.072 -14.654 1.00 0.00 N ATOM 355 CA GLY A 26 -6.165 -4.524 -14.511 1.00 0.00 C ATOM 356 C GLY A 26 -4.826 -5.012 -13.968 1.00 0.00 C ATOM 357 O GLY A 26 -4.707 -6.187 -13.615 1.00 0.00 O ATOM 0 H GLY A 26 -6.220 -2.585 -13.758 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.963 -4.849 -13.844 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.350 -4.988 -15.480 1.00 0.00 H new ATOM 361 N GLU A 27 -3.804 -4.153 -13.940 1.00 0.00 N ATOM 362 CA GLU A 27 -2.512 -4.532 -13.388 1.00 0.00 C ATOM 363 C GLU A 27 -2.576 -4.505 -11.853 1.00 0.00 C ATOM 364 O GLU A 27 -3.558 -4.066 -11.233 1.00 0.00 O ATOM 365 CB GLU A 27 -1.418 -3.659 -14.021 1.00 0.00 C ATOM 366 CG GLU A 27 -1.030 -4.243 -15.398 1.00 0.00 C ATOM 367 CD GLU A 27 -0.989 -3.204 -16.522 1.00 0.00 C ATOM 368 OE1 GLU A 27 -0.297 -2.167 -16.336 1.00 0.00 O ATOM 369 OE2 GLU A 27 -1.615 -3.474 -17.578 1.00 0.00 O ATOM 0 H GLU A 27 -3.851 -3.197 -14.292 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.248 -5.559 -13.640 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.774 -2.635 -14.135 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.545 -3.622 -13.370 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.052 -4.717 -15.318 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.742 -5.024 -15.664 1.00 0.00 H new ATOM 376 N GLU A 28 -1.495 -4.973 -11.227 1.00 0.00 N ATOM 377 CA GLU A 28 -1.420 -5.082 -9.772 1.00 0.00 C ATOM 378 C GLU A 28 -0.237 -4.370 -9.139 1.00 0.00 C ATOM 379 O GLU A 28 0.639 -3.819 -9.807 1.00 0.00 O ATOM 380 CB GLU A 28 -1.410 -6.592 -9.453 1.00 0.00 C ATOM 381 CG GLU A 28 -0.103 -7.295 -9.124 1.00 0.00 C ATOM 382 CD GLU A 28 0.881 -7.049 -10.237 1.00 0.00 C ATOM 383 OE1 GLU A 28 0.475 -7.135 -11.426 1.00 0.00 O ATOM 384 OE2 GLU A 28 2.070 -6.833 -9.911 1.00 0.00 O ATOM 0 H GLU A 28 -0.653 -5.285 -11.711 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.279 -4.573 -9.336 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.083 -6.749 -8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.847 -7.106 -10.309 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.296 -6.924 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.272 -8.365 -9.001 1.00 0.00 H new ATOM 391 N VAL A 29 -0.262 -4.427 -7.814 1.00 0.00 N ATOM 392 CA VAL A 29 0.683 -3.922 -6.848 1.00 0.00 C ATOM 393 C VAL A 29 0.760 -4.967 -5.718 1.00 0.00 C ATOM 394 O VAL A 29 -0.187 -5.082 -4.924 1.00 0.00 O ATOM 395 CB VAL A 29 0.160 -2.611 -6.290 1.00 0.00 C ATOM 396 CG1 VAL A 29 1.130 -2.071 -5.242 1.00 0.00 C ATOM 397 CG2 VAL A 29 0.036 -1.484 -7.326 1.00 0.00 C ATOM 0 H VAL A 29 -1.042 -4.885 -7.343 1.00 0.00 H new ATOM 0 HA VAL A 29 1.663 -3.752 -7.293 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.827 -2.857 -5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.750 -1.130 -4.845 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.229 -2.793 -4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.105 -1.904 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.345 -0.585 -6.842 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.015 -1.277 -7.757 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.651 -1.789 -8.115 1.00 0.00 H new ATOM 407 N LYS A 30 1.876 -5.703 -5.613 1.00 0.00 N ATOM 408 CA LYS A 30 2.093 -6.774 -4.624 1.00 0.00 C ATOM 409 C LYS A 30 3.012 -6.460 -3.444 1.00 0.00 C ATOM 410 O LYS A 30 3.948 -7.195 -3.137 1.00 0.00 O ATOM 411 CB LYS A 30 2.469 -8.046 -5.403 1.00 0.00 C ATOM 412 CG LYS A 30 3.788 -8.034 -6.190 1.00 0.00 C ATOM 413 CD LYS A 30 3.653 -8.938 -7.431 1.00 0.00 C ATOM 414 CE LYS A 30 4.730 -8.694 -8.487 1.00 0.00 C ATOM 415 NZ LYS A 30 4.581 -7.362 -9.112 1.00 0.00 N ATOM 0 H LYS A 30 2.676 -5.567 -6.230 1.00 0.00 H new ATOM 0 HA LYS A 30 1.158 -6.915 -4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.507 -8.874 -4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.662 -8.262 -6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.034 -7.016 -6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.604 -8.385 -5.558 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.694 -9.981 -7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.673 -8.779 -7.881 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.716 -8.774 -8.029 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.671 -9.466 -9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.867 -7.413 -10.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.588 -7.059 -9.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.184 -6.676 -8.614 1.00 0.00 H new ATOM 429 N TRP A 31 2.716 -5.356 -2.758 1.00 0.00 N ATOM 430 CA TRP A 31 3.453 -4.927 -1.571 1.00 0.00 C ATOM 431 C TRP A 31 3.734 -5.911 -0.421 1.00 0.00 C ATOM 432 O TRP A 31 2.947 -6.786 -0.063 1.00 0.00 O ATOM 433 CB TRP A 31 2.868 -3.590 -1.084 1.00 0.00 C ATOM 434 CG TRP A 31 1.435 -3.222 -1.333 1.00 0.00 C ATOM 435 CD1 TRP A 31 0.409 -3.983 -1.784 1.00 0.00 C ATOM 436 CD2 TRP A 31 0.993 -1.851 -1.515 1.00 0.00 C ATOM 437 NE1 TRP A 31 -0.550 -3.167 -2.351 1.00 0.00 N ATOM 438 CE2 TRP A 31 -0.225 -1.842 -2.239 1.00 0.00 C ATOM 439 CE3 TRP A 31 1.594 -0.612 -1.248 1.00 0.00 C ATOM 440 CZ2 TRP A 31 -0.794 -0.669 -2.743 1.00 0.00 C ATOM 441 CZ3 TRP A 31 1.047 0.571 -1.758 1.00 0.00 C ATOM 442 CH2 TRP A 31 -0.144 0.555 -2.507 1.00 0.00 C ATOM 0 H TRP A 31 1.952 -4.730 -3.013 1.00 0.00 H new ATOM 0 HA TRP A 31 4.475 -4.834 -1.937 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.022 -3.552 -0.006 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.478 -2.800 -1.521 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.350 -5.059 -1.711 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -1.399 -3.511 -2.800 1.00 0.00 H new ATOM 0 HE3 TRP A 31 2.488 -0.571 -0.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.716 -0.702 -3.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 1.547 1.511 -1.574 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -0.555 1.474 -2.897 1.00 0.00 H new ATOM 453 N VAL A 32 4.943 -5.715 0.119 1.00 0.00 N ATOM 454 CA VAL A 32 5.649 -6.439 1.175 1.00 0.00 C ATOM 455 C VAL A 32 6.128 -5.521 2.299 1.00 0.00 C ATOM 456 O VAL A 32 6.398 -4.345 2.098 1.00 0.00 O ATOM 457 CB VAL A 32 6.854 -7.146 0.514 1.00 0.00 C ATOM 458 CG1 VAL A 32 7.657 -8.047 1.472 1.00 0.00 C ATOM 459 CG2 VAL A 32 6.483 -8.008 -0.711 1.00 0.00 C ATOM 0 H VAL A 32 5.520 -4.945 -0.221 1.00 0.00 H new ATOM 0 HA VAL A 32 4.967 -7.152 1.638 1.00 0.00 H new ATOM 0 HB VAL A 32 7.468 -6.302 0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.485 -8.506 0.932 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.048 -7.447 2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.007 -8.826 1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.383 -8.470 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.781 -8.785 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.023 -7.379 -1.473 1.00 0.00 H new ATOM 469 N ASN A 33 6.246 -6.111 3.483 1.00 0.00 N ATOM 470 CA ASN A 33 6.705 -5.627 4.790 1.00 0.00 C ATOM 471 C ASN A 33 8.247 -5.616 4.833 1.00 0.00 C ATOM 472 O ASN A 33 8.869 -6.664 4.649 1.00 0.00 O ATOM 473 CB ASN A 33 6.060 -6.619 5.752 1.00 0.00 C ATOM 474 CG ASN A 33 6.446 -6.552 7.197 1.00 0.00 C ATOM 475 OD1 ASN A 33 7.588 -6.372 7.562 1.00 0.00 O ATOM 476 ND2 ASN A 33 5.505 -6.766 8.081 1.00 0.00 N ATOM 0 H ASN A 33 5.981 -7.093 3.563 1.00 0.00 H new ATOM 0 HA ASN A 33 6.427 -4.602 5.034 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.979 -6.490 5.689 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.283 -7.624 5.394 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.733 -6.781 9.075 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.544 -6.918 7.776 1.00 0.00 H new ATOM 483 N ASN A 34 8.885 -4.469 5.096 1.00 0.00 N ATOM 484 CA ASN A 34 10.352 -4.351 5.123 1.00 0.00 C ATOM 485 C ASN A 34 10.893 -3.534 6.302 1.00 0.00 C ATOM 486 O ASN A 34 12.015 -3.838 6.728 1.00 0.00 O ATOM 487 CB ASN A 34 10.847 -3.810 3.764 1.00 0.00 C ATOM 488 CG ASN A 34 12.352 -3.516 3.671 1.00 0.00 C ATOM 489 OD1 ASN