USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 724 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 59 MET CE :methyl -157:sc= 0 (180deg=0) USER MOD Set 1.2: A 90 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 51 THR OG1 : rot 76:sc= 0.197 USER MOD Set 2.2: A 97 MET CE :methyl 163:sc= -0.181 (180deg=-0.969) USER MOD Set 3.1: A 19 ASN : amide:sc= -4.34 K(o=-4.2,f=-9.4!) USER MOD Set 3.2: A 28 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 141:sc= -0.0526 (180deg=-0.347) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 170:sc= 0.176 USER MOD Single : A 32 THR OG1 : rot 81:sc= 0.0392 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -3.21 K(o=-3.2,f=-1.1) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.229 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.238) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -1.03 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 154:sc= -0.181 (180deg=-0.695) USER MOD Single : A 87 HIS : no HE2:sc= 0.0657 X(o=0.066,f=-0.29) USER MOD Single : A 88 MET CE :methyl -165:sc= -0.0497 (180deg=-0.372) USER MOD Single : A 92 ASN : amide:sc= -0.447 X(o=-0.45,f=-0.53) USER MOD Single : A 93 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.7!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.0132 K(o=-0.013,f=-1.2) USER MOD Single : A 101 LYS NZ :NH3+ 158:sc= -0.278 (180deg=-1.12) USER MOD Single : A 102 MET CE :methyl 174:sc= -1.4 (180deg=-1.46) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.18) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= -0.994 USER MOD Single : A 112 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0358) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 -7.254 7.539 5.324 1.00 0.00 N ATOM 47 CA SER A 4 -7.039 6.752 6.534 1.00 0.00 C ATOM 48 C SER A 4 -8.002 5.571 6.594 1.00 0.00 C ATOM 49 O SER A 4 -8.933 5.473 5.796 1.00 0.00 O ATOM 50 CB SER A 4 -7.208 7.629 7.776 1.00 0.00 C ATOM 51 OG SER A 4 -8.576 7.782 8.112 1.00 0.00 O ATOM 0 HA SER A 4 -6.020 6.365 6.509 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.672 7.184 8.614 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.763 8.608 7.597 1.00 0.00 H new ATOM 0 HG SER A 4 -8.656 8.345 8.910 1.00 0.00 H new ATOM 57 N GLY A 5 -7.766 4.677 7.545 1.00 0.00 N ATOM 58 CA GLY A 5 -8.610 3.508 7.698 1.00 0.00 C ATOM 59 C GLY A 5 -7.839 2.314 8.218 1.00 0.00 C ATOM 60 O GLY A 5 -6.678 2.116 7.859 1.00 0.00 O ATOM 0 H GLY A 5 -7.001 4.741 8.217 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.427 3.738 8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.060 3.258 6.737 1.00 0.00 H new ATOM 64 N ALA A 6 -8.474 1.520 9.071 1.00 0.00 N ATOM 65 CA ALA A 6 -7.824 0.349 9.639 1.00 0.00 C ATOM 66 C ALA A 6 -7.490 -0.676 8.566 1.00 0.00 C ATOM 67 O ALA A 6 -8.285 -0.927 7.659 1.00 0.00 O ATOM 68 CB ALA A 6 -8.689 -0.283 10.713 1.00 0.00 C ATOM 0 H ALA A 6 -9.434 1.666 9.383 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.891 0.683 10.093 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.181 -1.156 11.122 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.866 0.440 11.509 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.642 -0.587 10.280 1.00 0.00 H new ATOM 74 N ALA A 7 -6.308 -1.265 8.678 1.00 0.00 N ATOM 75 CA ALA A 7 -5.861 -2.268 7.721 1.00 0.00 C ATOM 76 C ALA A 7 -4.823 -3.207 8.331 1.00 0.00 C ATOM 77 O ALA A 7 -4.020 -2.799 9.170 1.00 0.00 O ATOM 78 CB ALA A 7 -5.291 -1.589 6.486 1.00 0.00 C ATOM 0 H ALA A 7 -5.640 -1.066 9.423 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.725 -2.869 7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.959 -2.346 5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.060 -0.970 6.024 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.445 -0.964 6.772 1.00 0.00 H new ATOM 84 N ILE A 8 -4.837 -4.468 7.899 1.00 0.00 N ATOM 85 CA ILE A 8 -3.894 -5.460 8.399 1.00 0.00 C ATOM 86 C ILE A 8 -2.702 -5.605 7.466 1.00 0.00 C ATOM 87 O ILE A 8 -2.842 -5.557 6.244 1.00 0.00 O ATOM 88 CB ILE A 8 -4.546 -6.845 8.535 1.00 0.00 C ATOM 89 CG1 ILE A 8 -5.837 -6.757 9.329 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.593 -7.842 9.184 1.00 0.00 C ATOM 91 CD1 ILE A 8 -6.693 -7.980 9.149 1.00 0.00 C ATOM 0 H ILE A 8 -5.493 -4.824 7.203 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.570 -5.104 9.377 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.778 -7.201 7.531 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.604 -6.630 10.386 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.395 -5.874 9.017 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.083 -8.812 9.267 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.696 -7.939 8.572 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.318 -7.489 10.178 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.606 -7.874 9.735 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.949 -8.093 8.095 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.146 -8.860 9.486 1.00 0.00 H new ATOM 103 N PHE A 9 -1.536 -5.809 8.056 1.00 0.00 N ATOM 104 CA PHE A 9 -0.316 -5.995 7.291 1.00 0.00 C ATOM 105 C PHE A 9 0.587 -7.003 7.990 1.00 0.00 C ATOM 106 O PHE A 9 1.191 -6.701 9.018 1.00 0.00 O ATOM 107 CB PHE A 9 0.407 -4.663 7.100 1.00 0.00 C ATOM 108 CG PHE A 9 1.678 -4.780 6.310 1.00 0.00 C ATOM 109 CD1 PHE A 9 1.669 -5.317 5.034 1.00 0.00 C ATOM 110 CD2 PHE A 9 2.880 -4.352 6.845 1.00 0.00 C ATOM 111 CE1 PHE A 9 2.838 -5.425 4.304 1.00 0.00 C ATOM 112 CE2 PHE A 9 4.054 -4.457 6.122 1.00 0.00 C ATOM 113 CZ PHE A 9 4.032 -4.995 4.850 1.00 0.00 C ATOM 0 H PHE A 9 -1.409 -5.850 9.067 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.575 -6.382 6.306 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.262 -3.965 6.597 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.634 -4.238 8.078 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.738 -5.655 4.604 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.902 -3.931 7.839 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.818 -5.845 3.309 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.986 -4.119 6.551 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.947 -5.079 4.283 1.00 0.00 H new ATOM 123 N GLU A 10 0.661 -8.207 7.426 1.00 0.00 N ATOM 124 CA GLU A 10 1.474 -9.281 7.983 1.00 0.00 C ATOM 125 C GLU A 10 0.782 -9.939 9.177 1.00 0.00 C ATOM 126 O GLU A 10 1.388 -10.130 10.231 1.00 0.00 O ATOM 127 CB GLU A 10 2.853 -8.763 8.392 1.00 0.00 C ATOM 128 CG GLU A 10 3.552 -7.963 7.305 1.00 0.00 C ATOM 129 CD GLU A 10 4.957 -7.546 7.696 1.00 0.00 C ATOM 130 OE1 GLU A 10 5.306 -7.677 8.889 1.00 0.00 O ATOM 131 OE2 GLU A 10 5.708 -7.088 6.810 1.00 0.00 O ATOM 0 H GLU A 10 0.161 -8.463 6.574 1.00 0.00 H new ATOM 0 HA GLU A 10 1.600 -10.034 7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.748 -8.139 9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.482 -9.609 8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.595 -8.558 6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.963 -7.074 7.079 1.00 0.00 H new ATOM 138 N LYS A 11 -0.487 -10.311 8.993 1.00 0.00 N ATOM 139 CA LYS A 11 -1.259 -10.971 10.031 1.00 0.00 C ATOM 140 C LYS A 11 -1.441 -10.105 11.276 1.00 0.00 C ATOM 141 O LYS A 11 -1.892 -10.592 12.313 1.00 0.00 O ATOM 142 CB LYS A 11 -0.585 -12.286 10.385 1.00 0.00 C ATOM 143 CG LYS A 11 -0.950 -13.413 9.438 1.00 0.00 C ATOM 144 CD LYS A 11 -0.020 -14.604 9.601 1.00 0.00 C ATOM 145 CE LYS A 11 -0.363 -15.716 8.623 1.00 0.00 C ATOM 146 NZ LYS A 11 -0.353 -15.239 7.213 1.00 0.00 N ATOM 0 H LYS A 11 -0.999 -10.161 8.124 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.260 -11.153 9.641 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.496 -12.148 10.377 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.862 -12.568 11.401 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.978 -13.725 9.622 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.905 -13.054 8.410 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.011 -14.286 9.445 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.086 -14.982 10.621 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.352 -16.531 8.735 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.347 -16.119 8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.060 -15.972 6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.327 -15.041 6.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.215 -14.371 7.144 1.00 0.00 H new ATOM 160 N VAL A 12 -1.127 -8.818 11.168 1.00 0.00 N ATOM 161 CA VAL A 12 -1.297 -7.906 12.276 1.00 0.00 C ATOM 162 C VAL A 12 -2.189 -6.756 11.838 1.00 0.00 C ATOM 163 O VAL A 12 -2.063 -6.262 10.719 1.00 0.00 O ATOM 164 CB VAL A 12 0.051 -7.365 12.792 1.00 0.00 C ATOM 165 CG1 VAL A 12 -0.160 -6.383 13.936 1.00 0.00 C ATOM 166 CG2 VAL A 12 0.951 -8.512 13.227 1.00 0.00 C ATOM 0 H VAL A 12 -0.754 -8.390 10.321 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.760 -8.451 13.099 1.00 0.00 H new ATOM 0 HB VAL A 12 0.540 -6.832 11.977 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.806 -6.015 14.283 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.764 -5.545 13.589 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.673 -6.885 14.756 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.899 -8.114 13.589 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.465 -9.073 14.025 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.135 -9.172 12.379 1.00 0.00 H new ATOM 176 N SER A 13 -3.113 -6.354 12.697 1.00 0.00 N ATOM 177 CA SER A 13 -4.037 -5.282 12.356 1.00 0.00 C ATOM 178 C SER A 13 -3.637 -3.965 12.999 1.00 0.00 C ATOM 179 O SER A 13 -3.143 -3.925 14.126 1.00 0.00 O ATOM 180 CB SER A 13 -5.461 -5.655 12.769 1.00 0.00 C ATOM 181 OG SER A 13 -6.399 -4.714 12.277 1.00 0.00 O ATOM 0 H SER A 13 -3.243 -6.750 13.628 1.00 0.00 H new ATOM 0 HA SER A 13 -3.998 -5.150 11.275 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.704 -6.648 12.390 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.526 -5.704 13.856 1.00 0.00 H new ATOM 0 HG SER A 13 -7.302 -4.977 12.554 1.00 0.00 H new ATOM 187 N GLY A 14 -3.864 -2.889 12.261 1.00 0.00 N ATOM 188 CA GLY A 14 -3.541 -1.563 12.739 1.00 0.00 C ATOM 189 C GLY A 14 -4.217 -0.498 11.904 1.00 0.00 C ATOM 190 O GLY A 14 -4.937 -0.814 10.956 1.00 0.00 O ATOM 0 H GLY A 14 -4.272 -2.914 11.327 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.851 -1.464 13.779 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.461 -1.418 12.713 1.00 0.00 H new ATOM 194 N ILE A 15 -3.995 0.762 12.245 1.00 0.00 N ATOM 195 CA ILE A 15 -4.601 1.858 11.506 1.00 0.00 C ATOM 196 C ILE A 15 -3.685 2.339 10.387 1.00 0.00 C ATOM 197 O ILE A 15 -2.511 2.638 10.607 1.00 0.00 O ATOM 198 CB ILE A 15 -4.965 3.030 12.436 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.034 2.565 13.440 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.440 4.235 11.629 1.00 0.00 C ATOM 201 CD1 ILE A 15 -7.329 3.352 13.392 1.00 0.00 C ATOM 0 H ILE A 15 -3.403 1.050 13.024 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.521 1.478 11.061 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.080 3.345 12.988 