USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 693 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 122 GLN : amide:sc= -0.369 X(o=-0.54,f=-0.6) USER MOD Set 1.2: A 150 HIS : no HD1:sc= -0.174 X(o=-0.54,f=-0.6) USER MOD Set 2.1: A 141 CYS SG : rot 89:sc= -0.25 USER MOD Set 2.2: A 145 GLN : amide:sc= 0.42 X(o=0.17,f=0.57) USER MOD Set 3.1: A 130 HIS :FLIP no HD1:sc= -0.297 F(o=-1.5,f=-0.28) USER MOD Set 3.2: A 131 THR OG1 : rot 74:sc= 0.0206 USER MOD Set 4.1: A 114 TYR OH : rot -54:sc= 1.29 USER MOD Set 4.2: A 118 GLN : amide:sc= -0.0404 K(o=1.2,f=-2.5) USER MOD Set 5.1: A 80 LYS NZ :NH3+ -135:sc= 1.14 (180deg=0) USER MOD Set 5.2: A 83 GLN : amide:sc= 0.574 K(o=1.7,f=-8.1!) USER MOD Single : A 59 MET CE :methyl -112:sc= -0.0495 (180deg=-0.755) USER MOD Single : A 69 CYS SG : rot 51:sc= 0.709 USER MOD Single : A 70 TYR OH : rot -30:sc= 1.1 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.859 F(o=-2,f=-0.86) USER MOD Single : A 92 SER OG : rot 66:sc= 0.374 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0423 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ -145:sc= 0.643 (180deg=0.112) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -129:sc= -0.213 (180deg=-1.82) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 30:sc= -0.0074 USER MOD Single : A 134 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.19) USER MOD Single : A 135 MET CE :methyl -106:sc= -0.341 (180deg=-5.83!) USER MOD Single : A 139 SER OG : rot 180:sc= 0.0152 USER MOD Single : A 143 GLN : amide:sc= -0.0352 K(o=-0.035,f=-1.5!) USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 59 -7.047 -0.832 3.191 1.00 0.00 N ATOM 2 CA MET A 59 -6.076 -0.403 4.167 1.00 0.00 C ATOM 3 C MET A 59 -6.194 1.116 4.334 1.00 0.00 C ATOM 4 O MET A 59 -6.878 1.797 3.560 1.00 0.00 O ATOM 5 CB MET A 59 -4.661 -0.897 3.760 1.00 0.00 C ATOM 6 CG MET A 59 -4.315 -1.179 2.278 1.00 0.00 C ATOM 7 SD MET A 59 -3.451 0.100 1.329 1.00 0.00 S ATOM 8 CE MET A 59 -4.775 1.271 0.968 1.00 0.00 C ATOM 0 HA MET A 59 -6.265 -0.845 5.145 1.00 0.00 H new ATOM 0 HB2 MET A 59 -3.947 -0.156 4.120 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.472 -1.817 4.314 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.706 -2.082 2.247 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.246 -1.404 1.758 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.986 1.263 -0.101 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.672 0.986 1.517 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.467 2.272 1.269 1.00 0.00 H new ATOM 18 N ALA A 60 -5.546 1.638 5.364 1.00 0.00 N ATOM 19 CA ALA A 60 -5.154 3.034 5.452 1.00 0.00 C ATOM 20 C ALA A 60 -3.970 3.272 4.511 1.00 0.00 C ATOM 21 O ALA A 60 -3.657 2.440 3.660 1.00 0.00 O ATOM 22 CB ALA A 60 -4.835 3.389 6.912 1.00 0.00 C ATOM 0 H ALA A 60 -5.273 1.090 6.179 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.966 3.690 5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.541 4.437 6.976 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.718 3.222 7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.019 2.761 7.269 1.00 0.00 H new ATOM 28 N GLY A 61 -3.300 4.410 4.650 1.00 0.00 N ATOM 29 CA GLY A 61 -2.113 