A 34 13.235 -4.322 3.937 1.00 0.00 O ATOM 490 ND2 ASN A 34 12.713 -2.297 3.304 1.00 0.00 N ATOM 0 H ASN A 34 8.400 -3.594 5.297 1.00 0.00 H new ATOM 0 HA ASN A 34 10.754 -5.351 5.284 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.588 -4.533 2.990 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.302 -2.893 3.539 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.702 -2.053 3.249 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.002 -1.602 3.076 1.00 0.00 H new ATOM 497 N LYS A 35 10.177 -2.531 6.851 1.00 0.00 N ATOM 498 CA LYS A 35 10.746 -1.809 7.995 1.00 0.00 C ATOM 499 C LYS A 35 9.798 -1.122 8.971 1.00 0.00 C ATOM 500 O LYS A 35 8.652 -0.773 8.694 1.00 0.00 O ATOM 501 CB LYS A 35 11.851 -0.834 7.506 1.00 0.00 C ATOM 502 CG LYS A 35 13.190 -1.099 8.228 1.00 0.00 C ATOM 503 CD LYS A 35 14.445 -0.698 7.433 1.00 0.00 C ATOM 504 CE LYS A 35 14.545 -1.343 6.042 1.00 0.00 C ATOM 505 NZ LYS A 35 14.437 -2.819 6.068 1.00 0.00 N ATOM 0 H LYS A 35 9.257 -2.219 6.540 1.00 0.00 H new ATOM 0 HA LYS A 35 11.152 -2.609 8.614 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.987 -0.945 6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.537 0.194 7.683 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.189 -0.558 9.174 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.253 -2.160 8.467 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.458 0.386 7.320 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.329 -0.969 8.011 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.757 -0.940 5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.496 -1.064 5.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.495 -3.188 5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.213 -3.214 6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.526 -3.093 6.489 1.00 0.00 H new ATOM 519 N LEU A 36 10.405 -0.956 10.151 1.00 0.00 N ATOM 520 CA LEU A 36 9.926 -0.399 11.413 1.00 0.00 C ATOM 521 C LEU A 36 8.467 -0.782 11.710 1.00 0.00 C ATOM 522 O LEU A 36 7.607 0.028 12.037 1.00 0.00 O ATOM 523 CB LEU A 36 10.259 1.104 11.406 1.00 0.00 C ATOM 524 CG LEU A 36 10.110 1.834 12.758 1.00 0.00 C ATOM 525 CD1 LEU A 36 10.896 1.169 13.892 1.00 0.00 C ATOM 526 CD2 LEU A 36 10.654 3.255 12.616 1.00 0.00 C ATOM 0 H LEU A 36 11.376 -1.251 10.251 1.00 0.00 H new ATOM 0 HA LEU A 36 10.439 -0.837 12.269 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.285 1.227 11.060 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.615 1.596 10.677 1.00 0.00 H new ATOM 0 HG LEU A 36 9.050 1.809 13.009 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.749 1.731 14.815 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.543 0.147 14.029 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.956 1.155 13.640 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.553 3.780 13.566 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.706 3.215 12.333 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.091 3.785 11.848 1.00 0.00 H new ATOM 538 N SER A 37 8.274 -2.099 11.607 1.00 0.00 N ATOM 539 CA SER A 37 7.075 -2.895 11.842 1.00 0.00 C ATOM 540 C SER A 37 6.399 -2.563 13.184 1.00 0.00 C ATOM 541 O SER A 37 7.079 -2.260 14.169 1.00 0.00 O ATOM 542 CB SER A 37 7.470 -4.380 11.844 1.00 0.00 C ATOM 543 OG SER A 37 8.557 -4.638 10.970 1.00 0.00 O ATOM 0 H SER A 37 9.048 -2.700 11.323 1.00 0.00 H new ATOM 0 HA SER A 37 6.363 -2.667 11.049 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.738 -4.683 12.856 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.613 -4.984 11.546 1.00 0.00 H new ATOM 0 HG SER A 37 9.397 -4.600 11.473 1.00 0.00 H new ATOM 549 N PRO A 38 5.069 -2.743 13.268 1.00 0.00 N ATOM 550 CA PRO A 38 4.178 -3.188 12.194 1.00 0.00 C ATOM 551 C PRO A 38 3.923 -2.101 11.128 1.00 0.00 C ATOM 552 O PRO A 38 4.418 -0.983 11.200 1.00 0.00 O ATOM 553 CB PRO A 38 2.907 -3.612 12.921 1.00 0.00 C ATOM 554 CG PRO A 38 2.834 -2.634 14.090 1.00 0.00 C ATOM 555 CD PRO A 38 4.305 -2.484 14.480 1.00 0.00 C ATOM 0 HA PRO A 38 4.614 -4.002 11.615 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.030 -3.537 12.277 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.964 -4.645 13.263 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.392 -1.682 13.797 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.233 -3.025 14.911 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.507 -1.484 14.863 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.573 -3.187 15.268 1.00 0.00 H new ATOM 563 N HIS A 39 3.174 -2.525 10.111 1.00 0.00 N ATOM 564 CA HIS A 39 2.653 -1.855 8.920 1.00 0.00 C ATOM 565 C HIS A 39 1.299 -2.389 8.454 1.00 0.00 C ATOM 566 O HIS A 39 0.916 -3.506 8.791 1.00 0.00 O ATOM 567 CB HIS A 39 3.734 -1.818 7.795 1.00 0.00 C ATOM 568 CG HIS A 39 4.820 -2.877 7.675 1.00 0.00 C ATOM 569 ND1 HIS A 39 5.152 -3.811 8.620 1.00 0.00 N ATOM 570 CD2 HIS A 39 6.003 -2.617 7.027 1.00 0.00 C ATOM 571 CE1 HIS A 39 6.477 -4.004 8.595 1.00 0.00 C ATOM 572 NE2 HIS A 39 7.035 -3.359 7.575 1.00 0.00 N ATOM 0 H HIS A 39 2.873 -3.500 10.106 1.00 0.00 H new ATOM 0 HA HIS A 39 2.438 -0.823 9.198 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.198 -1.811 6.846 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.242 -0.857 7.881 1.00 0.00 H new ATOM 0 HD1 HIS A 39 4.496 -4.283 9.242 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.113 -1.928 6.203 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.021 -4.604 9.309 1.00 0.00 H new ATOM 580 N ASN A 40 0.549 -1.566 7.709 1.00 0.00 N ATOM 581 CA ASN A 40 -0.792 -1.864 7.210 1.00 0.00 C ATOM 582 C ASN A 40 -1.008 -1.186 5.849 1.00 0.00 C ATOM 583 O ASN A 40 -0.268 -0.263 5.515 1.00 0.00 O ATOM 584 CB ASN A 40 -1.739 -1.343 8.311 1.00 0.00 C ATOM 585 CG ASN A 40 -3.204 -1.216 7.947 1.00 0.00 C ATOM 586 OD1 ASN A 40 -3.676 -0.120 7.670 1.00 0.00 O ATOM 587 ND2 ASN A 40 -3.962 -2.291 7.975 1.00 0.00 N ATOM 0 H ASN A 40 0.876 -0.641 7.429 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.968 -2.924 7.028 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.659 -2.008 9.171 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.382 -0.364 8.631 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.957 -2.219 7.764 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.554 -3.197 8.207 1.00 0.00 H new ATOM 594 N ILE A 41 -2.006 -1.631 5.071 1.00 0.00 N ATOM 595 CA ILE A 41 -2.359 -1.051 3.771 1.00 0.00 C ATOM 596 C ILE A 41 -3.874 -0.936 3.587 1.00 0.00 C ATOM 597 O ILE A 41 -4.515 -1.888 3.166 1.00 0.00 O ATOM 598 CB ILE A 41 -1.729 -1.802 2.570 1.00 0.00 C ATOM 599 CG1 ILE A 41 -0.194 -1.648 2.535 1.00 0.00 C ATOM 600 CG2 ILE A 41 -2.310 -1.143 1.280 1.00 0.00 C ATOM 601 CD1 ILE A 41 0.379 -0.253 2.243 1.00 0.00 C ATOM 0 H ILE A 41 -2.599 -2.418 5.334 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.932 -0.048 3.782 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.957 -2.865 2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.198 -1.976 3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.194 -2.334 1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.896 -1.637 0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.395 -1.245 1.277 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.045 -0.086 1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.468 -0.298 2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.036 0.084 1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.040 0.447 3.007 1.00 0.00 H new ATOM 613 N VAL A 42 -4.464 0.236 3.815 1.00 0.00 N ATOM 614 CA VAL A 42 -5.901 0.469 3.621 1.00 0.00 C ATOM 615 C VAL A 42 -6.184 1.566 2.607 1.00 0.00 C ATOM 616 O VAL A 42 -5.707 2.684 2.780 1.00 0.00 O ATOM 617 CB VAL A 42 -6.613 0.814 4.923 1.00 0.00 C ATOM 618 CG1 VAL A 42 -6.867 -0.479 5.676 1.00 0.00 C ATOM 619 CG2 VAL A 42 -5.890 1.804 5.834 1.00 0.00 C ATOM 0 H VAL A 42 -3.958 1.059 4.142 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.290 -0.475 3.239 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.533 1.326 4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.377 -0.260 6.614 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.490 -1.137 5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.917 -0.971 5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.486 1.976 6.730 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.919 1.396 6.117 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.748 2.747 5.306 1.00 0.00 H new ATOM 629 N PHE A 43 -6.931 1.262 1.536 1.00 0.00 N ATOM 630 CA PHE A 43 -7.309 2.238 0.528 1.00 0.00 C ATOM 631 C PHE A 43 -8.529 3.050 0.981 1.00 0.00 C ATOM 632 O PHE A 43 -9.253 2.662 1.905 1.00 0.00 O ATOM 633 CB PHE A 43 -7.593 1.534 -0.794 1.00 0.00 C ATOM 634 CG PHE A 43 -6.381 1.282 -1.657 1.00 0.00 C ATOM 635 CD1 PHE A 43 -5.429 0.311 -1.303 1.00 0.00 C ATOM 636 CD2 PHE A 43 -6.202 2.051 -2.820 1.00 0.00 C ATOM 637 CE1 PHE A 43 -4.309 0.109 -2.118 1.00 0.00 C ATOM 638 CE2 PHE A 43 -5.095 1.833 -3.655 1.00 0.00 C ATOM 639 CZ PHE A 43 -4.150 0.859 -3.295 1.00 0.00 C ATOM 0 H PHE A 43 -7.287 0.324 1.352 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.480 2.932 0.388 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.075 0.579 -0.583 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.306 2.133 -1.361 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.561 -0.277 -0.406 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.922 2.815 -3.073 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.566 -0.625 -1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.972 2.407 -4.562 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.293 0.685 -3.929 1.00 0.00 H new ATOM 649 N ALA A 44 -8.726 4.196 0.324 1.00 0.00 N ATOM 650 CA ALA A 44 -9.803 5.134 0.633 1.00 0.00 C ATOM 651 C ALA A 44 -11.137 4.933 -0.114 1.00 0.00 C ATOM 652 O ALA A 44 -12.120 5.507 0.350 1.00 0.00 O ATOM 653 CB ALA A 44 -9.270 6.551 0.386 1.00 0.00 C ATOM 0 H ALA A 44 -8.133 4.501 -0.448 1.00 0.00 H new ATOM 0 HA ALA A 44 -10.070 4.950 1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -10.052 7.278 0.608 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.411 6.734 1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.968 6.650 -0.657 1.00 0.00 H new ATOM 659 N ALA A 45 -11.211 4.133 -1.194 1.00 0.00 N ATOM 660 CA ALA A 45 -12.416 3.903 -2.017 1.00 0.00 C ATOM 661 C ALA A 45 -12.762 5.131 -2.892 1.00 0.00 C ATOM 662 O ALA A 45 -13.925 5.491 -3.047 1.00 0.00 O ATOM 663 CB ALA A 45 -13.605 3.444 -1.141 1.00 0.00 C ATOM 0 H ALA A 45 -10.404 3.609 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.196 3.091 -2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -14.480 3.282 -1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.346 2.515 -0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.829 4.212 -0.400 1.00 0.00 H new ATOM 669 N ASP A 46 -11.741 5.791 -3.460 1.00 0.00 N ATOM 670 CA ASP A 46 -11.834 7.000 -4.283 1.00 0.00 C ATOM 671 C ASP A 46 -12.942 7.050 -5.362 1.00 0.00 C ATOM 672 O ASP A 46 -13.346 8.168 -5.692 1.00 0.00 O ATOM 673 CB ASP A 46 -10.468 7.267 -4.947 1.00 0.00 C ATOM 674 CG ASP A 46 -9.275 7.339 -3.982 1.00 0.00 C ATOM 675 OD1 ASP A 46 -9.008 6.342 -3.269 1.00 0.00 O ATOM 676 OD2 ASP A 46 -8.533 8.353 -4.013 1.00 0.00 O ATOM 0 H ASP A 46 -10.777 5.476 -3.350 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.126 7.775 -3.574 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.277 6.481 -5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.527 8.206 -5.497 1.00 0.00 H new ATOM 681 N GLY A 47 -13.469 5.920 -5.889 1.00 0.00 N ATOM 682 CA GLY A 47 -14.494 6.002 -6.954 1.00 0.00 C ATOM 683 C GLY A 47 -15.592 4.944 -6.915 1.00 0.00 C ATOM 684 O GLY A 47 -16.580 5.105 -6.194 1.00 0.00 O ATOM 0 H GLY A 47 -13.213 4.974 -5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.963 6.985 -6.903 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.991 5.938 -7.919 1.00 0.00 H new ATOM 688 N VAL A 48 -15.465 3.911 -7.757 1.00 0.00 N ATOM 689 CA VAL A 48 -16.413 2.793 -7.805 1.00 0.00 C ATOM 690 C VAL A 48 -15.725 1.442 -7.669 1.00 0.00 C ATOM 691 O VAL A 48 -16.414 0.435 -7.486 1.00 0.00 O ATOM 692 CB VAL A 48 -17.307 2.858 -9.054 1.00 0.00 C ATOM 693 CG1 VAL A 48 -16.885 2.019 -10.273 1.00 0.00 C ATOM 694 CG2 VAL A 48 -18.757 2.489 -8.703 1.00 0.00 C ATOM 0 H VAL A 48 -14.699 3.828 -8.426 1.00 0.00 H new ATOM 0 HA VAL A 48 -17.063 2.897 -6.936 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.197 3.897 -9.366 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -17.605 2.161 -11.079 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -15.898 2.336 -10.609 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -16.853 0.965 -9.996 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -19.373 2.541 -9.601 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -18.787 1.477 -8.300 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -19.140 3.187 -7.959 1.00 0.00 H new ATOM 704 N ASP A 49 -14.390 1.401 -7.727 1.00 0.00 N ATOM 705 CA ASP A 49 -13.684 0.153 -7.560 1.00 0.00 C ATOM 706 C ASP A 49 -13.783 -0.316 -6.116 1.00 0.00 C ATOM 707 O ASP A 49 -13.841 0.459 -5.154 1.00 0.00 O ATOM 708 CB ASP A 49 -12.198 0.219 -7.947 1.00 0.00 C ATOM 709 CG ASP A 49 -11.620 -1.162 -8.303 1.00 0.00 C ATOM 710 OD1 ASP A 49 -12.374 -2.161 -8.265 1.00 0.00 O ATOM 711 OD2 ASP A 49 -10.418 -1.223 -8.640 1.00 0.00 O ATOM 0 H ASP A 49 -13.794 2.213 -7.887 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.167 -0.548 -8.241 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.077 0.890 -8.797 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.629 0.645 -7.121 1.00 0.00 H new ATOM 716 N ALA A 50 -13.707 -1.630 -5.982 1.00 0.00 N ATOM 717 CA ALA A 50 -13.732 -2.295 -4.714 1.00 0.00 C ATOM 718 C ALA A 50 -12.384 -2.217 -4.017 1.00 0.00 C ATOM 719 O ALA A 50 -11.640 -3.200 -3.989 1.00 0.00 O ATOM 720 CB ALA A 50 -14.253 -3.726 -4.900 1.00 0.00 C ATOM 0 H ALA A 50 -13.625 -2.266 -6.775 1.00 0.00 H new ATOM 0 HA ALA A 50 -14.423 -1.785 -4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -14.273 -4.234 -3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -15.260 -3.695 -5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.596 -4.267 -5.582 1.00 0.00 H new ATOM 726 N ASP A 51 -12.063 -1.048 -3.441 1.00 0.00 N ATOM 727 CA ASP A 51 -10.816 -0.892 -2.684 1.00 0.00 C ATOM 728 C ASP A 51 -10.710 -2.002 -1.604 1.00 0.00 C ATOM 729 O ASP A 51 -9.630 -2.493 -1.265 1.00 0.00 O ATOM 730 CB ASP A 51 -10.777 0.533 -2.140 1.00 0.00 C ATOM 731 CG ASP A 51 -11.612 0.710 -0.874 1.00 0.00 C ATOM 732 OD1 ASP A 51 -12.792 0.305 -0.899 1.00 0.00 O ATOM 733 OD2 ASP A 51 -11.040 1.168 0.143 1.00 0.00 O ATOM 0 H ASP A 51 -12.642 -0.209 -3.485 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.933 -1.023 -3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.744 0.807 -1.929 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.139 1.219 -2.906 1.00 0.00 H new ATOM 738 N THR A 52 -11.873 -2.466 -1.121 1.00 0.00 N ATOM 739 CA THR A 52 -12.094 -3.543 -0.143 1.00 0.00 C ATOM 740 C THR A 52 -11.619 -4.941 -0.616 1.00 0.00 C ATOM 741 O THR A 52 -11.806 -5.921 0.110 1.00 0.00 O ATOM 742 CB THR A 52 -13.569 -3.573 0.293 1.00 0.00 C ATOM 743 OG1 THR A 52 -13.636 -4.358 1.458 1.00 0.00 O ATOM 744 CG2 THR A 52 -14.544 -4.127 -0.753 1.00 0.00 C ATOM 0 H THR A 52 -12.758 -2.063 -1.431 1.00 0.00 H new ATOM 0 HA THR A 52 -11.466 -3.306 0.716 1.00 0.00 H new ATOM 0 HB THR A 52 -13.885 -2.542 0.450 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.961 -5.067 1.414 1.00 0.00 H new ATOM 0 HG21 THR A 52 -15.557 -4.107 -0.352 1.00 0.00 H new ATOM 0 HG22 THR A 52 -14.498 -3.515 -1.654 1.00 0.00 H new ATOM 0 HG23 THR A 52 -14.271 -5.153 -0.998 1.00 0.00 H new ATOM 752 N ALA A 53 -11.042 -5.029 -1.819 1.00 0.00 N ATOM 753 CA ALA A 53 -10.465 -6.202 -2.478 1.00 0.00 C ATOM 754 C ALA A 53 -9.035 -5.898 -2.999 1.00 0.00 C ATOM 755 O ALA A 53 -8.421 -6.743 -3.654 1.00 0.00 O ATOM 756 CB ALA A 53 -11.413 -6.656 -3.597 1.00 0.00 C ATOM 0 H ALA A 53 -10.960 -4.202 -2.410 