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.256 1.514 13.254 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.621 2.631 14.447 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.692 5.051 12.307 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.647 4.556 10.954 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.321 3.960 11.049 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.023 2.955 14.133 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.126 4.401 13.610 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.770 3.267 12.399 1.00 0.00 H new ATOM 213 N ILE A 16 -4.238 2.398 9.182 1.00 0.00 N ATOM 214 CA ILE A 16 -3.496 2.826 8.012 1.00 0.00 C ATOM 215 C ILE A 16 -3.842 4.271 7.657 1.00 0.00 C ATOM 216 O ILE A 16 -4.990 4.586 7.345 1.00 0.00 O ATOM 217 CB ILE A 16 -3.798 1.888 6.812 1.00 0.00 C ATOM 218 CG1 ILE A 16 -2.640 0.912 6.601 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.078 2.680 5.535 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.753 0.080 5.339 1.00 0.00 C ATOM 0 H ILE A 16 -5.209 2.151 8.993 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.431 2.773 8.238 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.699 1.321 7.047 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.707 1.474 6.570 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.582 0.243 7.460 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.285 1.990 4.717 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.941 3.328 5.690 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.208 3.288 5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.893 -0.586 5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.668 -0.511 5.374 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.779 0.738 4.470 1.00 0.00 H new ATOM 232 N ALA A 17 -2.842 5.143 7.709 1.00 0.00 N ATOM 233 CA ALA A 17 -3.042 6.550 7.393 1.00 0.00 C ATOM 234 C ALA A 17 -2.354 6.916 6.084 1.00 0.00 C ATOM 235 O ALA A 17 -1.268 6.421 5.784 1.00 0.00 O ATOM 236 CB ALA A 17 -2.528 7.427 8.524 1.00 0.00 C ATOM 0 H ALA A 17 -1.886 4.900 7.967 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.112 6.723 7.276 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.685 8.476 8.272 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.066 7.190 9.442 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.463 7.245 8.671 1.00 0.00 H new ATOM 242 N ILE A 18 -2.992 7.782 5.309 1.00 0.00 N ATOM 243 CA ILE A 18 -2.443 8.212 4.035 1.00 0.00 C ATOM 244 C ILE A 18 -1.935 9.649 4.125 1.00 0.00 C ATOM 245 O ILE A 18 -2.707 10.577 4.364 1.00 0.00 O ATOM 246 CB ILE A 18 -3.504 8.085 2.916 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.338 6.756 2.181 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.425 9.250 1.939 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.529 6.387 1.323 1.00 0.00 C ATOM 0 H ILE A 18 -3.892 8.200 5.543 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.602 7.564 3.790 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.489 8.111 3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.449 6.806 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.167 5.965 2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.184 9.129 1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.597 10.185 2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.438 9.272 1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.341 5.433 0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.417 6.304 1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.687 7.158 0.569 1.00 0.00 H new ATOM 261 N ASN A 19 -0.632 9.825 3.932 1.00 0.00 N ATOM 262 CA ASN A 19 -0.025 11.147 3.991 1.00 0.00 C ATOM 263 C ASN A 19 0.430 11.600 2.610 1.00 0.00 C ATOM 264 O ASN A 19 1.395 11.074 2.058 1.00 0.00 O ATOM 265 CB ASN A 19 1.159 11.149 4.960 1.00 0.00 C ATOM 266 CG ASN A 19 2.212 10.122 4.589 1.00 0.00 C ATOM 267 OD1 ASN A 19 3.072 10.375 3.747 1.00 0.00 O ATOM 268 ND2 ASN A 19 2.148 8.956 5.221 1.00 0.00 N ATOM 0 H ASN A 19 0.023 9.068 3.734 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.778 11.847 4.352 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.612 12.140 4.974 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.799 10.948 5.969 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.830 8.226 5.015 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.417 8.790 5.913 1.00 0.00 H new ATOM 275 N GLU A 20 -0.269 12.587 2.062 1.00 0.00 N ATOM 276 CA GLU A 20 0.064 13.124 0.748 1.00 0.00 C ATOM 277 C GLU A 20 0.662 14.524 0.868 1.00 0.00 C ATOM 278 O GLU A 20 1.043 15.133 -0.131 1.00 0.00 O ATOM 279 CB GLU A 20 -1.179 13.161 -0.147 1.00 0.00 C ATOM 280 CG GLU A 20 -2.453 13.548 0.588 1.00 0.00 C ATOM 281 CD GLU A 20 -3.650 13.661 -0.337 1.00 0.00 C ATOM 282 OE1 GLU A 20 -3.449 13.676 -1.569 1.00 0.00 O ATOM 283 OE2 GLU A 20 -4.787 13.735 0.172 1.00 0.00 O ATOM 0 H GLU A 20 -1.071 13.032 2.508 1.00 0.00 H new ATOM 0 HA GLU A 20 0.807 12.468 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.010 13.868 -0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.317 12.180 -0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.663 12.806 1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.300 14.500 1.096 1.00 0.00 H new ATOM 290 N ASP A 21 0.742 15.028 2.097 1.00 0.00 N ATOM 291 CA ASP A 21 1.294 16.350 2.346 1.00 0.00 C ATOM 292 C ASP A 21 2.781 16.399 2.017 1.00 0.00 C ATOM 293 O ASP A 21 3.345 17.475 1.818 1.00 0.00 O ATOM 294 CB ASP A 21 1.072 16.750 3.805 1.00 0.00 C ATOM 295 CG ASP A 21 -0.396 16.921 4.143 1.00 0.00 C ATOM 296 OD1 ASP A 21 -1.210 17.048 3.204 1.00 0.00 O ATOM 297 OD2 ASP A 21 -0.730 16.929 5.346 1.00 0.00 O ATOM 0 H ASP A 21 0.430 14.537 2.935 1.00 0.00 H new ATOM 0 HA ASP A 21 0.777 17.056 1.696 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.506 15.991 4.456 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.599 17.682 4.007 1.00 0.00 H new ATOM 302 N VAL A 22 3.415 15.232 1.961 1.00 0.00 N ATOM 303 CA VAL A 22 4.830 15.160 1.656 1.00 0.00 C ATOM 304 C VAL A 22 5.053 14.929 0.165 1.00 0.00 C ATOM 305 O VAL A 22 4.155 15.154 -0.648 1.00 0.00 O ATOM 306 CB VAL A 22 5.529 14.055 2.490 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.465 12.701 1.795 1.00 0.00 C ATOM 308 CG2 VAL A 22 6.967 14.444 2.802 1.00 0.00 C ATOM 0 H VAL A 22 2.969 14.329 2.123 1.00 0.00 H new ATOM 0 HA VAL A 22 5.276 16.117 1.926 1.00 0.00 H new ATOM 0 HB VAL A 22 4.989 13.960 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.965 11.953 2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.423 12.415 1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.961 12.765 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.439 13.655 3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.517 14.583 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.977 15.374 3.371 1.00 0.00 H new ATOM 318 N SER A 23 6.248 14.484 -0.187 1.00 0.00 N ATOM 319 CA SER A 23 6.584 14.225 -1.580 1.00 0.00 C ATOM 320 C SER A 23 7.864 13.396 -1.688 1.00 0.00 C ATOM 321 O SER A 23 8.946 13.872 -1.344 1.00 0.00 O ATOM 322 CB SER A 23 6.751 15.542 -2.339 1.00 0.00 C ATOM 323 OG SER A 23 7.130 16.590 -1.465 1.00 0.00 O ATOM 0 H SER A 23 7.003 14.294 0.472 1.00 0.00 H new ATOM 0 HA SER A 23 5.767 13.658 -2.025 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.504 15.423 -3.118 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.816 15.800 -2.837 1.00 0.00 H new ATOM 0 HG SER A 23 7.232 17.421 -1.975 1.00 0.00 H new ATOM 329 N PRO A 24 7.763 12.140 -2.166 1.00 0.00 N ATOM 330 CA PRO A 24 6.498 11.527 -2.587 1.00 0.00 C ATOM 331 C PRO A 24 5.615 11.144 -1.403 1.00 0.00 C ATOM 332 O PRO A 24 6.113 10.832 -0.321 1.00 0.00 O ATOM 333 CB PRO A 24 6.936 10.266 -3.353 1.00 0.00 C ATOM 334 CG PRO A 24 8.424 10.353 -3.471 1.00 0.00 C ATOM 335 CD PRO A 24 8.885 11.215 -2.334 1.00 0.00 C ATOM 0 HA PRO A 24 5.899 12.215 -3.183 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.639 9.363 -2.820 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.468 10.224 -4.337 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.877 9.363 -3.417 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.714 10.785 -4.429 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.070 10.632 -1.431 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.811 11.739 -2.571 1.00 0.00 H new ATOM 343 N ALA A 25 4.302 11.164 -1.616 1.00 0.00 N ATOM 344 CA ALA A 25 3.347 10.810 -0.568 1.00 0.00 C ATOM 345 C ALA A 25 3.665 9.431 0.006 1.00 0.00 C ATOM 346 O ALA A 25 4.497 8.704 -0.536 1.00 0.00 O ATOM 347 CB ALA A 25 1.930 10.837 -1.120 1.00 0.00 C ATOM 0 H ALA A 25 3.874 11.422 -2.505 1.00 0.00 H new ATOM 0 HA ALA A 25 3.427 11.543 0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.227 10.572 -0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.702 11.837 -1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.844 10.121 -1.938 1.00 0.00 H new ATOM 353 N GLU A 26 3.001 9.071 1.102 1.00 0.00 N ATOM 354 CA GLU A 26 3.227 7.774 1.732 1.00 0.00 C ATOM 355 C GLU A 26 2.027 7.343 2.570 1.00 0.00 C ATOM 356 O GLU A 26 1.193 8.165 2.951 1.00 0.00 O ATOM 357 CB GLU A 26 4.480 7.822 2.610 1.00 0.00 C ATOM 358 CG GLU A 26 5.753 8.138 1.838 1.00 0.00 C ATOM 359 CD GLU A 26 6.996 8.052 2.703 1.00 0.00 C ATOM 360 OE1 GLU A 26 6.855 7.982 3.942 1.00 0.00 O ATOM 361 OE2 GLU A 26 8.111 8.054 2.140 1.00 0.00 O ATOM 0 H GLU A 26 2.307 9.655 1.569 1.00 0.00 H new ATOM 0 HA GLU A 26 3.368 7.041 0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.340 8.573 3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.598 6.862 3.112 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.848 7.445 1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.678 9.140 1.415 1.00 0.00 H new ATOM 368 N LEU A 27 1.953 6.047 2.857 1.00 0.00 N ATOM 369 CA LEU A 27 0.863 5.494 3.655 1.00 0.00 C ATOM 370 C LEU A 27 1.410 4.833 4.918 1.00 0.00 C ATOM 371 O LEU A 27 2.129 3.836 4.847 1.00 0.00 O ATOM 372 CB LEU A 27 0.066 4.480 2.834 1.00 0.00 C ATOM 373 CG LEU A 27 -1.191 3.937 3.515 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.176 3.417 2.479 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.828 2.841 4.504 1.00 0.00 C ATOM 0 H LEU A 27 2.638 5.357 2.548 1.00 0.00 H new ATOM 0 HA LEU A 27 0.200 6.309 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.223 4.946 1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.718 3.642 2.589 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.666 4.751 4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.064 3.034 2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.460 4.227 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.711 2.616 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.734 2.466 4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.330 2.026 3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.159 3.244 5.264 1.00 0.00 H new ATOM 387 N THR A 28 1.082 5.407 6.071 1.00 0.00 N ATOM 388 CA THR A 28 1.545 4.909 7.341 1.00 0.00 C ATOM 389 C THR A 28 0.621 3.828 7.898 1.00 0.00 C ATOM 390 O THR A 28 -0.591 3.864 7.693 1.00 0.00 O ATOM 391 CB THR A 28 1.615 6.081 8.308 