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.360 -7.018 -1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.994 -7.530 -4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.383 -6.912 -3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.536 -5.849 -4.320 1.00 0.00 H new ATOM 762 N ALA A 54 -8.516 -4.692 -2.708 1.00 0.00 N ATOM 763 CA ALA A 54 -7.218 -4.165 -3.119 1.00 0.00 C ATOM 764 C ALA A 54 -6.433 -3.510 -1.955 1.00 0.00 C ATOM 765 O ALA A 54 -5.402 -2.873 -2.165 1.00 0.00 O ATOM 766 CB ALA A 54 -7.458 -3.210 -4.285 1.00 0.00 C ATOM 0 H ALA A 54 -9.033 -4.020 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.575 -4.985 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.506 -2.796 -4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.927 -3.750 -5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.113 -2.400 -3.963 1.00 0.00 H new ATOM 772 N LYS A 55 -6.920 -3.686 -0.719 1.00 0.00 N ATOM 773 CA LYS A 55 -6.380 -3.233 0.568 1.00 0.00 C ATOM 774 C LYS A 55 -6.389 -4.387 1.596 1.00 0.00 C ATOM 775 O LYS A 55 -7.116 -5.361 1.415 1.00 0.00 O ATOM 776 CB LYS A 55 -7.208 -2.001 0.977 1.00 0.00 C ATOM 777 CG LYS A 55 -8.514 -2.242 1.776 1.00 0.00 C ATOM 778 CD LYS A 55 -9.232 -0.907 2.064 1.00 0.00 C ATOM 779 CE LYS A 55 -10.724 -1.012 2.405 1.00 0.00 C ATOM 780 NZ LYS A 55 -11.303 0.339 2.620 1.00 0.00 N ATOM 0 H LYS A 55 -7.790 -4.201 -0.584 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.332 -2.940 0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.567 -1.349 1.571 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.466 -1.455 0.070 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.174 -2.901 1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.284 -2.747 2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.723 -0.414 2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.122 -0.262 1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.253 -1.517 1.597 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.857 -1.618 3.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.341 0.282 2.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.011 0.697 3.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.963 0.984 1.879 1.00 0.00 H new ATOM 794 N LEU A 56 -5.629 -4.268 2.693 1.00 0.00 N ATOM 795 CA LEU A 56 -5.521 -5.227 3.804 1.00 0.00 C ATOM 796 C LEU A 56 -6.831 -5.296 4.596 1.00 0.00 C ATOM 797 O LEU A 56 -7.525 -6.307 4.567 1.00 0.00 O ATOM 798 CB LEU A 56 -4.349 -4.869 4.770 1.00 0.00 C ATOM 799 CG LEU A 56 -3.032 -5.644 4.578 1.00 0.00 C ATOM 800 CD1 LEU A 56 -1.937 -5.138 5.533 1.00 0.00 C ATOM 801 CD2 LEU A 56 -3.235 -7.135 4.870 1.00 0.00 C ATOM 0 H LEU A 56 -5.037 -3.450 2.839 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.315 -6.201 3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.136 -3.805 4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.691 -5.027 5.793 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.727 -5.489 3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.021 -5.707 5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.747 -4.082 5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.266 -5.266 6.564 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.293 -7.665 4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.572 -7.262 5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.985 -7.540 4.190 1.00 0.00 H new ATOM 813 N SER A 57 -7.148 -4.205 5.305 1.00 0.00 N ATOM 814 CA SER A 57 -8.288 -3.951 6.198 1.00 0.00 C ATOM 815 C SER A 57 -7.837 -2.955 7.254 1.00 0.00 C ATOM 816 O SER A 57 -6.654 -2.921 7.592 1.00 0.00 O ATOM 817 CB SER A 57 -8.869 -5.217 6.852 1.00 0.00 C ATOM 818 OG SER A 57 -9.741 -4.842 7.900 1.00 0.00 O ATOM 0 H SER A 57 -6.543 -3.385 5.262 1.00 0.00 H new ATOM 0 HA SER A 57 -9.104 -3.551 5.596 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.406 -5.810 6.111 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.065 -5.843 7.239 1.00 0.00 H new ATOM 0 HG SER A 57 -10.115 -5.646 8.318 1.00 0.00 H new ATOM 824 N HIS A 58 -8.748 -2.178 7.847 1.00 0.00 N ATOM 825 CA HIS A 58 -8.482 -1.199 8.913 1.00 0.00 C ATOM 826 C HIS A 58 -8.104 -1.872 10.251 1.00 0.00 C ATOM 827 O HIS A 58 -8.164 -1.278 11.329 1.00 0.00 O ATOM 828 CB HIS A 58 -9.678 -0.241 8.990 1.00 0.00 C ATOM 829 CG HIS A 58 -9.879 0.500 7.686 1.00 0.00 C ATOM 830 ND1 HIS A 58 -9.309 1.707 7.354 1.00 0.00 N ATOM 831 CD2 HIS A 58 -10.543 0.040 6.578 1.00 0.00 C ATOM 832 CE1 HIS A 58 -9.651 1.981 6.081 1.00 0.00 C ATOM 833 NE2 HIS A 58 -10.379 0.979 5.555 1.00 0.00 N ATOM 0 H HIS A 58 -9.734 -2.213 7.589 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.597 -0.609 8.675 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.580 -0.802 9.234 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -9.521 0.475 9.796 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -8.732 2.289 7.962 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.096 -0.885 6.508 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.378 2.883 5.553 1.00 0.00 H new ATOM 841 N LYS A 59 -7.772 -3.160 10.171 1.00 0.00 N ATOM 842 CA LYS A 59 -7.330 -4.066 11.208 1.00 0.00 C ATOM 843 C LYS A 59 -6.294 -5.076 10.675 1.00 0.00 C ATOM 844 O LYS A 59 -5.610 -5.654 11.513 1.00 0.00 O ATOM 845 CB LYS A 59 -8.559 -4.773 11.811 1.00 0.00 C ATOM 846 CG LYS A 59 -8.385 -5.155 13.292 1.00 0.00 C ATOM 847 CD LYS A 59 -8.965 -4.130 14.285 1.00 0.00 C ATOM 848 CE LYS A 59 -8.161 -2.830 14.457 1.00 0.00 C ATOM 849 NZ LYS A 59 -8.876 -1.640 13.931 1.00 0.00 N ATOM 0 H LYS A 59 -7.814 -3.639 9.271 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.827 -3.498 11.991 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.427 -4.122 11.712 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.769 -5.674 11.234 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.862 -6.120 13.464 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.323 -5.283 13.499 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.973 -3.871 13.962 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.056 -4.609 15.260 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.943 -2.680 15.514 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.204 -2.929 13.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.402 -0.776 14.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.868 -1.662 12.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.859 -1.648 14.270 1.00 0.00 H new ATOM 863 N GLY A 60 -6.140 -5.321 9.347 1.00 0.00 N ATOM 864 CA GLY A 60 -5.103 -6.265 8.856 1.00 0.00 C ATOM 865 C GLY A 60 -3.705 -5.777 9.244 1.00 0.00 C ATOM 866 O GLY A 60 -3.520 -4.569 9.374 1.00 0.00 O ATOM 0 H GLY A 60 -6.705 -4.890 8.615 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.278 -7.256 9.275 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.173 -6.360 7.772 1.00 0.00 H new ATOM 870 N LEU A 61 -2.703 -6.656 9.368 1.00 0.00 N ATOM 871 CA LEU A 61 -1.380 -6.220 9.795 1.00 0.00 C ATOM 872 C LEU A 61 -0.191 -7.028 9.282 1.00 0.00 C ATOM 873 O LEU A 61 -0.232 -8.259 9.214 1.00 0.00 O ATOM 874 CB LEU A 61 -1.386 -6.251 11.333 1.00 0.00 C ATOM 875 CG LEU A 61 -0.284 -5.396 11.959 1.00 0.00 C ATOM 876 CD1 LEU A 61 -0.707 -3.924 11.931 1.00 0.00 C ATOM 877 CD2 LEU A 61 -0.051 -5.836 13.407 1.00 0.00 C ATOM 0 H LEU A 61 -2.786 -7.655 9.181 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.225 -5.231 9.363 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.354 -5.904 11.693 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.272 -7.282 11.669 1.00 0.00 H new ATOM 0 HG LEU A 61 0.639 -5.521 11.393 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.077 -3.312 12.377 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.869 -3.612 10.899 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.630 -3.800 12.497 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.735 -5.225 13.851 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.972 -5.713 13.977 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.250 -6.883 13.425 1.00 0.00 H new ATOM 889 N ALA A 62 0.894 -6.293 9.001 1.00 0.00 N ATOM 890 CA ALA A 62 2.147 -6.841 8.569 1.00 0.00 C ATOM 891 C ALA A 62 3.061 -6.495 9.748 1.00 0.00 C ATOM 892 O ALA A 62 3.364 -5.324 9.971 1.00 0.00 O ATOM 893 CB ALA A 62 2.503 -6.262 7.191 1.00 0.00 C ATOM 0 H ALA A 62 0.904 -5.276 9.076 1.00 0.00 H new ATOM 0 HA ALA A 62 2.196 -7.913 8.379 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.455 -6.675 6.858 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.724 -6.522 6.475 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.583 -5.177 7.262 1.00 0.00 H new ATOM 899 N PHE A 63 3.467 -7.488 10.536 1.00 0.00 N ATOM 900 CA PHE A 63 4.307 -7.296 11.722 1.00 0.00 C ATOM 901 C PHE A 63 5.715 -7.893 11.600 1.00 0.00 C ATOM 902 O PHE A 63 6.637 -7.378 12.229 1.00 0.00 O ATOM 903 CB PHE A 63 3.574 -7.804 12.972 1.00 0.00 C ATOM 904 CG PHE A 63 3.612 -9.310 13.161 1.00 0.00 C ATOM 905 CD1 PHE A 63 2.728 -10.141 12.447 1.00 0.00 C ATOM 906 CD2 PHE A 63 4.573 -9.883 14.017 1.00 0.00 C ATOM 907 CE1 PHE A 63 2.821 -11.538 12.573 1.00 0.00 C ATOM 908 CE2 PHE A 63 4.656 -11.280 14.153 1.00 0.00 C ATOM 909 CZ PHE A 63 3.785 -12.107 13.421 1.00 0.00 C ATOM 0 H PHE A 63 3.220 -8.463 10.369 1.00 0.00 H new ATOM 0 HA PHE A 63 4.474 -6.223 11.816 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.011 -7.330 13.851 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.533 -7.484 12.922 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.979 -9.705 11.803 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.248 -9.247 14.571 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.150 -12.175 12.016 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.387 -11.717 14.818 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.858 -13.181 13.511 1.00 0.00 H new ATOM 919 N ALA A 64 5.907 -8.924 10.774 1.00 0.00 N ATOM 920 CA ALA A 64 7.189 -9.590 10.564 1.00 0.00 C ATOM 921 C ALA A 64 7.772 -9.259 9.181 1.00 0.00 C ATOM 922 O ALA A 64 7.070 -9.296 8.171 1.00 0.00 O ATOM 923 CB ALA A 64 7.000 -11.098 10.764 1.00 0.00 C ATOM 0 H ALA A 64 5.153 -9.328 10.219 1.00 0.00 H new ATOM 0 HA ALA A 64 7.914 -9.226 11.293 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.951 -11.608 10.610 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.646 -11.289 11.777 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.268 -11.471 10.048 1.00 0.00 H new ATOM 929 N ALA A 65 9.074 -8.954 9.145 1.00 0.00 N ATOM 930 CA ALA A 65 9.819 -8.601 7.933 1.00 0.00 C ATOM 931 C ALA A 65 9.660 -9.665 6.842 1.00 0.00 C ATOM 932 O ALA A 65 10.116 -10.797 7.007 1.00 0.00 O ATOM 933 CB ALA A 65 11.283 -8.321 8.296 1.00 0.00 C ATOM 0 H ALA A 65 9.655 -8.946 9.983 1.00 0.00 H new ATOM 0 HA ALA A 65 9.404 -7.688 7.507 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.837 -8.058 7.395 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.330 -7.494 9.005 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.723 -9.211 8.746 1.00 0.00 H new ATOM 939 N GLY A 66 9.004 -9.289 5.734 1.00 0.00 N ATOM 940 CA GLY A 66 8.714 -10.174 4.614 1.00 0.00 C ATOM 941 C GLY A 66 7.221 -10.484 4.474 1.00 0.00 C ATOM 942 O GLY A 66 6.849 -11.078 3.464 1.00 0.00 O ATOM 0 H GLY A 66 8.656 -8.340 5.596 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.073 -9.716 3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.264 -11.107 4.742 1.00 0.00 H new ATOM 946 N GLU A 67 6.367 -10.153 5.458 1.00 0.00 N ATOM 947 CA GLU A 67 4.924 -10.401 5.314 1.00 0.00 C ATOM 948 C GLU A 67 4.376 -9.587 4.129 1.00 0.00 C ATOM 949 O GLU A 67 4.993 -8.616 3.684 1.00 0.00 O ATOM 950 CB GLU A 67 4.175 -10.132 6.629 1.00 0.00 C ATOM 951 CG GLU A 67 4.402 -11.304 7.602 1.00 0.00 C ATOM 952 CD GLU A 67 3.693 -11.116 8.947 1.00 0.00 C ATOM 953 OE1 GLU A 67 3.729 -9.972 9.466 1.00 0.00 O ATOM 954 OE2 GLU A 67 3.149 -12.114 9.470 1.00 0.00 O ATOM 0 H GLU A 67 6.643 -9.723 6.341 1.00 0.00 H new ATOM 0 HA GLU A 67 4.758 -11.455 5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.527 -9.202 7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.110 -10.009 6.434 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.050 -12.226 7.139 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.472 -11.422 7.776 1.00 0.00 H new ATOM 961 N SER A 68 3.193 -9.914 3.609 1.00 0.00 N ATOM 962 CA SER A 68 2.707 -9.176 2.440 1.00 0.00 C ATOM 963 C SER A 68 1.223 -9.286 2.188 1.00 0.00 C ATOM 964 O SER A 68 0.542 -10.161 2.725 1.00 0.00 O ATOM 965 CB SER A 68 3.493 -9.729 1.227 1.00 0.00 C ATOM 966 OG SER A 68 2.970 -9.399 -0.043 1.00 0.00 O ATOM 0 H SER A 68 2.577 -10.649 3.957 1.00 0.00 H new ATOM 0 HA SER A 68 2.871 -8.113 2.614 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.518 -9.363 1.284 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.537 -10.815 1.310 1.00 0.00 H new ATOM 0 HG SER A 68 3.129 -8.449 -0.226 1.00 0.00 H new ATOM 972 N PHE A 69 0.725 -8.345 1.370 1.00 0.00 N ATOM 973 CA PHE A 69 -0.685 -8.400 1.002 1.00 0.00 C ATOM 974 C PHE A 69 -0.604 -7.944 -0.486 1.00 0.00 C ATOM 975 O PHE A 69 0.211 -7.077 -0.802 1.00 0.00 O ATOM 976 CB PHE A 69 -1.596 -7.428 1.794 1.00 0.00 C ATOM 977 CG PHE A 69 -2.026 -6.185 1.093 1.00 0.00 C ATOM 978 CD1 PHE A 69 -1.218 -5.053 1.025 1.00 0.00 C ATOM 979 CD2 PHE A 69 -3.272 -6.231 0.444 1.00 0.00 C ATOM 980 CE1 PHE A 69 -1.680 -3.969 0.279 1.00 0.00 C ATOM 981 CE2 PHE A 69 -3.713 -5.142 -0.309 1.00 0.00 C ATOM 982 CZ PHE A 69 -2.917 -3.994 -0.383 1.00 0.00 C ATOM 0 H PHE A 69 1.256 -7.572 0.969 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.125 -9.378 1.198 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.490 -7.973 2.098 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.073 -7.140 2.706 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.266 -5.016 1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.890 -7.112 0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.067 -3.083 0.209 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.659 -5.185 -0.829 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.252 -3.134 -0.945 1.00 0.00 H new ATOM 992 N THR A 70 -1.438 -8.430 -1.411 1.00 0.00 N ATOM 993 CA THR A 70 -1.410 -7.980 -2.811 1.00 0.00 C ATOM 994 C THR A 70 -2.728 -7.345 -3.222 1.00 0.00 C ATOM 995 O THR A 70 -3.792 -7.701 -2.714 1.00 0.00 O ATOM 996 CB THR A 70 -0.979 -9.125 -3.739 1.00 0.00 C ATOM 997 OG1 THR A 70 -0.773 -8.640 -5.045 1.00 0.00 O ATOM 998 CG2 THR A 70 -1.957 -10.302 -3.817 1.00 0.00 C ATOM 0 H THR A 70 -2.145 -9.139 -1.216 1.00 0.00 H new ATOM 0 HA THR A 70 -0.660 -7.195 -2.906 1.00 0.00 H new ATOM 0 HB THR A 70 -0.060 -9.508 -3.294 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.497 -9.378 -5.628 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.563 -11.058 -4.497 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.083 -10.736 -2.825 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.921 -9.950 -4.184 1.00 0.00 H new ATOM 1006 N SER A 71 -2.621 -6.392 -4.155 1.00 0.00 N ATOM 1007 CA SER A 71 -3.736 -5.623 -4.665 1.00 0.00 C ATOM 1008 C SER A 71 -3.657 -5.559 -6.177 1.00 0.00 C ATOM 1009 O SER A 71 -2.571 -5.394 -6.719 1.00 0.00 O ATOM 1010 CB SER A 71 -3.666 -4.239 -4.046 1.00 0.00 C ATOM 1011 OG SER A 71 -2.495 -3.560 -4.388 1.00 0.00 O ATOM 0 H SER A 71 -1.730 -6.136 -4.580 1.00 0.00 H new ATOM 0 HA SER A 71 -4.688 -6.086 -4.405 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.528 -3.656 -4.369 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.728 -4.326 -2.961 1.00 0.00 H new ATOM 0 HG SER A 71 -1.776 -4.207 -4.546 1.00 0.00 H new ATOM 1017 N THR A 72 -4.822 -5.633 -6.815 1.00 0.00 N ATOM 1018 CA THR A 72 -5.049 -5.644 -8.268 1.00 0.00 C ATOM 1019 C THR A 72 -6.276 -4.783 -8.558 1.00 0.00 C ATOM 1020 O THR A 72 -7.338 -5.040 -7.996 1.00 0.00 O ATOM 1021 CB THR A 72 -5.259 -7.083 -8.785 1.00 0.00 C ATOM 1022 OG1 THR A 72 -4.220 -7.951 -8.381 1.00 0.00 O ATOM 1023 CG2 THR A 72 -5.290 -7.167 -10.311 1.00 0.00 C ATOM 0 H THR A 72 -5.699 -5.691 -6.298 1.00 0.00 H new ATOM 0 HA THR A 72 -4.176 -5.243 -8.783 1.00 0.00 H new ATOM 0 HB