1.00 0.00 C ATOM 392 OG1 THR A 28 1.514 7.313 7.614 1.00 0.00 O ATOM 393 CG2 THR A 28 2.890 6.116 9.100 1.00 0.00 C ATOM 0 H THR A 28 0.486 6.232 6.140 1.00 0.00 H new ATOM 0 HA THR A 28 2.526 4.454 7.208 1.00 0.00 H new ATOM 0 HB THR A 28 0.778 5.942 8.992 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.560 8.054 8.254 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.878 6.975 9.771 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.981 5.200 9.684 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.738 6.198 8.420 1.00 0.00 H new ATOM 401 N TRP A 29 1.210 2.875 8.614 1.00 0.00 N ATOM 402 CA TRP A 29 0.462 1.789 9.220 1.00 0.00 C ATOM 403 C TRP A 29 0.869 1.609 10.676 1.00 0.00 C ATOM 404 O TRP A 29 1.974 1.153 10.968 1.00 0.00 O ATOM 405 CB TRP A 29 0.699 0.477 8.474 1.00 0.00 C ATOM 406 CG TRP A 29 -0.047 -0.669 9.081 1.00 0.00 C ATOM 407 CD1 TRP A 29 -1.382 -0.709 9.345 1.00 0.00 C ATOM 408 CD2 TRP A 29 0.488 -1.925 9.519 1.00 0.00 C ATOM 409 NE1 TRP A 29 -1.719 -1.919 9.903 1.00 0.00 N ATOM 410 CE2 TRP A 29 -0.588 -2.679 10.020 1.00 0.00 C ATOM 411 CE3 TRP A 29 1.767 -2.489 9.532 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -0.427 -3.962 10.525 1.00 0.00 C ATOM 413 CZ3 TRP A 29 1.926 -3.770 10.037 1.00 0.00 C ATOM 414 CH2 TRP A 29 0.830 -4.494 10.526 1.00 0.00 C ATOM 0 H TRP A 29 2.214 2.837 8.787 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.596 2.047 9.163 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.395 0.594 7.434 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.765 0.252 8.471 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.076 0.094 9.145 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.658 -2.203 10.184 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.615 -1.937 9.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.269 -4.521 10.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.909 -4.217 10.054 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.983 -5.491 10.911 1.00 0.00 H new ATOM 425 N ARG A 30 -0.029 1.953 11.583 1.00 0.00 N ATOM 426 CA ARG A 30 0.247 1.806 13.006 1.00 0.00 C ATOM 427 C ARG A 30 -0.512 0.606 13.560 1.00 0.00 C ATOM 428 O ARG A 30 -1.722 0.494 13.373 1.00 0.00 O ATOM 429 CB ARG A 30 -0.146 3.075 13.764 1.00 0.00 C ATOM 430 CG ARG A 30 0.766 4.258 13.483 1.00 0.00 C ATOM 431 CD ARG A 30 0.301 5.509 14.213 1.00 0.00 C ATOM 432 NE ARG A 30 -1.033 5.927 13.787 1.00 0.00 N ATOM 433 CZ ARG A 30 -2.164 5.475 14.328 1.00 0.00 C ATOM 434 NH1 ARG A 30 -2.132 4.588 15.317 1.00 0.00 N ATOM 435 NH2 ARG A 30 -3.333 5.912 13.878 1.00 0.00 N ATOM 0 H ARG A 30 -0.950 2.334 11.364 1.00 0.00 H new ATOM 0 HA ARG A 30 1.317 1.644 13.139 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.169 3.344 13.500 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.138 2.867 14.834 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.783 4.015 13.789 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.793 4.451 12.411 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.297 5.322 15.287 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.009 6.318 14.033 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.103 6.606 13.029 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.237 4.248 15.668 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.003 4.248 15.725 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.365 6.593 13.119 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.200 5.567 14.291 1.00 0.00 H new ATOM 449 N SER A 31 0.197 -0.294 14.235 1.00 0.00 N ATOM 450 CA SER A 31 -0.429 -1.480 14.794 1.00 0.00 C ATOM 451 C SER A 31 -1.503 -1.098 15.802 1.00 0.00 C ATOM 452 O SER A 31 -1.524 0.022 16.312 1.00 0.00 O ATOM 453 CB SER A 31 0.618 -2.377 15.454 1.00 0.00 C ATOM 454 OG SER A 31 1.336 -1.676 16.455 1.00 0.00 O ATOM 0 H SER A 31 1.200 -0.222 14.406 1.00 0.00 H new ATOM 0 HA SER A 31 -0.899 -2.031 13.980 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.130 -3.247 15.894 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.311 -2.748 14.699 1.00 0.00 H new ATOM 0 HG SER A 31 1.882 -2.307 16.969 1.00 0.00 H new ATOM 460 N THR A 32 -2.388 -2.040 16.089 1.00 0.00 N ATOM 461 CA THR A 32 -3.459 -1.825 17.035 1.00 0.00 C ATOM 462 C THR A 32 -2.885 -1.490 18.403 1.00 0.00 C ATOM 463 O THR A 32 -3.471 -0.732 19.176 1.00 0.00 O ATOM 464 CB THR A 32 -4.303 -3.093 17.098 1.00 0.00 C ATOM 465 OG1 THR A 32 -5.363 -3.044 16.159 1.00 0.00 O ATOM 466 CG2 THR A 32 -4.899 -3.362 18.452 1.00 0.00 C ATOM 0 H THR A 32 -2.380 -2.971 15.671 1.00 0.00 H new ATOM 0 HA THR A 32 -4.081 -0.987 16.720 1.00 0.00 H new ATOM 0 HB THR A 32 -3.609 -3.901 16.867 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.026 -3.289 15.272 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.485 -4.280 18.416 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.101 -3.470 19.186 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.544 -2.531 18.737 1.00 0.00 H new ATOM 474 N ASP A 33 -1.732 -2.072 18.684 1.00 0.00 N ATOM 475 CA ASP A 33 -1.051 -1.860 19.952 1.00 0.00 C ATOM 476 C ASP A 33 -0.425 -0.475 20.013 1.00 0.00 C ATOM 477 O ASP A 33 -0.335 0.136 21.078 1.00 0.00 O ATOM 478 CB ASP A 33 0.019 -2.930 20.168 1.00 0.00 C ATOM 479 CG ASP A 33 -0.569 -4.321 20.304 1.00 0.00 C ATOM 480 OD1 ASP A 33 -1.787 -4.427 20.557 1.00 0.00 O ATOM 481 OD2 ASP A 33 0.188 -5.303 20.157 1.00 0.00 O ATOM 0 H ASP A 33 -1.244 -2.700 18.046 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.793 -1.935 20.747 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.717 -2.915 19.331 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.591 -2.692 21.065 1.00 0.00 H new ATOM 486 N GLY A 34 0.011 0.009 18.861 1.00 0.00 N ATOM 487 CA GLY A 34 0.635 1.316 18.790 1.00 0.00 C ATOM 488 C GLY A 34 2.103 1.264 19.145 1.00 0.00 C ATOM 489 O GLY A 34 2.681 2.257 19.589 1.00 0.00 O ATOM 0 H GLY A 34 -0.056 -0.481 17.969 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.520 1.718 17.784 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.123 1.999 19.467 1.00 0.00 H new ATOM 493 N ASP A 35 2.708 0.099 18.948 1.00 0.00 N ATOM 494 CA ASP A 35 4.120 -0.091 19.250 1.00 0.00 C ATOM 495 C ASP A 35 4.941 -0.237 17.972 1.00 0.00 C ATOM 496 O ASP A 35 6.153 -0.021 17.974 1.00 0.00 O ATOM 497 CB ASP A 35 4.315 -1.321 20.138 1.00 0.00 C ATOM 498 CG ASP A 35 3.692 -1.149 21.511 1.00 0.00 C ATOM 499 OD1 ASP A 35 3.393 0.005 21.887 1.00 0.00 O ATOM 500 OD2 ASP A 35 3.503 -2.168 22.208 1.00 0.00 O ATOM 0 H ASP A 35 2.241 -0.730 18.580 1.00 0.00 H new ATOM 0 HA ASP A 35 4.469 0.793 19.783 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.877 -2.191 19.650 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.381 -1.521 20.248 1.00 0.00 H new ATOM 505 N LYS A 36 4.274 -0.601 16.883 1.00 0.00 N ATOM 506 CA LYS A 36 4.943 -0.772 15.600 1.00 0.00 C ATOM 507 C LYS A 36 4.269 0.070 14.524 1.00 0.00 C ATOM 508 O LYS A 36 3.057 -0.011 14.324 1.00 0.00 O ATOM 509 CB LYS A 36 4.943 -2.247 15.190 1.00 0.00 C ATOM 510 CG LYS A 36 6.289 -2.927 15.369 1.00 0.00 C ATOM 511 CD LYS A 36 6.277 -4.342 14.817 1.00 0.00 C ATOM 512 CE LYS A 36 7.576 -5.071 15.123 1.00 0.00 C ATOM 513 NZ LYS A 36 7.467 -6.533 14.862 1.00 0.00 N ATOM 0 H LYS A 36 3.271 -0.783 16.863 1.00 0.00 H new ATOM 0 HA LYS A 36 5.974 -0.436 15.707 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.195 -2.779 15.778 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.642 -2.325 14.145 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.061 -2.346 14.865 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.548 -2.951 16.428 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.440 -4.893 15.245 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.121 -4.312 13.739 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.379 -4.653 14.516 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.847 -4.908 16.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.373 -6.994 15.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.718 -6.937 15.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.234 -6.690 13.861 1.00 0.00 H new ATOM 527 N VAL A 37 5.061 0.881 13.834 1.00 0.00 N ATOM 528 CA VAL A 37 4.541 1.741 12.780 1.00 0.00 C ATOM 529 C VAL A 37 5.277 1.508 11.466 1.00 0.00 C ATOM 530 O VAL A 37 6.496 1.663 11.388 1.00 0.00 O ATOM 531 CB VAL A 37 4.653 3.229 13.162 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.946 4.101 12.135 1.00 0.00 C ATOM 533 CG2 VAL A 37 4.085 3.465 14.554 1.00 0.00 C ATOM 0 H VAL A 37 6.066 0.961 13.986 1.00 0.00 H new ATOM 0 HA VAL A 37 3.489 1.484 12.654 1.00 0.00 H new ATOM 0 HB VAL A 37 5.708 3.504 13.172 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.037 5.148 12.423 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.402 3.953 11.156 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.892 3.827 12.089 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.172 4.521 14.808 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.035 3.172 14.573 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.640 2.870 15.279 1.00 0.00 H new ATOM 543 N HIS A 38 4.527 1.135 10.435 1.00 0.00 N ATOM 544 CA HIS A 38 5.106 0.881 9.119 1.00 0.00 C ATOM 545 C HIS A 38 4.720 1.970 8.133 1.00 0.00 C ATOM 546 O HIS A 38 3.602 2.474 8.148 1.00 0.00 O ATOM 547 CB HIS A 38 4.666 -0.473 8.578 1.00 0.00 C ATOM 548 CG HIS A 38 5.274 -0.819 7.253 1.00 0.00 C ATOM 549 ND1 HIS A 38 6.108 -1.902 7.065 1.00 0.00 N ATOM 550 CD2 HIS A 38 5.160 -0.221 6.043 1.00 0.00 C ATOM 551 CE1 HIS A 38 6.479 -1.955 5.798 1.00 0.00 C ATOM 552 NE2 HIS A 38 5.917 -0.947 5.157 1.00 0.00 N ATOM 0 H HIS A 38 3.517 1.002 10.484 1.00 0.00 H new ATOM 0 HA HIS A 38 6.190 0.879 9.238 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.928 -1.246 9.301 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.580 -0.481 8.483 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.581 0.662 5.817 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.131 -2.697 5.361 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.027 -0.741 4.164 1.00 0.00 H new ATOM 561 N THR A 39 5.660 2.321 7.278 1.00 0.00 N ATOM 562 CA THR A 39 5.432 3.351 6.270 1.00 0.00 C ATOM 563 C THR A 39 5.501 2.761 4.866 1.00 0.00 C ATOM 564 O THR A 39 6.426 2.018 4.539 1.00 0.00 O ATOM 565 CB THR A 39 6.456 4.477 6.418 1.00 0.00 C ATOM 566 OG1 THR A 39 6.595 4.853 7.776 1.00 0.00 O ATOM 567 CG2 THR A 39 6.095 5.719 5.632 1.00 0.00 C ATOM 0 H THR A 39 6.593 1.910 7.257 1.00 0.00 H new ATOM 0 HA THR A 39 4.433 3.760 6.423 1.00 0.00 H new ATOM 0 HB THR A 39 7.389 4.074 6.023 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.256 5.573 7.850 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.862 6.479 5.780 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.028 5.472 4.572 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.134 6.101 5.977 1.00 0.00 H new ATOM 575 N VAL A 40 4.513 3.094 4.042 1.00 0.00 N ATOM 576 CA VAL A 40 4.457 2.593 2.674 1.00 0.00 C ATOM 577 C VAL A 40 4.608 3.725 1.665 1.00 0.00 C ATOM 578 O VAL A 40 4.046 4.806 1.840 1.00 0.00 O ATOM 579 CB VAL A 40 3.130 1.858 2.404 