THR A 72 -6.218 -7.379 -8.360 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.393 -8.851 -8.728 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.440 -8.203 -10.615 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.107 -6.554 -10.693 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.345 -6.804 -10.715 1.00 0.00 H new ATOM 1031 N PHE A 73 -6.132 -3.778 -9.427 1.00 0.00 N ATOM 1032 CA PHE A 73 -7.164 -2.807 -9.803 1.00 0.00 C ATOM 1033 C PHE A 73 -7.218 -2.311 -11.247 1.00 0.00 C ATOM 1034 O PHE A 73 -6.207 -2.103 -11.923 1.00 0.00 O ATOM 1035 CB PHE A 73 -7.155 -1.680 -8.761 1.00 0.00 C ATOM 1036 CG PHE A 73 -5.880 -1.340 -8.013 1.00 0.00 C ATOM 1037 CD1 PHE A 73 -4.611 -1.341 -8.610 1.00 0.00 C ATOM 1038 CD2 PHE A 73 -5.983 -1.191 -6.622 1.00 0.00 C ATOM 1039 CE1 PHE A 73 -3.463 -1.171 -7.814 1.00 0.00 C ATOM 1040 CE2 PHE A 73 -4.840 -1.077 -5.823 1.00 0.00 C ATOM 1041 CZ PHE A 73 -3.570 -1.053 -6.413 1.00 0.00 C ATOM 0 H PHE A 73 -5.250 -3.611 -9.911 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.104 -3.359 -9.789 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -7.485 -0.772 -9.265 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.912 -1.924 -8.015 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.515 -1.472 -9.678 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.959 -1.164 -6.161 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.490 -1.131 -8.281 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.937 -1.007 -4.750 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.685 -0.946 -5.803 1.00 0.00 H new ATOM 1051 N THR A 74 -8.470 -2.061 -11.669 1.00 0.00 N ATOM 1052 CA THR A 74 -8.863 -1.648 -13.015 1.00 0.00 C ATOM 1053 C THR A 74 -9.812 -0.464 -13.242 1.00 0.00 C ATOM 1054 O THR A 74 -10.298 -0.366 -14.370 1.00 0.00 O ATOM 1055 CB THR A 74 -9.450 -2.915 -13.673 1.00 0.00 C ATOM 1056 OG1 THR A 74 -9.567 -2.746 -15.060 1.00 0.00 O ATOM 1057 CG2 THR A 74 -10.829 -3.319 -13.138 1.00 0.00 C ATOM 0 H THR A 74 -9.271 -2.148 -11.044 1.00 0.00 H new ATOM 0 HA THR A 74 -7.952 -1.234 -13.448 1.00 0.00 H new ATOM 0 HB THR A 74 -8.745 -3.708 -13.423 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.884 -1.839 -15.253 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.170 -4.218 -13.652 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.761 -3.517 -12.068 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.538 -2.510 -13.313 1.00 0.00 H new ATOM 1065 N GLU A 75 -10.094 0.425 -12.295 1.00 0.00 N ATOM 1066 CA GLU A 75 -10.974 1.551 -12.617 1.00 0.00 C ATOM 1067 C GLU A 75 -10.058 2.721 -13.011 1.00 0.00 C ATOM 1068 O GLU A 75 -9.337 3.222 -12.151 1.00 0.00 O ATOM 1069 CB GLU A 75 -11.948 1.849 -11.456 1.00 0.00 C ATOM 1070 CG GLU A 75 -11.657 3.012 -10.489 1.00 0.00 C ATOM 1071 CD GLU A 75 -12.870 3.366 -9.633 1.00 0.00 C ATOM 1072 OE1 GLU A 75 -13.958 3.609 -10.190 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -12.750 3.457 -8.392 1.00 0.00 O ATOM 0 H GLU A 75 -9.745 0.397 -11.337 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.637 1.334 -13.455 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.930 2.029 -11.894 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.027 0.941 -10.858 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.823 2.744 -9.841 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.348 3.888 -11.059 1.00 0.00 H new ATOM 1080 N PRO A 76 -9.993 3.127 -14.297 1.00 0.00 N ATOM 1081 CA PRO A 76 -9.139 4.229 -14.708 1.00 0.00 C ATOM 1082 C PRO A 76 -9.429 5.449 -13.832 1.00 0.00 C ATOM 1083 O PRO A 76 -10.557 5.945 -13.705 1.00 0.00 O ATOM 1084 CB PRO A 76 -9.305 4.421 -16.212 1.00 0.00 C ATOM 1085 CG PRO A 76 -10.471 3.516 -16.597 1.00 0.00 C ATOM 1086 CD PRO A 76 -10.599 2.508 -15.455 1.00 0.00 C ATOM 0 HA PRO A 76 -8.079 4.031 -14.552 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.516 5.462 -16.456 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.397 4.145 -16.748 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.390 4.090 -16.719 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.281 3.013 -17.545 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.645 2.267 -15.264 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.097 1.573 -15.704 1.00 0.00 H new ATOM 1094 N GLY A 77 -8.349 5.827 -13.158 1.00 0.00 N ATOM 1095 CA GLY A 77 -8.209 6.884 -12.197 1.00 0.00 C ATOM 1096 C GLY A 77 -7.159 6.473 -11.157 1.00 0.00 C ATOM 1097 O GLY A 77 -6.561 5.387 -11.163 1.00 0.00 O ATOM 0 H GLY A 77 -7.463 5.341 -13.295 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -7.908 7.807 -12.693 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.165 7.081 -11.711 1.00 0.00 H new ATOM 1101 N THR A 78 -6.969 7.375 -10.207 1.00 0.00 N ATOM 1102 CA THR A 78 -6.000 7.236 -9.144 1.00 0.00 C ATOM 1103 C THR A 78 -6.666 7.062 -7.792 1.00 0.00 C ATOM 1104 O THR A 78 -7.529 7.860 -7.426 1.00 0.00 O ATOM 1105 CB THR A 78 -5.042 8.429 -9.213 1.00 0.00 C ATOM 1106 OG1 THR A 78 -4.178 8.401 -8.116 1.00 0.00 O ATOM 1107 CG2 THR A 78 -5.693 9.812 -9.220 1.00 0.00 C ATOM 0 H THR A 78 -7.500 8.244 -10.157 1.00 0.00 H new ATOM 0 HA THR A 78 -5.419 6.323 -9.277 1.00 0.00 H new ATOM 0 HB THR A 78 -4.539 8.306 -10.172 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.788 7.506 -8.030 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.919 10.578 -9.271 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.349 9.901 -10.086 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.275 9.945 -8.308 1.00 0.00 H new ATOM 1115 N TYR A 79 -6.218 6.057 -7.026 1.00 0.00 N ATOM 1116 CA TYR A 79 -6.704 5.767 -5.693 1.00 0.00 C ATOM 1117 C TYR A 79 -5.669 5.777 -4.593 1.00 0.00 C ATOM 1118 O TYR A 79 -4.496 5.437 -4.741 1.00 0.00 O ATOM 1119 CB TYR A 79 -7.629 4.513 -5.684 1.00 0.00 C ATOM 1120 CG TYR A 79 -7.515 3.376 -6.678 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -7.699 3.721 -8.033 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -7.800 2.055 -6.267 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -8.174 2.799 -8.958 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -8.339 1.134 -7.191 1.00 0.00 C ATOM 1125 CZ TYR A 79 -8.552 1.527 -8.532 1.00 0.00 C ATOM 1126 OH TYR A 79 -9.137 0.721 -9.449 1.00 0.00 O ATOM 0 H TYR A 79 -5.489 5.414 -7.335 1.00 0.00 H new ATOM 0 HA TYR A 79 -7.318 6.627 -5.425 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.528 4.066 -4.695 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.650 4.886 -5.762 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.466 4.724 -8.359 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.606 1.751 -5.249 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -8.250 3.067 -10.002 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -8.588 0.132 -6.874 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.399 -0.122 -9.024 1.00 0.00 H new ATOM 1136 N THR A 80 -6.154 6.402 -3.516 1.00 0.00 N ATOM 1137 CA THR A 80 -5.474 6.683 -2.274 1.00 0.00 C ATOM 1138 C THR A 80 -5.512 5.516 -1.300 1.00 0.00 C ATOM 1139 O THR A 80 -6.473 4.755 -1.233 1.00 0.00 O ATOM 1140 CB THR A 80 -6.103 7.927 -1.603 1.00 0.00 C ATOM 1141 OG1 THR A 80 -6.544 8.918 -2.518 1.00 0.00 O ATOM 1142 CG2 THR A 80 -5.118 8.634 -0.673 1.00 0.00 C ATOM 0 H THR A 80 -7.113 6.748 -3.502 1.00 0.00 H new ATOM 0 HA THR A 80 -4.428 6.866 -2.522 1.00 0.00 H new ATOM 0 HB THR A 80 -6.955 7.516 -1.062 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.485 8.760 -2.742 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.601 9.502 -0.223 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.802 7.947 0.112 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.248 8.958 -1.244 1.00 0.00 H new ATOM 1150 N TYR A 81 -4.454 5.412 -0.506 1.00 0.00 N ATOM 1151 CA TYR A 81 -4.254 4.422 0.536 1.00 0.00 C ATOM 1152 C TYR A 81 -3.289 4.951 1.577 1.00 0.00 C ATOM 1153 O TYR A 81 -2.626 5.969 1.370 1.00 0.00 O ATOM 1154 CB TYR A 81 -3.739 3.115 -0.086 1.00 0.00 C ATOM 1155 CG TYR A 81 -2.348 3.270 -0.646 1.00 0.00 C ATOM 1156 CD1 TYR