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.155 1.184 1.041 1.00 0.00 C ATOM 581 CG2 VAL A 40 2.844 0.846 3.502 1.00 0.00 C ATOM 0 H VAL A 40 3.740 3.709 4.298 1.00 0.00 H new ATOM 0 HA VAL A 40 5.286 1.895 2.558 1.00 0.00 H new ATOM 0 HB VAL A 40 2.326 2.594 2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.208 0.671 0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.304 1.936 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.970 0.461 1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.903 0.338 3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.651 0.114 3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.773 1.360 4.461 1.00 0.00 H new ATOM 591 N VAL A 41 5.364 3.465 0.603 1.00 0.00 N ATOM 592 CA VAL A 41 5.582 4.460 -0.440 1.00 0.00 C ATOM 593 C VAL A 41 4.552 4.307 -1.553 1.00 0.00 C ATOM 594 O VAL A 41 4.408 3.231 -2.134 1.00 0.00 O ATOM 595 CB VAL A 41 6.997 4.349 -1.041 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.260 5.497 -2.003 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.046 4.315 0.062 1.00 0.00 C ATOM 0 H VAL A 41 5.835 2.575 0.442 1.00 0.00 H new ATOM 0 HA VAL A 41 5.476 5.440 0.024 1.00 0.00 H new ATOM 0 HB VAL A 41 7.062 3.415 -1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.264 5.402 -2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.529 5.469 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.176 6.444 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.038 4.236 -0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.984 5.230 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.868 3.455 0.707 1.00 0.00 H new ATOM 607 N LEU A 42 3.829 5.385 -1.837 1.00 0.00 N ATOM 608 CA LEU A 42 2.803 5.367 -2.874 1.00 0.00 C ATOM 609 C LEU A 42 3.383 5.707 -4.247 1.00 0.00 C ATOM 610 O LEU A 42 2.716 5.532 -5.267 1.00 0.00 O ATOM 611 CB LEU A 42 1.685 6.349 -2.521 1.00 0.00 C ATOM 612 CG LEU A 42 1.198 6.282 -1.071 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.010 7.185 -0.868 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.866 4.846 -0.683 1.00 0.00 C ATOM 0 H LEU A 42 3.934 6.282 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 42 2.398 4.356 -2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.034 7.361 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.838 6.164 -3.182 1.00 0.00 H new ATOM 0 HG LEU A 42 2.001 6.635 -0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.341 7.123 0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.262 8.214 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.818 6.865 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.522 4.819 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.082 4.465 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.757 4.226 -0.785 1.00 0.00 H new ATOM 626 N SER A 43 4.621 6.191 -4.273 1.00 0.00 N ATOM 627 CA SER A 43 5.273 6.551 -5.526 1.00 0.00 C ATOM 628 C SER A 43 5.802 5.310 -6.233 1.00 0.00 C ATOM 629 O SER A 43 5.902 5.278 -7.460 1.00 0.00 O ATOM 630 CB SER A 43 6.416 7.533 -5.269 1.00 0.00 C ATOM 631 OG SER A 43 7.496 6.899 -4.607 1.00 0.00 O ATOM 0 H SER A 43 5.192 6.343 -3.441 1.00 0.00 H new ATOM 0 HA SER A 43 4.534 7.029 -6.169 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.760 7.950 -6.215 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.055 8.366 -4.666 1.00 0.00 H new ATOM 0 HG SER A 43 8.214 7.549 -4.456 1.00 0.00 H new ATOM 637 N THR A 44 6.141 4.290 -5.453 1.00 0.00 N ATOM 638 CA THR A 44 6.658 3.049 -6.008 1.00 0.00 C ATOM 639 C THR A 44 5.524 2.144 -6.481 1.00 0.00 C ATOM 640 O THR A 44 5.732 1.250 -7.301 1.00 0.00 O ATOM 641 CB THR A 44 7.514 2.317 -4.973 1.00 0.00 C ATOM 642 OG1 THR A 44 8.135 1.180 -5.547 1.00 0.00 O ATOM 643 CG2 THR A 44 6.729 1.849 -3.766 1.00 0.00 C ATOM 0 H THR A 44 6.067 4.300 -4.436 1.00 0.00 H new ATOM 0 HA THR A 44 7.278 3.300 -6.869 1.00 0.00 H new ATOM 0 HB THR A 44 8.253 3.048 -4.645 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.679 0.727 -4.869 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.397 1.338 -3.073 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.279 2.708 -3.269 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.945 1.163 -4.086 1.00 0.00 H new ATOM 651 N ILE A 45 4.325 2.384 -5.961 1.00 0.00 N ATOM 652 CA ILE A 45 3.158 1.592 -6.329 1.00 0.00 C ATOM 653 C ILE A 45 2.808 1.780 -7.800 1.00 0.00 C ATOM 654 O ILE A 45 2.097 2.715 -8.165 1.00 0.00 O ATOM 655 CB ILE A 45 1.932 1.965 -5.473 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.295 1.951 -3.987 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.780 1.011 -5.750 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.852 0.626 -3.512 1.00 0.00 C ATOM 0 H ILE A 45 4.136 3.122 -5.282 1.00 0.00 H new ATOM 0 HA ILE A 45 3.416 0.549 -6.148 1.00 0.00 H new ATOM 0 HB ILE A 45 1.616 2.973 -5.741 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.028 2.734 -3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.407 2.193 -3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.078 1.289 -5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.507 1.067 -6.804 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.085 -0.007 -5.508 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.087 0.690 -2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.113 -0.158 -3.674 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.758 0.391 -4.070 1.00 0.00 H new ATOM 670 N ASP A 46 3.309 0.881 -8.640 1.00 0.00 N ATOM 671 CA ASP A 46 3.046 0.947 -10.071 1.00 0.00 C ATOM 672 C ASP A 46 1.558 0.772 -10.355 1.00 0.00 C ATOM 673 O ASP A 46 1.037 1.304 -11.335 1.00 0.00 O ATOM 674 CB ASP A 46 3.848 -0.126 -10.809 1.00 0.00 C ATOM 675 CG ASP A 46 3.754 0.012 -12.316 1.00 0.00 C ATOM 676 OD1 ASP A 46 3.309 1.079 -12.788 1.00 0.00 O ATOM 677 OD2 ASP A 46 4.123 -0.948 -13.025 1.00 0.00 O ATOM 0 H ASP A 46 3.899 0.099 -8.354 1.00 0.00 H new ATOM 0 HA ASP A 46 3.355 1.929 -10.429 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.893 -0.066 -10.506 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.487 -1.111 -10.514 1.00 0.00 H new ATOM 682 N LYS A 47 0.879 0.022 -9.491 1.00 0.00 N ATOM 683 CA LYS A 47 -0.550 -0.222 -9.649 1.00 0.00 C ATOM 684 C LYS A 47 -1.172 -0.682 -8.335 1.00 0.00 C ATOM 685 O LYS A 47 -0.465 -1.051 -7.398 1.00 0.00 O ATOM 686 CB LYS A 47 -0.790 -1.275 -10.733 1.00 0.00 C ATOM 687 CG LYS A 47 -0.703 -0.724 -12.148 1.00 0.00 C ATOM 688 CD LYS A 47 0.633 -1.054 -12.794 1.00 0.00 C ATOM 689 CE LYS A 47 0.596 -2.407 -13.487 1.00 0.00 C ATOM 690 NZ LYS A 47 1.184 -3.481 -12.639 1.00 0.00 N ATOM 0 H LYS A 47 1.296 -0.427 -8.675 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.022 0.714 -9.947 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.059 -2.075 -10.618 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.774 -1.719 -10.585 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.512 -1.137 -12.751 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.841 0.357 -12.128 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.890 -0.280 -13.517 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.416 -1.054 -12.035 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.435 -2.661 -13.732 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.142 -2.348 -14.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.390 -4.314 -13.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.064 -3.137 -12.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.509 -3.743 -11.893 1.00 0.00 H new ATOM 704 N LEU A 48 -2.499 -0.660 -8.276 1.00 0.00 N ATOM 705 CA LEU A 48 -3.216 -1.080 -7.079 1.00 0.00 C ATOM 706 C LEU A 48 -4.335 -2.054 -7.434 1.00 0.00 C ATOM 707 O LEU A 48 -5.157 -1.778 -8.308 1.00 0.00 O ATOM 708 CB LEU A 48 -3.788 0.135 -6.343 1.00 0.00 C ATOM 709 CG LEU A 48 -4.949 0.840 -7.046 1.00 0.00 C ATOM 710 CD1 LEU A 48 -5.586 1.866 -6.121 1.00 0.00 C ATOM 711 CD2 LEU A 48 -4.471 1.502 -8.331 1.00 0.00 C ATOM 0 H LEU A 48 -3.099 -0.356 -9.043 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.511 -1.588 -6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.123 -0.184 -5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.986 0.857 -6.190 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.701 0.094 -7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.410 2.359 -6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.963 1.367 -5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.842 2.609 -5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.310 1.999 -8.818 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.700 2.237 -8.097 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.060 0.745 -8.999 1.00 0.00 H new ATOM 723 N GLN A 49 -4.359 -3.195 -6.753 1.00 0.00 N ATOM 724 CA GLN A 49 -5.377 -4.209 -7.000 1.00 0.00 C ATOM 725 C GLN A 49 -6.108 -4.574 -5.711 1.00 0.00 C ATOM 726 O GLN A 49 -5.551 -4.469 -4.619 1.00 0.00 O ATOM 727 CB GLN A 49 -4.742 -5.461 -7.612 1.00 0.00 C ATOM 728 CG GLN A 49 -4.161 -5.231 -8.997 1.00 0.00 C ATOM 729 CD GLN A 49 -3.488 -6.468 -9.559 1.00 0.00 C ATOM 730 OE1 GLN A 49 -3.178 -7.407 -8.826 1.00 0.00 O ATOM 731 NE2 GLN A 49 -3.256 -6.474 -10.867 1.00 0.00 N ATOM 0 H GLN A 49 -3.686 -3.440 -6.027 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.101 -3.796 -7.702 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.953 -5.819 -6.951 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.493 -6.249 -7.668 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.956 -4.915 -9.673 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.438 -4.417 -8.953 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.530 -5.674 -11.437 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.804 -7.279 -11.301 1.00 0.00 H new ATOM 740 N ALA A 50 -7.358 -5.003 -5.850 1.00 0.00 N ATOM 741 CA ALA A 50 -8.168 -5.381 -4.699 1.00 0.00 C ATOM 742 C ALA A 50 -9.001 -6.623 -4.999 1.00 0.00 C ATOM 743 O ALA A 50 -9.161 -7.010 -6.157 1.00 0.00 O ATOM 744 CB ALA A 50 -9.069 -4.228 -4.284 1.00 0.00 C ATOM 0 H ALA A 50 -7.832 -5.097 -6.748 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.495 -5.616 -3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.668 -4.526 -3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.457 -3.365 -4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.728 -3.966 -5.111 1.00 0.00 H new ATOM 750 N THR A 51 -9.529 -7.243 -3.950 1.00 0.00 N ATOM 751 CA THR A 51 -10.344 -8.443 -4.103 1.00 0.00 C ATOM 752 C THR A 51 -11.692 -8.106 -4.741 1.00 0.00 C ATOM 753 O THR A 51 -12.241 -7.028 -4.516 1.00 0.00 O ATOM 754 CB THR A 51 -10.563 -9.114 -2.746 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.854 -8.148 -1.751 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.368 -9.913 -2.275 1.00 0.00 C ATOM 0 H THR A 51 -9.408 -6.935 -2.985 1.00 0.00 H new ATOM 0 HA THR A 51 -9.812 -9.133 -4.759 1.00 0.00 H new ATOM 0 HB THR A 51 -11.401 -9.796 -2.892 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.778 -7.840 -1.855 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.590 -10.363 -1.307 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.148 -10.698 -2.998 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.505 -9.255 -2.180 1.00 0.00 H new ATOM 764 N PRO A 52 -12.241 -9.029 -5.551 1.00 0.00 N ATOM 765 CA PRO A 52 -13.528 -8.823 -6.224 1.00 0.00 C ATOM 766 C PRO A 52 -14.703 -8.838 -5.251 1.00 0.00 C ATOM 767 O PRO A 52 -14.602 -9.370 -4.147 1.00 0.00 O ATOM 768 CB PRO A 52 -13.619 -10.007 -7.188 1.00 0.00 C ATOM 769 CG PRO A 52 -12.770 -11.064 -6.571 1.00 0.00 C ATOM 770 CD PRO A 52 -11.651 -10.341 -5.875 1.00 0.00 C ATOM 0 HA PRO A 52 -13.578 -7.851 -6.714 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.649 -10.344 -7.304 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.257 -9.738 -8.181 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.345 -11.664 -5.866 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.383 -11.745 -7.329 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.328 -10.869 -4.978 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.776 -10.241 -6.518 1.00 0.00 H new ATOM 778 N ALA A 53 -15.818 -8.248 -5.673 1.00 0.00 N ATOM 779 CA ALA A 53 -17.015 -8.192 -4.843 1.00 0.00 C ATOM 780 C ALA A 53 -17.572 -9.588 -4.573 1.00 0.00 C ATOM 781 O ALA A 53 -18.365 -9.781 -3.652 1.00 0.00 O ATOM 782 CB ALA A 53 -18.073 -7.321 -5.505 1.00 0.00 C ATOM 0 H ALA A 53 -15.916 -7.802 -6.585 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.739 -7.752 -3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.962 -7.287 -4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -17.683 -6.312 -5.637 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.333 -7.740 -6.477 1.00 0.00 H new ATOM 788 N SER A 54 -17.151 -10.561 -5.378 1.00 0.00 N ATOM 789 CA SER A 54 -17.611 -11.936 -5.219 1.00 0.00 C ATOM 790 C SER A 54 -16.704 -12.721 -4.272 1.00 0.00 C ATOM 791 O SER A 54 -16.941 -13.902 -4.013 1.00 0.00 O ATOM 792 CB SER A 54 -17.666 -12.633 -6.579 1.00 0.00 C ATOM 793 OG SER A 54 -18.658 -12.058 -7.410 1.00 0.00 O ATOM 0 H SER A 54 -16.493 -10.422 -6.145 1.00 0.00 H new ATOM 0 HA SER A 54 -18.611 -11.905 -4.785 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.694 -12.562 -7.066 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.875 -13.693 -6.439 1.00 0.00 H new ATOM 0 HG SER A 54 -18.670 -12.521 -8.273 1.00 0.00 H new ATOM 799 N SER A 55 -15.670 -12.064 -3.756 1.00 0.00 N ATOM 800 CA SER A 55 -14.738 -12.704 -2.839 1.00 0.00 C ATOM 801 C SER A 55 -14.950 -12.198 -1.420 1.00 0.00 C ATOM 802 O SER A 55 -14.684 -11.036 -1.117 1.00 0.00 O ATOM 803 CB SER A 55 -13.296 -12.441 -3.277 1.00 0.00 C ATOM 804 OG SER A 55 -12.937 -13.265 -4.373 1.00 0.00 O ATOM 0 H SER A 55 -15.458 -11.087 -3.959 1.00 0.00 H new ATOM 0 HA SER A 55 -14.923 -13.778 -2.858 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.182 -11.393 -3.554 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.620 -12.626 -2.442 1.00 0.00 H new ATOM 0 HG SER A 55 -12.012 -13.076 -4.635 1.00 0.00 H new ATOM 810 N GLU A 56 -15.423 -13.084 -0.549 1.00 0.00 N ATOM 811 CA GLU A 56 -15.663 -12.731 0.844 1.00 0.00 C ATOM 812 C GLU A 56 -14.390 -12.199 1.496 1.00 0.00 C ATOM 813 O GLU A 56 -14.442 -11.528 2.527 1.00 0.00 O ATOM 814 CB GLU A 56 -16.179 -13.944 1.618 1.00 0.00 C ATOM 815 CG GLU A 56 -16.596 -13.624 3.044 1.00 0.00 C ATOM 816 CD GLU A 56 -17.010 -14.858 3.824 1.00 0.00 C ATOM 817 OE1 GLU A 56 -16.924 -15.972 3.265 1.00 0.00 O ATOM 818 OE2 GLU A 56 -17.419 -14.710 4.995 1.00 0.00 O ATOM 0 H GLU A 56 -15.647 -14.051 -0.784 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.419 -11.946 0.870 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.030 -14.369 1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.402 -14.709 1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.769 -13.134 3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.424 -12.916 3.026 1.00 0.00 H new ATOM 825 N LYS A 57 -13.247 -12.503 0.887 1.00 0.00 N ATOM 826 CA LYS A 57 -11.962 -12.055 1.408 1.00 0.00 C ATOM 827 C LYS A 57 -11.628 -10.655 0.903 1.00 0.00 C ATOM 828 O LYS A 57 -11.030 -10.493 -0.159 1.00 0.00 O ATOM 829 CB LYS A 57 -10.856 -13.032 1.004 1.00 0.00 C ATOM 830 CG LYS A 57 -11.016 -14.417 1.609 1.00 0.00 C ATOM 831 CD LYS A 57 -9.833 -15.311 1.280 1.00 0.00 C ATOM 832 CE LYS A 57 -10.044 -16.727 1.788 1.00 0.00 C ATOM 833 NZ LYS A 57 -9.362 -16.957 3.091 1.00 0.00 N ATOM 0 H LYS A 57 -13.186 -13.057 0.033 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.030 -12.023 2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.839 -13.119 -0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.892 -12.622 1.306 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.119 -14.332 2.691 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.933 -14.874 1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.680 -15.330 0.201 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.928 -14.896 1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.111 -16.918 1.898 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.668 -17.437 1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.530 -17.935 3.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.340 -16.800 2.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.739 -16.297 3.801 1.00 0.00 H new ATOM 847 N MET A 58 -12.021 -9.646 1.674 1.00 0.00 N ATOM 848 CA MET A 58 -11.765 -8.257 1.306 1.00 0.00 C ATOM 849 C MET A 58 -10.324 -7.870 1.623 1.00 0.00 C ATOM 850 O MET A 58 -9.967 -7.655 2.781 1.00 0.00 O ATOM 851 CB MET A 58 -12.731 -7.325 2.040 1.00 0.00 C ATOM 852 CG MET A 58 -12.579 -7.361 3.553 1.00 0.00 C ATOM 853 SD MET A 58 -14.053 -6.778 4.412 1.00 0.00 S ATOM 854 CE MET A 58 -15.218 -8.078 4.008 1.00 0.00 C ATOM 0 H MET A 58 -12.518 -9.764 2.557 1.00 0.00 H new ATOM 0 HA MET A 58 -11.923 -8.156 0.232 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.574 -6.304 1.691 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.754 -7.597 1.779 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.359 -8.381 3.868 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.727 -6.747 3.844 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.982 -8.135 4.783 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.689 -7.860 3.049 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.693 -9.031 3.946 1.00 0.00 H new ATOM 864 N MET A 59 -9.498 -7.784 0.585 1.00 0.00 N ATOM 865 CA MET A 59 -8.095 -7.425 0.753 1.00 0.00 C ATOM 866 C MET A 59 -7.599 -6.598 -0.430 1.00 0.00 C ATOM 867 O MET A 59 -7.987 -6.837 -1.573 1.00 0.00 O ATOM 868 CB MET A 59 -7.242 -8.685 0.901 1.00 0.00 C ATOM 869 CG MET A 59 -7.664 -9.573 2.061 1.00 0.00 C ATOM 870 SD MET A 59 -6.538 -10.955 2.325 1.00 0.00 S ATOM 871 CE MET A 59 -7.378 -11.830 3.644 1.00 0.00 C ATOM 0 H MET A 59 -9.776 -7.958 -0.381 1.00 0.00 H new ATOM 0 HA MET A 59 -8.005 -6.823 1.657 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.295 -9.260 -0.024 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.200 -8.395 1.037 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.718 -8.975 2.970 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.666 -9.957 1.873 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.660 -12.441 4.190 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.835 -11.111 4.324 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.151 -12.471 3.221 1.00 0.00 H new ATOM 881 N LEU A 60 -6.738 -5.624 -0.147 1.00 0.00 N ATOM 882 CA LEU A 60 -6.190 -4.764 -1.190 1.00 0.00 C ATOM 883 C LEU A 60 -4.682 -4.961 -1.319 1.00 0.00 C ATOM 884 O LEU A 60 -3.942 -4.821 -0.346 1.00 0.00 O ATOM 885 CB LEU A 60 -6.499 -3.297 -0.884 1.00 0.00 C ATOM 886 CG LEU A 60 -6.083 -2.307 -1.972 1.00 0.00 C ATOM 887 CD1 LEU A 60 -7.159 -2.203 -3.041 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.797 -0.940 -1.366 1.00 0.00 C ATOM 0 H LEU A 60 -6.406 -5.411 0.794 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.657 -5.037 -2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.571 -3.196 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.000 -3.023 0.045 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.170 -2.674 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.844 -1.494 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.316 -3.181 -3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.089 -1.860 -2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.502 -0.247 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.694 -0.567 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.990 -1.026 -0.638 1.00 0.00 H new ATOM 900 N ARG A 61 -4.235 -5.289 -2.527 1.00 0.00 N ATOM 901 CA ARG A 61 -2.814 -5.507 -2.785 1.00 0.00 C ATOM 902 C ARG A 61 -2.255 -4.426 -3.700 1.00 0.00 C ATOM 903 O ARG A 61 -2.883 -4.049 -4.690 1.00 0.00 O ATOM 904 CB ARG A 61 -2.592 -6.886 -3.409 1.00 0.00 C ATOM 905 CG ARG A 61 -3.604 -7.237 -4.489 1.00 0.00 C ATOM 906 CD ARG A 61 -3.076 -8.318 -5.418 1.00 0.00 C ATOM 907 NE ARG A 61 -3.043 -9.628 -4.771 1.00 0.00 N ATOM 908 CZ ARG A 61 -4.113 -10.406 -4.619 1.00 0.00 C ATOM 909 NH1 ARG A 61 -5.298 -10.011 -5.065 1.00 0.00 N ATOM 910 NH2 ARG A 61 -3.995 -11.584 -4.021 1.00 0.00 N ATOM 0 H ARG A 61 -4.835 -5.410 -3.343 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.287 -5.459 -1.832 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.590 -6.925 -3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.634 -7.641 -2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.530 -7.576 -4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.845 -6.345 -5.067 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.703 -8.369 -6.308 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.072 -8.052 -5.750 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.149 -9.966 -4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.393 -9.107 -5.527 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.114 -10.611 -4.946 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.085 -11.893 -3.678 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.814 -12.181 -3.904 1.00 0.00 H new ATOM 924 N LEU A 62 -1.069 -3.931 -3.361 1.00 0.00 N ATOM 925 CA LEU A 62 -0.422 -2.891 -4.150 1.00 0.00 C ATOM 926 C LEU A 62 0.907 -3.383 -4.713 1.00 0.00 C ATOM 927 O LEU A 62 1.751 -3.900 -3.982 1.00 0.00 O ATOM 928 CB LEU A 62 -0.205 -1.638 -3.300 1.00 0.00 C ATOM 929 CG LEU A 62 -1.109 -0.456 -3.655 1.00 0.00 C ATOM 930 CD1 LEU A 62 -2.552 -0.759 -3.284 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.630 0.808 -2.960 1.00 0.00 C ATOM 0 H LEU A 62 -0.537 -4.234 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.076 -2.642 -4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.362 -1.895 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.834 -1.325 -3.399 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.059 -0.294 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.181 0.093 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.891 -1.640 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.620 -0.947 -2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.285 1.639 -3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.650 0.659 -1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.388 1.034 -3.277 1.00 0.00 H new ATOM 943 N ILE A 63 1.083 -3.216 -6.018 1.00 0.00 N ATOM 944 