A 81 -2.171 3.931 -1.875 1.00 0.00 C ATOM 1157 CD2 TYR A 81 -1.238 2.868 0.114 1.00 0.00 C ATOM 1158 CE1 TYR A 81 -0.877 4.249 -2.318 1.00 0.00 C ATOM 1159 CE2 TYR A 81 0.055 3.174 -0.338 1.00 0.00 C ATOM 1160 CZ TYR A 81 0.236 3.900 -1.535 1.00 0.00 C ATOM 1161 OH TYR A 81 1.476 4.260 -1.950 1.00 0.00 O ATOM 0 H TYR A 81 -3.667 6.057 -0.580 1.00 0.00 H new ATOM 0 HA TYR A 81 -5.203 4.217 1.031 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.741 2.328 0.668 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.417 2.798 -0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -3.029 4.193 -2.477 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.378 2.328 1.039 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.738 4.761 -3.259 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.914 2.853 0.232 1.00 0.00 H new ATOM 0 HH TYR A 81 2.061 4.376 -1.172 1.00 0.00 H new ATOM 1171 N TYR A 82 -3.196 4.248 2.704 1.00 0.00 N ATOM 1172 CA TYR A 82 -2.364 4.610 3.839 1.00 0.00 C ATOM 1173 C TYR A 82 -2.242 3.450 4.847 1.00 0.00 C ATOM 1174 O TYR A 82 -2.909 2.423 4.725 1.00 0.00 O ATOM 1175 CB TYR A 82 -3.001 5.842 4.511 1.00 0.00 C ATOM 1176 CG TYR A 82 -4.392 5.607 5.071 1.00 0.00 C ATOM 1177 CD1 TYR A 82 -5.565 5.770 4.294 1.00 0.00 C ATOM 1178 CD2 TYR A 82 -4.490 5.180 6.400 1.00 0.00 C ATOM 1179 CE1 TYR A 82 -6.828 5.491 4.858 1.00 0.00 C ATOM 1180 CE2 TYR A 82 -5.736 4.918 6.967 1.00 0.00 C ATOM 1181 CZ TYR A 82 -6.908 5.060 6.201 1.00 0.00 C ATOM 1182 OH TYR A 82 -8.095 4.731 6.768 1.00 0.00 O ATOM 0 H TYR A 82 -3.716 3.383 2.852 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.354 4.835 3.495 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.350 6.176 5.319 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -3.048 6.652 3.784 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.493 6.108 3.271 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.594 5.053 6.990 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.725 5.606 4.268 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -5.802 4.605 7.998 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.959 4.529 7.717 1.00 0.00 H new ATOM 1192 N CYS A 83 -1.383 3.624 5.847 1.00 0.00 N ATOM 1193 CA CYS A 83 -1.174 2.659 6.929 1.00 0.00 C ATOM 1194 C CYS A 83 -1.839 3.222 8.193 1.00 0.00 C ATOM 1195 O CYS A 83 -1.377 4.242 8.708 1.00 0.00 O ATOM 1196 CB CYS A 83 0.323 2.439 7.132 1.00 0.00 C ATOM 1197 SG CYS A 83 0.801 1.487 8.591 1.00 0.00 S ATOM 0 H CYS A 83 -0.799 4.456 5.932 1.00 0.00 H new ATOM 0 HA CYS A 83 -1.618 1.692 6.690 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.717 1.935 6.250 1.00 0.00 H new ATOM 0 HB3 CYS A 83 0.808 3.414 7.185 1.00 0.00 H new ATOM 0 HG CYS A 83 2.067 1.197 8.525 1.00 0.00 H new ATOM 1202 N GLU A 84 -2.889 2.583 8.727 1.00 0.00 N ATOM 1203 CA GLU A 84 -3.623 3.076 9.913 1.00 0.00 C ATOM 1204 C GLU A 84 -2.748 3.654 11.058 1.00 0.00 C ATOM 1205 O GLU A 84 -2.867 4.851 11.342 1.00 0.00 O ATOM 1206 CB GLU A 84 -4.593 2.000 10.466 1.00 0.00 C ATOM 1207 CG GLU A 84 -5.935 1.827 9.738 1.00 0.00 C ATOM 1208 CD GLU A 84 -6.870 3.044 9.816 1.00 0.00 C ATOM 1209 OE1 GLU A 84 -6.789 3.837 10.779 1.00 0.00 O ATOM 1210 OE2 GLU A 84 -7.637 3.271 8.846 1.00 0.00 O ATOM 0 H GLU A 84 -3.258 1.709 8.353 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.187 3.927 9.533 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.076 1.041 10.455 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.802 2.237 11.509 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.738 1.604 8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.451 0.962 10.156 1.00 0.00 H new ATOM 1217 N PRO A 85 -1.843 2.869 11.688 1.00 0.00 N ATOM 1218 CA PRO A 85 -1.010 3.320 12.806 1.00 0.00 C ATOM 1219 C PRO A 85 0.096 4.308 12.430 1.00 0.00 C ATOM 1220 O PRO A 85 0.862 4.721 13.301 1.00 0.00 O ATOM 1221 CB PRO A 85 -0.432 2.040 13.413 1.00 0.00 C ATOM 1222 CG PRO A 85 -0.287 1.129 12.200 1.00 0.00 C ATOM 1223 CD PRO A 85 -1.552 1.465 11.415 1.00 0.00 C ATOM 0 HA PRO A 85 -1.619 3.891 13.507 1.00 0.00 H new ATOM 0 HB2 PRO A 85 0.526 2.220 13.901 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -1.096 1.612 14.164 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.618 1.344 11.631 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.245 0.076 12.480 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.403 1.299 10.348 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.382 0.829 11.724 1.00 0.00 H new ATOM 1231 N HIS A 86 0.239 4.672 11.153 1.00 0.00 N ATOM 1232 CA HIS A 86 1.295 5.578 10.694 1.00 0.00 C ATOM 1233 C HIS A 86 0.790 6.751 9.824 1.00 0.00 C ATOM 1234 O HIS A 86 1.582 7.632 9.474 1.00 0.00 O ATOM 1235 CB HIS A 86 2.397 4.749 10.014 1.00 0.00 C ATOM 1236 CG HIS A 86 3.125 3.708 10.840 1.00 0.00 C ATOM 1237 ND1 HIS A 86 3.082 3.515 12.204 1.00 0.00 N ATOM 1238 CD2 HIS A 86 4.004 2.789 10.337 1.00 0.00 C ATOM 1239 CE1 HIS A 86 3.934 2.521 12.511 1.00 0.00 C ATOM 1240 NE2 HIS A 86 4.506 2.048 11.398 1.00 0.00 N ATOM 0 H HIS A 86 -0.375 4.346 10.407 1.00 0.00 H new ATOM 0 HA HIS A 86 1.712 6.080 11.567 1.00 0.00 H new ATOM 0 HB2 HIS A 86 1.952 4.242 9.158 1.00 0.00 H new ATOM 0 HB3 HIS A 86 3.141 5.443 9.622 1.00 0.00 H new ATOM 0 HD1 HIS A 86 2.505 4.035 12.865 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.262 2.662 9.296 1.00 0.00 H new ATOM 0 HE1 HIS A 86 4.128 2.158 13.509 1.00 0.00 H new ATOM 1248 N ARG A 87 -0.518 6.790 9.512 1.00 0.00 N ATOM 1249 CA ARG A 87 -1.233 7.823 8.742 1.00 0.00 C ATOM 1250 C ARG A 87 -0.743 9.235 9.079 1.00 0.00 C ATOM 1251 O ARG A 87 -0.193 9.918 8.219 1.00 0.00 O ATOM 1252 CB ARG A 87 -2.749 7.622 8.983 1.00 0.00 C ATOM 1253 CG ARG A 87 -3.677 8.735 8.445 1.00 0.00 C ATOM 1254 CD ARG A 87 -5.183 8.431 8.617 1.00 0.00 C ATOM 1255 NE ARG A 87 -5.524 8.024 9.998 1.00 0.00 N ATOM 1256 CZ ARG A 87 -6.166 6.914 10.331 1.00 0.00 C ATOM 1257 NH1 ARG A 87 -7.057 6.333 9.567 1.00 0.00 N ATOM 1258 NH2 ARG A 87 -5.837 6.259 11.415 1.00 0.00 N ATOM 0 H ARG A 87 -1.148 6.047 9.813 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.026 7.715 7.677 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.046 6.677 8.527 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.916 7.525 10.056 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.444 9.668 8.957 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.466 8.891 7.387 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.762 9.315 8.349 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.472 7.639 7.926 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.242 8.648 10.754 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.290 6.735 8.659 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.518 5.478 9.880 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.082 6.602 12.009 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.335 5.405 11.666 1.00 0.00 H new ATOM 1272 N GLY A 88 -0.865 9.614 10.353 1.00 0.00 N ATOM 1273 CA GLY A 88 -0.475 10.925 10.899 1.00 0.00 C ATOM 1274 C GLY A 88 1.026 11.248 10.894 1.00 0.00 C ATOM 1275 O GLY A 88 1.401 12.396 11.126 1.00 0.00 O ATOM 0 H GLY A 88 -1.253 8.995 11.064 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.993 11.699 10.332 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.834 10.988 11.926 1.00 0.00 H new ATOM 1279 N ALA A 89 1.858 10.227 10.655 1.00 0.00 N ATOM 1280 CA ALA A 89 3.314 10.264 10.548 1.00 0.00 C ATOM 1281 C ALA A 89 3.775 10.283 9.076 1.00 0.00 C ATOM 1282 O ALA A 89 4.968 10.417 8.809 1.00 0.00 O ATOM 1283 CB ALA A 89 3.910 9.086 11.330 1.00 0.00 C ATOM 0 H ALA A 89 1.498 9.282 10.522 1.00 0.00 H new ATOM 0 HA ALA A 89 3.682 11.191 10.989 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.997 9.110 11.252 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.619 9.161 12.378 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.538 8.149 10.916 1.00 0.00 H new ATOM 1289 N GLY A 90 2.842 10.139 8.119 1.00 0.00 N ATOM 1290 CA GLY A 90 3.141 10.193 6.691 1.00 0.00 C ATOM 1291 