CA ILE A 63 2.305 -3.640 -6.688 1.00 0.00 C ATOM 945 C ILE A 63 3.297 -2.488 -6.804 1.00 0.00 C ATOM 946 O ILE A 63 2.934 -1.380 -7.197 1.00 0.00 O ATOM 947 CB ILE A 63 2.009 -4.194 -8.095 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.893 -5.236 -8.029 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.268 -4.792 -8.707 1.00 0.00 C ATOM 950 CD1 ILE A 63 -0.494 -4.633 -7.985 1.00 0.00 C ATOM 0 H ILE A 63 0.392 -2.788 -6.635 1.00 0.00 H new ATOM 0 HA ILE A 63 2.743 -4.431 -6.079 1.00 0.00 H new ATOM 0 HB ILE A 63 1.677 -3.373 -8.731 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.968 -5.892 -8.896 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.039 -5.857 -7.145 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.041 -5.179 -9.701 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.036 -4.022 -8.784 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.629 -5.604 -8.076 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.236 -5.430 -7.939 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.587 -3.999 -7.103 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.659 -4.035 -8.881 1.00 0.00 H new ATOM 962 N GLY A 64 4.553 -2.759 -6.460 1.00 0.00 N ATOM 963 CA GLY A 64 5.579 -1.737 -6.532 1.00 0.00 C ATOM 964 C GLY A 64 6.502 -1.922 -7.722 1.00 0.00 C ATOM 965 O GLY A 64 7.652 -2.329 -7.566 1.00 0.00 O ATOM 0 H GLY A 64 4.877 -3.669 -6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.107 -0.756 -6.592 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.167 -1.752 -5.614 1.00 0.00 H new ATOM 1311 N ARG A 86 5.631 -6.371 -3.946 1.00 0.00 N ATOM 1312 CA ARG A 86 4.190 -6.176 -3.840 1.00 0.00 C ATOM 1313 C ARG A 86 3.746 -6.185 -2.381 1.00 0.00 C ATOM 1314 O ARG A 86 4.181 -7.025 -1.594 1.00 0.00 O ATOM 1315 CB ARG A 86 3.449 -7.267 -4.616 1.00 0.00 C ATOM 1316 CG ARG A 86 3.713 -7.234 -6.113 1.00 0.00 C ATOM 1317 CD ARG A 86 2.891 -8.280 -6.846 1.00 0.00 C ATOM 1318 NE ARG A 86 3.273 -8.390 -8.253 1.00 0.00 N ATOM 1319 CZ ARG A 86 2.525 -8.984 -9.180 1.00 0.00 C ATOM 1320 NH1 ARG A 86 1.358 -9.525 -8.855 1.00 0.00 N ATOM 1321 NH2 ARG A 86 2.946 -9.036 -10.436 1.00 0.00 N ATOM 0 HA ARG A 86 3.947 -5.204 -4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.741 -8.242 -4.225 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.378 -7.162 -4.442 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.476 -6.244 -6.504 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.773 -7.406 -6.301 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.018 -9.247 -6.359 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.834 -8.024 -6.776 1.00 0.00 H new ATOM 0 HE ARG A 86 4.165 -7.988 -8.541 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.029 -9.487 -7.890 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.789 -9.979 -9.570 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.842 -8.621 -10.691 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.374 -9.491 -11.147 1.00 0.00 H new ATOM 1335 N HIS A 87 2.875 -5.246 -2.028 1.00 0.00 N ATOM 1336 CA HIS A 87 2.367 -5.149 -0.665 1.00 0.00 C ATOM 1337 C HIS A 87 0.930 -5.648 -0.587 1.00 0.00 C ATOM 1338 O HIS A 87 0.015 -5.024 -1.126 1.00 0.00 O ATOM 1339 CB HIS A 87 2.445 -3.702 -0.170 1.00 0.00 C ATOM 1340 CG HIS A 87 3.784 -3.332 0.389 1.00 0.00 C ATOM 1341 ND1 HIS A 87 4.074 -3.369 1.738 1.00 0.00 N ATOM 1342 CD2 HIS A 87 4.916 -2.916 -0.225 1.00 0.00 C ATOM 1343 CE1 HIS A 87 5.325 -2.990 1.928 1.00 0.00 C ATOM 1344 NE2 HIS A 87 5.858 -2.711 0.752 1.00 0.00 N ATOM 0 H HIS A 87 2.506 -4.541 -2.667 1.00 0.00 H new ATOM 0 HA HIS A 87 2.987 -5.777 -0.026 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.207 -3.031 -0.995 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.685 -3.547 0.596 1.00 0.00 H new ATOM 0 HD1 HIS A 87 3.424 -3.646 2.473 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.053 -2.772 -1.287 1.00 0.00 H new ATOM 0 HE1 HIS A 87 5.826 -2.920 2.882 1.00 0.00 H new ATOM 1353 N MET A 88 0.738 -6.777 0.086 1.00 0.00 N ATOM 1354 CA MET A 88 -0.592 -7.360 0.231 1.00 0.00 C ATOM 1355 C MET A 88 -1.207 -6.982 1.573 1.00 0.00 C ATOM 1356 O MET A 88 -0.733 -7.408 2.627 1.00 0.00 O ATOM 1357 CB MET A 88 -0.521 -8.883 0.099 1.00 0.00 C ATOM 1358 CG MET A 88 -1.883 -9.553 0.059 1.00 0.00 C ATOM 1359 SD MET A 88 -1.773 -11.353 0.097 1.00 0.00 S ATOM 1360 CE MET A 88 -0.913 -11.672 -1.440 1.00 0.00 C ATOM 0 H MET A 88 1.483 -7.306 0.539 1.00 0.00 H new ATOM 0 HA MET A 88 -1.225 -6.963 -0.563 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.026 -9.136 -0.809 1.00 0.00 H new ATOM 0 HB3 MET A 88 0.049 -9.286 0.936 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.477 -9.211 0.907 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.409 -9.244 -0.844 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.002 -12.728 -1.694 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.353 -11.070 -2.235 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.140 -11.413 -1.328 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.264 -6.180 1.528 1.00 0.00 N ATOM 1371 CA PHE A 89 -2.946 -5.743 2.739 1.00 0.00 C ATOM 1372 C PHE A 89 -4.289 -6.446 2.895 1.00 0.00 C ATOM 1373 O PHE A 89 -4.931 -6.806 1.909 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.153 -4.229 2.715 1.00 0.00 C ATOM 1375 CG PHE A 89 -1.886 -3.450 2.908 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -1.304 -3.351 4.161 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.275 -2.818 1.837 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -0.136 -2.635 4.343 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.110 -2.099 2.012 1.00 0.00 C ATOM 1380 CZ PHE A 89 0.461 -2.007 3.267 1.00 0.00 C ATOM 0 H PHE A 89 -2.668 -5.819 0.664 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.318 -6.005 3.591 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.603 -3.947 1.763 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.862 -3.954 3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.768 -3.839 5.005 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.716 -2.889 0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.309 -2.567 5.325 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.355 -1.609 1.169 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.373 -1.445 3.406 1.00 0.00 H new ATOM 1390 N SER A 90 -4.711 -6.631 4.141 1.00 0.00 N ATOM 1391 CA SER A 90 -5.982 -7.284 4.430 1.00 0.00 C ATOM 1392 C SER A 90 -6.891 -6.353 5.224 1.00 0.00 C ATOM 1393 O SER A 90 -6.498 -5.827 6.266 1.00 0.00 O ATOM 1394 CB SER A 90 -5.753 -8.584 5.203 1.00 0.00 C ATOM 1395 OG SER A 90 -6.976 -9.111 5.689 1.00 0.00 O ATOM 0 H SER A 90 -4.191 -6.338 4.968 1.00 0.00 H new ATOM 0 HA SER A 90 -6.468 -7.523 3.484 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.270 -9.316 4.555 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.076 -8.400 6.037 1.00 0.00 H new ATOM 0 HG SER A 90 -6.803 -9.942 6.178 1.00 0.00 H new ATOM 1401 N PHE A 91 -8.101 -6.142 4.719 1.00 0.00 N ATOM 1402 CA PHE A 91 -9.056 -5.261 5.375 1.00 0.00 C ATOM 1403 C PHE A 91 -10.077 -6.040 6.187 1.00 0.00 C ATOM 1404 O PHE A 91 -10.607 -7.056 5.734 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.776 -4.404 4.338 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.999 -3.189 3.936 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.045 -3.263 2.937 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.222 -1.976 4.563 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.324 -2.146 2.566 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.505 -0.854 4.198 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.553 -0.938 3.198 1.00 0.00 C ATOM 0 H PHE A 91 -8.442 -6.569 3.858 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.496 -4.623 6.059 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.977 -5.008 3.453 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.741 -4.094 4.739 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.862 -4.205 2.442 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.964 -1.906 5.345 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.583 -2.216 1.784 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.687 0.088 4.693 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.990 -0.062 2.912 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.364 -5.542 7.381 1.00 0.00 N ATOM 1422 CA ASN A 92 -11.340 -6.170 8.256 1.00 0.00 C ATOM 1423 C ASN A 92 -12.710 -5.518 8.079 1.00 0.00 C ATOM 1424 O ASN A 92 -13.650 -5.823 8.813 1.00 0.00 O ATOM 1425 CB ASN A 92 -10.895 -6.066 9.716 1.00 0.00 C ATOM 1426 CG ASN A 92 -11.789 -6.855 10.651 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -12.602 -6.286 11.379 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -11.643 -8.174 10.635 1.00 0.00 N ATOM 0 H ASN A 92 -9.932 -4.702 7.766 1.00 0.00 H new ATOM 0 HA ASN A 92 -11.414 -7.224 7.987 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.870 -6.427 9.807 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -10.892 -5.019 10.018 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.218 -8.758 11.242 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.956 -8.604 10.015 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.819 -4.618 7.099 1.00 0.00 N ATOM 1436 CA ASN A 93 -14.073 -3.931 6.835 1.00 0.00 C ATOM 1437 C ASN A 93 -14.198 -3.558 5.362 1.00 0.00 C ATOM 1438 O ASN A 93 -13.343 -2.864 4.813 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.188 -2.677 7.705 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.247 -3.003 9.185 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -14.991 -3.885 9.609 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -13.456 -2.289 9.978 1.00 0.00 N ATOM 0 H ASN A 93 -12.053 -4.353 6.480 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.886 -4.613 7.084 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.335 -2.026 7.513 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -15.083 -2.123 7.422 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -13.450 -2.463 10.983 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -12.855 -1.567 9.582 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.269 -4.024 4.729 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.509 -3.741 3.320 1.00 0.00 C ATOM 1451 C ARG A 94 -15.687 -2.245 3.091 1.00 0.00 C ATOM 1452 O ARG A 94 -15.342 -1.724 2.031 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.744 -4.497 2.826 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.978 -4.368 1.330 1.00 0.00 C ATOM 1455 CD ARG A 94 -18.181 -5.182 0.882 1.00 0.00 C ATOM 1456 NE ARG A 94 -19.435 -4.628 1.386 1.00 0.00 N ATOM 1457 CZ ARG A 94 -20.592 -5.288 1.383 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -20.656 -6.524 0.903 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -21.687 -4.711 1.861 1.00 0.00 N ATOM 0 H ARG A 94 -15.985 -4.600 5.171 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.640 -4.077 2.755 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.639 -5.552 3.079 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.622 -4.128 3.356 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -17.131 -3.320 1.074 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.091 -4.702 0.792 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -18.211 -5.215 -0.207 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -18.073 -6.210 1.229 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.424 -3.680 1.762 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -19.817 -6.972 0.535 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -21.544 -7.026 0.903 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -21.643 -3.761 2.231 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -22.573 -5.217 1.858 1.00 0.00 H new ATOM 1473 N THR A 95 -16.222 -1.557 4.092 1.00 0.00 N ATOM 1474 CA THR A 95 -16.435 -0.125 3.999 1.00 0.00 C ATOM 1475 C THR A 95 -15.107 0.608 4.093 1.00 0.00 C ATOM 1476 O THR A 95 -14.816 1.503 3.300 1.00 0.00 O ATOM 1477 CB THR A 95 -17.397 0.326 5.105 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.710 0.479 4.596 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.010 1.631 5.762 1.00 0.00 C ATOM 0 H THR A 95 -16.515 -1.971 4.977 1.00 0.00 H new ATOM 0 HA THR A 95 -16.883 0.115 3.035 1.00 0.00 H new ATOM 0 HB THR A 95 -17.346 -0.462 5.856 1.00 0.00 H new ATOM 0 HG1 THR A 95 -19.309 0.765 5.317 1.00 0.00 H new ATOM 0 HG21 THR A 95 -17.740 1.881 6.532 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.024 1.532 6.215 1.00 0.00 H new ATOM 0 HG23 THR A 95 -16.988 2.423 5.013 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.308 0.208 5.065 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.000 0.807 5.274 1.00 0.00 C ATOM 1489 C VAL A 96 -12.062 0.464 4.126 1.00 0.00 C ATOM 1490 O VAL A 96 -11.163 1.237 3.793 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.372 0.347 6.604 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -11.024 1.020 6.825 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -13.310 0.633 7.766 1.00 0.00 C ATOM 0 H VAL A 96 -14.542 -0.533 5.726 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.143 1.887 5.315 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.211 -0.730 6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.599 0.681 7.770 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.349 0.760 6.009 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.158 2.101 6.855 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.849 0.301 8.696 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.506 1.704 7.820 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.249 0.099 7.616 1.00 0.00 H new ATOM 1503 N MET A 97 -12.282 -0.695 3.522 1.00 0.00 N ATOM 1504 CA MET A 97 -11.458 -1.138 2.406 1.00 0.00 C ATOM 1505 C MET A 97 -11.818 -0.372 1.136 1.00 0.00 C ATOM 1506 O MET A 97 -10.962 -0.117 0.289 1.00 0.00 O ATOM 1507 CB MET A 97 -11.606 -2.653 2.195 1.00 0.00 C ATOM 1508 CG MET A 97 -12.671 -3.050 1.181 1.00 0.00 C ATOM 1509 SD MET A 97 -12.001 -3.267 -0.479 1.00 0.00 S ATOM 1510 CE MET A 97 -12.261 -5.023 -0.722 1.00 0.00 C ATOM 0 H MET A 97 -13.023 -1.345 3.785 1.00 0.00 H new ATOM 0 HA MET A 97 -10.415 -0.929 2.642 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.647 -3.057 1.872 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.842 -3.119 3.152 1.00 0.00 H new ATOM 0 HG2 MET A 97 -13.145 -3.978 1.502 1.00 0.00 H new ATOM 0 HG3 MET A 97 -13.448 -2.286 1.158 1.00 0.00 H new ATOM 0 HE1 MET A 97 -12.186 -5.258 -1.784 1.00 0.00 H new ATOM 0 HE2 MET A 97 -11.505 -5.582 -0.172 1.00 0.00 H new ATOM 0 HE3 MET A 97 -13.251 -5.298 -0.359 1.00 0.00 H new ATOM 1520 N ASP A 98 -13.091 -0.003 1.013 1.00 0.00 N ATOM 1521 CA ASP A 98 -13.559 0.736 -0.149 1.00 0.00 C ATOM 1522 C ASP A 98 -13.103 2.188 -0.085 1.00 0.00 C ATOM 1523 O ASP A 98 -12.906 2.836 -1.113 1.00 0.00 O ATOM 1524 CB ASP A 98 -15.084 0.667 -0.246 1.00 0.00 C ATOM 1525 CG ASP A 98 -15.608 1.250 -1.546 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -14.799 1.448 -2.476 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -16.827 1.507 -1.632 1.00 0.00 O ATOM 0 H ASP A 98 -13.813 -0.205 1.704 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.129 0.278 -1.039 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.404 -0.372 -0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.524 1.205 0.594 1.00 0.00 H new ATOM 1532 N ASN A 99 -12.936 2.690 1.132 1.00 0.00 N ATOM 1533 CA ASN A 99 -12.502 4.064 1.339 1.00 0.00 C ATOM 1534 C ASN A 99 -11.031 4.229 0.981 1.00 0.00 C ATOM 1535 O ASN A 99 -10.599 5.297 0.547 1.00 0.00 O ATOM 1536 CB ASN A 99 -12.738 4.483 2.792 1.00 0.00 C ATOM 1537 CG ASN A 99 -14.209 4.506 3.157 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -15.076 4.507 2.284 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -14.496 4.522 4.453 1.00 0.00 N ATOM 0 H ASN A 99 -13.095 2.164 1.992 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.090 4.707 0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.213 3.795 3.455 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.311 5.472 2.956 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.469 4.536 4.760 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.744 4.520 5.142 1.00 0.00 H new ATOM 1546 N ILE A 100 -10.271 3.160 1.165 1.00 0.00 N ATOM 1547 CA ILE A 100 -8.844 3.169 0.864 1.00 0.00 C ATOM 1548 C ILE A 100 -8.591 2.840 -0.604 1.00 0.00 C ATOM 1549 O ILE A 100 -7.771 3.479 -1.263 1.00 0.00 O ATOM 1550 CB ILE A 100 -8.082 2.158 1.747 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.305 2.468 3.228 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.597 2.172 1.415 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.700 3.781 3.673 1.00 0.00 C ATOM 0 H ILE A 100 -10.619 2.271 1.523 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.478 4.174 1.075 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.469 1.160 1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.376 2.485 3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.881 1.662 3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.076 1.453 2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.456 1.904 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.194 3.169 1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.899 3.932 4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.623 3.761 3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.141 4.597 3.101 1.00 0.00 H new ATOM 1565 N LYS A 101 -9.298 1.837 -1.110 1.00 0.00 N ATOM 1566 CA LYS A 101 -9.146 1.420 -2.499 1.00 0.00 C ATOM 1567 C LYS A 101 -9.444 2.571 -3.455 1.00 0.00 C ATOM 1568 O LYS A 101 -8.822 2.690 -4.510 1.00 0.00 O ATOM 1569 CB LYS A 101 -10.069 0.240 -2.803 1.00 0.00 C ATOM 1570 CG LYS A 101 -9.901 -0.318 -4.206 1.00 0.00 C ATOM 1571 CD LYS A 101 -10.593 -1.663 -4.359 1.00 0.00 C ATOM 1572 CE LYS A 101 -12.100 -1.502 -4.490 1.00 0.00 C ATOM 1573 NZ LYS A 101 -12.463 -0.482 -5.512 1.00 0.00 N ATOM 0 H LYS A 101 -9.982 1.297 -0.580 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.111 1.112 -2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.880 -0.554 -2.080 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.104 0.555 -2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.310 0.387 -4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.840 -0.426 -4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.203 -2.176 -5.238 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.366 -2.290 -3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.545 -2.460 -4.759 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.520 -1.215 -3.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.434 -0.652 -5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.401 0.467 -5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.807 -0.548 -6.317 1.00 0.00 H new ATOM 1587 N MET A 102 -10.400 3.417 -3.082 1.00 0.00 N ATOM 1588 CA MET A 102 -10.778 4.553 -3.913 1.00 0.00 C ATOM 1589 C MET A 102 -9.833 5.726 -3.711 1.00 0.00 C ATOM 1590 O MET A 102 -9.412 6.372 -4.670 1.00 0.00 O ATOM 1591 CB MET A 102 -12.217 4.980 -3.610 1.00 0.00 C ATOM 1592 CG MET A 102 -13.254 3.932 -3.980 1.00 0.00 C ATOM 1593 SD MET A 102 -14.943 4.534 -3.798 1.00 0.00 S ATOM 1594 CE MET A 102 -14.968 4.955 -2.058 1.00 0.00 C ATOM 0 H MET A 102 -10.925 3.337 -2.211 1.00 0.00 H new ATOM 0 HA MET A 102 -10.710 4.239 -4.955 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.304 5.206 -2.547 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.435 5.901 -4.150 1.00 0.00 H new ATOM 0 HG2 MET A 102 -13.094 3.616 -5.011 1.00 0.00 H new ATOM 0 HG3 MET A 102 -13.116 3.052 -3.352 1.00 0.00 H new ATOM 0 HE1 MET A 102 -15.913 5.441 -1.815 1.00 0.00 H new ATOM 0 HE2 MET A 102 -14.863 4.048 -1.463 1.00 0.00 H new ATOM 0 HE3 MET A 102 -14.144 5.632 -1.836 1.00 0.00 H new ATOM 1604 N THR A 103 -9.505 5.994 -2.459 1.00 0.00 N ATOM 1605 CA THR A 103 -8.607 7.091 -2.126 1.00 0.00 C ATOM 1606 C THR A 103 -7.209 6.823 -2.673 1.00 0.00 C ATOM 1607 O THR A 103 -6.544 7.727 -3.180 1.00 0.00 O ATOM 1608 CB THR A 103 -8.564 7.313 -0.608 1.00 0.00 C ATOM 1609 OG1 THR A 103 -8.208 8.650 -0.309 1.00 0.00 O ATOM 1610 CG2 THR A 103 -7.591 6.408 0.119 1.00 0.00 C ATOM 0 H THR A 103 -9.846 5.468 -1.654 1.00 0.00 H new ATOM 0 HA THR A 103 -8.987 8.000 -2.592 1.00 0.00 H new ATOM 0 HB THR A 103 -9.570 7.078 -0.262 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.187 8.773 0.663 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.619 6.626 1.187 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.869 5.367 -0.046 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.583 6.578 -0.260 1.00 0.00 H new ATOM 1618 N LEU A 104 -6.774 5.571 -2.574 1.00 0.00 N ATOM 1619 CA LEU A 104 -5.462 5.182 -3.068 1.00 0.00 C ATOM 1620 C LEU A 104 -5.407 5.304 -4.585 1.00 0.00 C ATOM 1621 O LEU A 104 -4.360 5.604 -5.156 1.00 0.00 O ATOM 1622 CB LEU A 104 -5.132 3.749 -2.646 1.00 0.00 C ATOM 1623 CG LEU A 104 -4.682 3.589 -1.193 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -4.361 2.134 -0.891 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -3.477 4.473 -0.911 1.00 0.00 C ATOM 0 H LEU A 104 -7.311 4.811 -2.157 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.721 5.854 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.012 3.127 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.347 3.366 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.498 3.901 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.043 2.040 0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.249 1.524 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.561 1.794 -1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.169 4.348 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.656 4.190 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.741 5.516 -1.088 1.00 0.00 H new ATOM 1637 N GLN A 105 -6.546 5.072 -5.235 1.00 0.00 N ATOM 1638 CA GLN A 105 -6.625 5.161 -6.686 1.00 0.00 C ATOM 1639 C GLN A 105 -6.425 6.596 -7.149 1.00 0.00 C ATOM 1640 O GLN A 105 -5.868 6.845 -8.218 1.00 0.00 O ATOM 1641 CB GLN A 105 -7.971 4.627 -7.184 1.00 0.00 C ATOM 1642 CG GLN A 105 -7.864 3.303 -7.923 1.00 0.00 C ATOM 1643 CD GLN A 105 -8.406 3.377 -9.337 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -9.616 3.469 -9.547 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -7.511 3.337 -10.317 1.00 0.00 N ATOM 0 H GLN A 105 -7.423 4.822 -4.778 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.828 4.548 -7.108 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.642 4.506 -6.333 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.424 5.367 -7.844 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.820 2.992 -7.954 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -8.408 2.538 -7.369 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -6.518 3.260 -10.098 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -7.817 3.383 -11.289 1.00 0.00 H new ATOM 1654 N GLN A 106 -6.877 7.537 -6.332 1.00 0.00 N ATOM 1655 CA GLN A 106 -6.742 8.950 -6.653 1.00 0.00 C ATOM 1656 C GLN A 106 -5.275 9.345 -6.688 1.00 0.00 C ATOM 1657 O GLN A 106 -4.838 10.072 -7.580 1.00 0.00 O ATOM 1658 CB GLN A 106 -7.498 9.807 -5.637 1.00 0.00 C ATOM 1659 CG GLN A 106 -8.993 9.536 -5.604 1.00 0.00 C ATOM 1660 CD GLN A 106 -9.659 9.783 -6.943 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -9.471 10.832 -7.560 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -10.446 8.814 -7.400 1.00 0.00 N ATOM 0 H GLN A 106 -7.340 7.347 -5.443 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.174 9.122 -7.639 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.083 9.630 -4.645 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.333 10.859 -5.868 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.165 8.503 -5.302 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.457 10.170 -4.849 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.573 7.961 -6.855 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -10.923 8.924 -8.295 1.00 0.00 H new ATOM 1671 N ILE A 107 -4.509 8.847 -5.722 1.00 0.00 N ATOM 1672 CA ILE A 107 -3.085 9.137 -5.660 1.00 0.00 C ATOM 1673 C ILE A 107 -2.411 8.706 -6.957 1.00 0.00 C ATOM 1674 O ILE A 107 -1.591 9.434 -7.520 1.00 0.00 O ATOM 1675 CB ILE A 107 -2.420 8.419 -4.468 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -3.029 8.909 -3.152 1.00 0.00 C ATOM 1677 CG2 ILE A 107 -0.916 8.641 -4.482 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -2.695 8.031 -1.967 1.00 0.00 C ATOM 0 H ILE A 107 -4.851 8.243 -4.975 1.00 0.00 H new ATOM 0 HA ILE A 107 -2.965 10.212 -5.523 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.604 7.348 -4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.678 9.922 -2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.112 8.962 -3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.464 8.127 -3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.499 8.247 -5.409 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.705 9.708 -4.414 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.160 8.439 -1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.070 7.023 -2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.614 7.997 -1.832 1.00 0.00 H new ATOM 1690 N ILE A 108 -2.785 7.525 -7.436 1.00 0.00 N ATOM 1691 CA ILE A 108 -2.246 6.989 -8.683 1.00 0.00 C ATOM 1692 C ILE A 108 -2.403 8.002 -9.796 1.00 0.00 C ATOM 1693 O ILE A 108 -1.451 8.346 -10.498 1.00 0.00 O ATOM 1694 CB ILE A 108 -2.982 5.705 -9.112 1.00 0.00 C ATOM 1695 CG1 ILE A 108 -3.225 4.782 -7.918 1.00 0.00 C ATOM 1696 CG2 ILE A 108 -2.201 4.993 -10.198 1.00 0.00 C ATOM 1697 CD1 ILE A 108 -2.009 4.581 -7.040 1.00 0.00 C ATOM 0 H ILE A 108 -3.463 6.917 -6.977 1.00 0.00 H new ATOM 0 HA ILE A 108 -1.194 6.764 -8.506 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.956 5.986 -9.512 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -4.034 5.192 -7.313 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.561 3.812 -8.284 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.731 4.087 -10.493 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -2.097 5.650 -11.062 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.213 4.729 -9.822 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.262 3.914 -6.215 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.204 4.141 -7.629 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.684 5.543 -6.643 1.00 0.00 H new ATOM 1709 N SER A 109 -3.627 8.464 -9.940 1.00 0.00 N ATOM 1710 CA SER A 109 -3.973 9.445 -10.963 1.00 0.00 C ATOM 1711 C SER A 109 -3.112 10.696 -10.838 1.00 0.00 C ATOM 1712 O SER A 109 -2.812 11.360 -11.830 1.00 0.00 O ATOM 1713 CB SER A 109 -5.453 9.816 -10.867 1.00 0.00 C ATOM 1714 OG SER A 109 -5.841 10.653 -11.943 1.00 0.00 O ATOM 0 H SER A 109 -4.412 8.175 -9.357 1.00 0.00 H new ATOM 0 HA SER A 109 -3.782 8.995 -11.937 1.00 0.00 H new ATOM 0 HB2 SER A 109 -6.059 8.910 -10.870 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.643 10.323 -9.921 1.00 0.00 H new ATOM 0 HG SER A 109 -6.792 10.874 -11.859 1.00 0.00 H new ATOM 1720 N ARG A 110 -2.722 11.012 -9.612 1.00 0.00 N ATOM 1721 CA ARG A 110 -1.897 12.182 -9.351 1.00 0.00 C ATOM 1722 C ARG A 110 -0.471 11.960 -9.827 1.00 0.00 C ATOM 1723 O ARG A 110 0.203 12.893 -10.264 1.00 0.00 O ATOM 1724 CB ARG A 110 -1.908 12.523 -7.860 1.00 0.00 C ATOM 1725 CG ARG A 110 -3.269 12.956 -7.342 1.00 0.00 C ATOM 1726 CD ARG A 110 -3.198 13.408 -5.893 1.00 0.00 C ATOM 1727 NE ARG A 110 -4.525 13.613 -5.317 1.00 0.00 N ATOM 1728 CZ ARG A 110 -5.293 14.667 -5.583 1.00 0.00 C ATOM 1729 NH1 ARG A 110 -4.872 15.612 -6.414 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -6.488 14.777 -5.017 1.00 0.00 N ATOM 0 H ARG A 110 -2.964 10.473 -8.781 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.317 13.020 -9.907 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.574 11.653 -7.295 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.188 13.320 -7.673 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.652 13.769 -7.959 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.973 12.129 -7.432 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.660 12.663 -5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.628 14.335 -5.830 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.884 12.907 -4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.955 15.533 -6.853 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.466 16.417 -6.614 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.818 14.054 -4.378 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.076 15.585 -5.221 1.00 0.00 H new ATOM 1744 N TYR A 111 -0.019 10.718 -9.746 1.00 0.00 N ATOM 1745 CA TYR A 111 1.329 10.368 -10.176 1.00 0.00 C ATOM 1746 C TYR A 111 1.424 10.362 -11.696 1.00 0.00 C ATOM 1747 O TYR A 111 2.484 10.618 -12.266 1.00 0.00 O ATOM 1748 CB TYR A 111 1.736 9.005 -9.614 1.00 0.00 C ATOM 1749 CG TYR A 111 2.348 9.081 -8.234 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.702 9.353 -8.069 1.00 0.00 C ATOM 1751 CD2 TYR A 111 1.577 8.882 -7.097 1.00 0.00 C ATOM 1752 CE1 TYR A 111 4.266 9.425 -6.810 1.00 0.00 C ATOM 1753 CE2 TYR A 111 2.133 8.952 -5.834 1.00 0.00 C ATOM 1754 CZ TYR A 111 3.479 9.225 -5.696 1.00 0.00 C ATOM 1755 OH TYR A 111 4.037 9.296 -4.441 1.00 0.00 O ATOM 0 H TYR A 111 -0.565 9.935 -9.387 1.00 0.00 H new ATOM 0 HA TYR A 111 2.015 11.122 -9.790 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.859 8.359 -9.579 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.449 8.539 -10.294 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.322 9.510 -8.939 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.523 8.669 -7.201 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.319 9.637 -6.699 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.518 8.794 -4.960 1.00 0.00 H new ATOM 0 HH TYR A 111 3.346 9.132 -3.766 1.00 0.00 H new ATOM 1765 N LYS A 112 0.303 10.074 -12.343 1.00 0.00 N ATOM 1766 CA LYS A 112 0.245 10.037 -13.796 1.00 0.00 C ATOM 1767 C LYS A 112 0.302 11.447 -14.374 1.00 0.00 C ATOM 1768 O LYS A 112 0.834 11.662 -15.463 1.00 0.00 O ATOM 1769 CB LYS A 112 -1.031 9.333 -14.261 1.00 0.00 C ATOM 1770 CG LYS A 112 -1.155 7.904 -13.756 1.00 0.00 C ATOM 1771 CD LYS A 112 -0.011 7.034 -14.256 1.00 0.00 C ATOM 1772 CE LYS A 112 0.820 6.487 -13.105 1.00 0.00 C ATOM 1773 NZ LYS A 112 0.404 5.107 -12.728 1.00 0.00 N ATOM 0 H LYS A 112 -0.581 9.862 -11.881 1.00 0.00 H new ATOM 0 HA LYS A 112 1.109 9.478 -14.156 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.895 9.905 -13.924 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.057 9.328 -15.351 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.165 7.902 -12.666 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.105 7.482 -14.085 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.411 6.207 -14.842 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.626 7.617 -14.921 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.873 6.485 -13.386 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.722 7.145 -12.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.922 4.808 -11.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.618 5.093 -12.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.616 4.455 -13.510 1.00 0.00 H new ATOM 1787 N ASP A 113 -0.251 12.407 -13.635 1.00 0.00 N ATOM 1788 CA ASP A 113 -0.264 13.797 -14.073 1.00 0.00 C ATOM 1789 C ASP A 113 1.155 14.313 -14.290 1.00 0.00 C ATOM 1790 O ASP A 113 1.411 15.086 -15.215 1.00 0.00 O ATOM 1791 CB ASP A 113 -0.985 14.672 -13.046 1.00 0.00 C ATOM 1792 CG ASP A 113 -2.464 14.348 -12.948 1.00 0.00 C ATOM 1793 OD1 ASP A 113 -2.989 13.686 -13.867 1.00 0.00 O ATOM 1794 OD2 ASP A 113 -3.096 14.760 -11.952 1.00 0.00 O ATOM 0 H ASP A 113 -0.695 12.246 -12.731 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.799 13.847 -15.021 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.521 14.538 -12.069 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.863 15.721 -13.316 1.00 0.00 H new ATOM 1799 N ALA A 114 2.074 13.883 -13.431 1.00 0.00 N ATOM 1800 CA ALA A 114 3.467 14.302 -13.529 1.00 0.00 C ATOM 1801 C ALA A 114 4.076 13.879 -14.862 1.00 0.00 C ATOM 1802 O ALA A 114 4.944 14.560 -15.402 1.00 0.00 O ATOM 1803 CB ALA A 114 4.272 13.726 -12.373 1.00 0.00 C ATOM 0 H ALA A 114 1.879 13.245 -12.660 1.00 0.00 H new ATOM 0 HA ALA A 114 3.498 15.390 -13.475 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.310 14.046 -12.458 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.859 14.081 -11.429 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.224 12.637 -12.403 1.00 0.00 H new ATOM 1809 N ASP A 115 3.612 12.748 -15.385 1.00 0.00 N ATOM 1810 CA ASP A 115 4.110 12.233 -16.655 1.00 0.00 C ATOM 1811 C ASP A 115 2.959 11.774 -17.546 1.00 0.00 C ATOM 1812 O ASP A 115 2.341 10.738 -17.223 1.00 0.00 O ATOM 1813 CB ASP A 115 5.079 11.074 -16.415 1.00 0.00 C ATOM 1814 CG ASP A 115 6.346 11.515 -15.710 1.00 0.00 C ATOM 1815 OD1 ASP A 115 6.620 12.734 -15.685 1.00 0.00 O ATOM 1816 OD2 ASP A 115 7.067 10.642 -15.182 1.00 0.00 O ATOM 1817 OXT ASP A 115 2.687 12.455 -18.556 1.00 0.00 O ATOM 0 H ASP A 115 2.892 12.171 -14.949 1.00 0.00 H new ATOM 0 HA ASP A 115 4.639 13.040 -17.163 1.00 0.00 H new ATOM 0 HB2 ASP A 115 4.583 10.307 -15.819 1.00 0.00 H new ATOM 0 HB3 ASP A 115 5.338 10.617 -17.370 1.00 0.00 H new