C GLY A 90 3.090 8.870 5.936 1.00 0.00 C ATOM 1292 O GLY A 90 3.435 8.871 4.752 1.00 0.00 O ATOM 0 H GLY A 90 1.855 9.981 8.323 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.439 10.882 6.221 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.137 10.619 6.567 1.00 0.00 H new ATOM 1296 N MET A 91 2.669 7.756 6.554 1.00 0.00 N ATOM 1297 CA MET A 91 2.581 6.494 5.805 1.00 0.00 C ATOM 1298 C MET A 91 1.277 6.441 4.990 1.00 0.00 C ATOM 1299 O MET A 91 0.396 5.613 5.201 1.00 0.00 O ATOM 1300 CB MET A 91 2.760 5.290 6.723 1.00 0.00 C ATOM 1301 CG MET A 91 3.121 4.057 5.873 1.00 0.00 C ATOM 1302 SD MET A 91 3.913 2.702 6.769 1.00 0.00 S ATOM 1303 CE MET A 91 4.364 1.617 5.395 1.00 0.00 C ATOM 0 H MET A 91 2.393 7.701 7.534 1.00 0.00 H new ATOM 0 HA MET A 91 3.403 6.452 5.091 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.546 5.487 7.452 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.844 5.105 7.284 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.211 3.679 5.407 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.784 4.374 5.067 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.072 0.865 5.743 1.00 0.00 H new ATOM 0 HE2 MET A 91 3.470 1.124 5.012 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.822 2.207 4.601 1.00 0.00 H new ATOM 1313 N VAL A 92 1.139 7.372 4.051 1.00 0.00 N ATOM 1314 CA VAL A 92 0.027 7.639 3.141 1.00 0.00 C ATOM 1315 C VAL A 92 0.580 7.816 1.723 1.00 0.00 C ATOM 1316 O VAL A 92 1.714 8.267 1.542 1.00 0.00 O ATOM 1317 CB VAL A 92 -0.770 8.849 3.677 1.00 0.00 C ATOM 1318 CG1 VAL A 92 0.068 10.125 3.840 1.00 0.00 C ATOM 1319 CG2 VAL A 92 -1.982 9.213 2.799 1.00 0.00 C ATOM 0 H VAL A 92 1.895 8.038 3.890 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.676 6.808 3.090 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.102 8.506 4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.563 10.928 4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.881 9.939 4.542 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.481 10.415 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.499 10.070 3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.641 9.462 1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.664 8.364 2.751 1.00 0.00 H new ATOM 1329 N GLY A 93 -0.222 7.442 0.714 1.00 0.00 N ATOM 1330 CA GLY A 93 0.163 7.495 -0.705 1.00 0.00 C ATOM 1331 C GLY A 93 -1.005 7.480 -1.699 1.00 0.00 C ATOM 1332 O GLY A 93 -2.170 7.409 -1.295 1.00 0.00 O ATOM 0 H GLY A 93 -1.168 7.090 0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.750 8.398 -0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.814 6.647 -0.920 1.00 0.00 H new ATOM 1336 N LYS A 94 -0.677 7.494 -3.010 1.00 0.00 N ATOM 1337 CA LYS A 94 -1.648 7.440 -4.121 1.00 0.00 C ATOM 1338 C LYS A 94 -1.162 6.651 -5.351 1.00 0.00 C ATOM 1339 O LYS A 94 -0.121 6.946 -5.929 1.00 0.00 O ATOM 1340 CB LYS A 94 -2.083 8.863 -4.520 1.00 0.00 C ATOM 1341 CG LYS A 94 -3.558 8.834 -4.939 1.00 0.00 C ATOM 1342 CD LYS A 94 -4.080 10.204 -5.412 1.00 0.00 C ATOM 1343 CE LYS A 94 -5.574 10.410 -5.105 1.00 0.00 C ATOM 1344 NZ LYS A 94 -6.389 9.207 -5.384 1.00 0.00 N ATOM 0 H LYS A 94 0.290 7.544 -3.330 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.506 6.884 -3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.942 9.548 -3.684 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.466 9.230 -5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.687 8.106 -5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.162 8.493 -4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.503 10.994 -4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.918 10.299 -6.486 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.690 10.686 -4.057 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.950 11.244 -5.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.120 9.438 -6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.778 8.452 -5.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.843 8.884 -4.506 1.00 0.00 H new ATOM 1358 N VAL A 95 -1.940 5.652 -5.760 1.00 0.00 N ATOM 1359 CA VAL A 95 -1.761 4.729 -6.887 1.00 0.00 C ATOM 1360 C VAL A 95 -2.529 5.247 -8.080 1.00 0.00 C ATOM 1361 O VAL A 95 -3.553 5.902 -7.889 1.00 0.00 O ATOM 1362 CB VAL A 95 -2.349 3.351 -6.540 1.00 0.00 C ATOM 1363 CG1 VAL A 95 -2.004 2.269 -7.574 1.00 0.00 C ATOM 1364 CG2 VAL A 95 -1.803 2.856 -5.195 1.00 0.00 C ATOM 0 H VAL A 95 -2.804 5.444 -5.259 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.695 4.649 -7.101 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.429 3.498 -6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.448 1.321 -7.271 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.397 2.559 -8.549 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.921 2.158 -7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.230 1.880 -4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.718 2.773 -5.251 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.073 3.563 -4.410 1.00 0.00 H new ATOM 1374 N VAL A 96 -2.102 4.900 -9.294 1.00 0.00 N ATOM 1375 CA VAL A 96 -2.780 5.283 -10.529 1.00 0.00 C ATOM 1376 C VAL A 96 -2.961 4.031 -11.392 1.00 0.00 C ATOM 1377 O VAL A 96 -2.004 3.258 -11.500 1.00 0.00 O ATOM 1378 CB VAL A 96 -1.951 6.365 -11.237 1.00 0.00 C ATOM 1379 CG1 VAL A 96 -2.693 6.887 -12.469 1.00 0.00 C ATOM 1380 CG2 VAL A 96 -1.517 7.566 -10.375 1.00 0.00 C ATOM 0 H VAL A 96 -1.265 4.338 -9.448 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.767 5.701 -10.330 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.029 5.848 -11.504 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.091 7.653 -12.959 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.869 6.065 -13.163 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.648 7.315 -12.164 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.939 8.261 -10.984 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.400 8.073 -9.986 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.904 7.215 -9.544 1.00 0.00 H new ATOM 1390 N VAL A 97 -4.155 3.804 -11.982 1.00 0.00 N ATOM 1391 CA VAL A 97 -4.417 2.584 -12.787 1.00 0.00 C ATOM 1392 C VAL A 97 -4.989 2.734 -14.223 1.00 0.00 C ATOM 1393 O VAL A 97 -6.010 2.167 -14.619 1.00 0.00 O ATOM 1394 CB VAL A 97 -5.236 1.583 -11.947 1.00 0.00 C ATOM 1395 CG1 VAL A 97 -4.735 1.472 -10.498 1.00 0.00 C ATOM 1396 CG2 VAL A 97 -6.745 1.812 -11.834 1.00 0.00 C ATOM 0 H VAL A 97 -4.948 4.442 -11.919 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.417 2.212 -13.011 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.075 0.679 -12.534 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.349 0.754 -9.955 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.698 1.137 -10.496 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.803 2.446 -10.014 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.186 1.031 -11.214 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.932 2.785 -11.380 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.193 1.783 -12.827 1.00 0.00 H new ATOM 1406 N GLU A 98 -4.195 3.339 -15.106 1.00 0.00 N ATOM 1407 CA GLU A 98 -4.410 3.596 -16.530 1.00 0.00 C ATOM 1408 C GLU A 98 -3.161 4.074 -17.303 1.00 0.00 C ATOM 1409 O GLU A 98 -2.230 4.602 -16.652 1.00 0.00 O ATOM 1410 CB GLU A 98 -5.592 4.557 -16.756 1.00 0.00 C ATOM 1411 CG GLU A 98 -5.369 6.050 -16.435 1.00 0.00 C ATOM 1412 CD GLU A 98 -5.326 6.432 -14.943 1.00 0.00 C ATOM 1413 OE1 GLU A 98 -5.816 5.656 -14.094 1.00 0.00 O ATOM 1414 OE2 GLU A 98 -4.915 7.579 -14.658 1.00 0.00 O ATOM 1415 OXT GLU A 98 -3.152 3.865 -18.539 1.00 0.00 O ATOM 0 H GLU A 98 -3.288 3.700 -14.809 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.652 2.620 -16.950 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.894 4.479 -17.801 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.431 4.206 -16.155 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.431 6.362 -16.894 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.164 6.624 -16.912 1.00 0.00 H new TER 1422 GLU A 98