4.721 3.893 1.00 0.00 C ATOM 30 C GLY A 61 -1.385 5.791 4.690 1.00 0.00 C ATOM 31 O GLY A 61 -1.168 6.909 4.225 1.00 0.00 O ATOM 0 H GLY A 61 -3.576 5.145 5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.489 3.837 3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.368 5.081 2.896 1.00 0.00 H new ATOM 35 N GLY A 62 -1.054 5.462 5.945 1.00 0.00 N ATOM 36 CA GLY A 62 -0.403 6.388 6.867 1.00 0.00 C ATOM 37 C GLY A 62 0.935 6.862 6.309 1.00 0.00 C ATOM 38 O GLY A 62 1.286 8.035 6.440 1.00 0.00 O ATOM 0 H GLY A 62 -1.233 4.542 6.346 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.051 7.246 7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.248 5.900 7.829 1.00 0.00 H new ATOM 42 N ALA A 63 1.620 5.979 5.581 1.00 0.00 N ATOM 43 CA ALA A 63 2.894 6.232 4.918 1.00 0.00 C ATOM 44 C ALA A 63 2.715 6.015 3.431 1.00 0.00 C ATOM 45 O ALA A 63 2.859 4.897 2.953 1.00 0.00 O ATOM 46 CB ALA A 63 3.974 5.308 5.482 1.00 0.00 C ATOM 0 H ALA A 63 1.285 5.027 5.433 1.00 0.00 H new ATOM 0 HA ALA A 63 3.213 7.259 5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.921 5.506 4.980 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.086 5.489 6.551 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.686 4.270 5.318 1.00 0.00 H new ATOM 52 N TRP A 64 2.357 7.055 2.688 1.00 0.00 N ATOM 53 CA TRP A 64 2.042 6.928 1.281 1.00 0.00 C ATOM 54 C TRP A 64 2.477 8.201 0.576 1.00 0.00 C ATOM 55 O TRP A 64 2.739 9.223 1.221 1.00 0.00 O ATOM 56 CB TRP A 64 0.521 6.783 1.134 1.00 0.00 C ATOM 57 CG TRP A 64 -0.006 5.418 0.883 1.00 0.00 C ATOM 58 CD1 TRP A 64 0.061 4.356 1.714 1.00 0.00 C ATOM 59 CD2 TRP A 64 -0.714 4.948 -0.296 1.00 0.00 C ATOM 60 NE1 TRP A 64 -0.672 3.307 1.200 1.00 0.00 N ATOM 61 CE2 TRP A 64 -1.184 3.630 -0.036 1.00 0.00 C ATOM 62 CE3 TRP A 64 -0.979 5.491 -1.573 1.00 0.00 C ATOM 63 CZ2 TRP A 64 -1.964 2.934 -0.964 1.00 0.00 C ATOM 64 CZ3 TRP A 64 -1.671 4.753 -2.551 1.00 0.00 C ATOM 65 CH2 TRP A 64 -2.181 3.479 -2.243 1.00 0.00 C ATOM 0 H TRP A 64 2.279 8.006 3.048 1.00 0.00 H new ATOM 0 HA TRP A 64 2.548 6.063 0.852 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.055 7.164 2.043 1.00 0.00 H new ATOM 0 HB3 TRP A 64 0.197 7.427 0.316 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.608 4.332 2.645 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.815 2.414 1.671 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -0.644 6.492 -1.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.399 1.981 -0.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.811 5.165 -3.539 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.736 2.922 -2.984 1.00 0.00 H new ATOM 76 N GLY A 65 2.396 8.204 -0.747 1.00 0.00 N ATOM 77 CA GLY A 65 2.459 9.387 -1.575 1.00 0.00 C ATOM 78 C GLY A 65 3.914 9.711 -1.803 1.00 0.00 C ATOM 79 O GLY A 65 4.537 9.126 -2.688 1.00 0.00 O ATOM 0 H GLY A 65 2.280 7.347 -1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.952 9.216 -2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.953 10.221 -1.089 1.00 0.00 H new ATOM 83 N ARG A 66 4.472 10.550 -0.932 1.00 0.00 N ATOM 84 CA ARG A 66 5.887 10.889 -0.878 1.00 0.00 C ATOM 85 C ARG A 66 6.745 9.620 -0.847 1.00 0.00 C ATOM 86 O ARG A 66 7.677 9.517 -1.642 1.00 0.00 O ATOM 87 CB ARG A 66 6.046 11.818 0.330 1.00 0.00 C ATOM 88 CG ARG A 66 7.418 12.478 0.504 1.00 0.00 C ATOM 89 CD ARG A 66 7.341 13.477 1.675 1.00 0.00 C ATOM 90 NE ARG A 66 6.373 14.565 1.420 1.00 0.00 N ATOM 91 CZ ARG A 66 6.581 15.690 0.723 1.00 0.00 C ATOM 92 NH1 ARG A 66 7.755 15.965 0.164 1.00 0.00 N ATOM 93 NH2 ARG A 66 5.599 16.568 0.581 1.00 0.00 N ATOM 0 H ARG A 66 3.926 11.030 -0.217 1.00 0.00 H new ATOM 0 HA ARG A 66 6.242 11.412 -1.766 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.295 12.605 0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.824 11.247 1.232 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.178 11.722 0.701 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.709 12.992 -0.412 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.057 12.947 2.584 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.328 13.905 1.850 1.00 0.00 H new ATOM 0 HE ARG A 66 5.442 14.446 1.820 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.531 15.310 0.259 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.880 16.831 -0.360 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.688 16.386 1.002 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.754 17.425 0.051 1.00 0.00 H new ATOM 107 N LEU A 67 6.369 8.627 -0.027 1.00 0.00 N ATOM 108 CA LEU A 67 6.979 7.293 0.019 1.00 0.00 C ATOM 109 C LEU A 67 7.143 6.702 -1.383 1.00 0.00 C ATOM 110 O LEU A 67 8.237 6.292 -1.764 1.00 0.00 O ATOM 111 CB LEU A 67 6.144 6.343 0.912 1.00 0.00 C ATOM 112 CG LEU A 67 7.042 5.320 1.641 1.00 0.00 C ATOM 113 CD1 LEU A 67 7.687 5.991 2.856 1.00 0.00 C ATOM 114 CD2 LEU A 67 6.263 4.094 2.132 1.00 0.00 C ATOM 0 H LEU A 67 5.608 8.736 0.643 1.00 0.00 H new ATOM 0 HA LEU A 67 7.973 7.399 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.586 6.927 1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.412 5.816 0.300 1.00 0.00 H new ATOM 0 HG LEU A 67 7.789 4.983 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.322 5.272 3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.290 6.837 2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.909 6.342 3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.944 3.409 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.486 4.411 2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.805 3.589 1.281 1.00 0.00 H new ATOM 126 N ALA A 68 6.064 6.666 -2.169 1.00 0.00 N ATOM 127 CA ALA A 68 6.097 6.073 -3.495 1.00 0.00 C ATOM 128 C ALA A 68 6.728 7.010 -4.529 1.00 0.00 C ATOM 129 O ALA A 68 7.102 6.512 -5.584 1.00 0.00 O ATOM 130 CB ALA A 68 4.684 5.661 -3.927 1.00 0.00 C ATOM 0 H ALA A 68 5.155 7.044 -1.902 1.00 0.00 H new ATOM 0 HA ALA A 68 6.726 5.184 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.722 5.218 -4.922 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.285 4.933 -3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.039 6.539 -3.945 1.00 0.00 H new ATOM 136 N CYS A 69 6.912 8.313 -4.278 1.00 0.00 N ATOM 137 CA CYS A 69 7.592 9.204 -5.221 1.00 0.00 C ATOM 138 C CYS A 69 9.037 8.759 -5.410 1.00 0.00 C ATOM 139 O CYS A 69 9.539 8.726 -6.530 1.00 0.00 O ATOM 140 CB CYS A 69 7.578 10.656 -4.739 1.00 0.00 C ATOM 141 SG CYS A 69 5.884 11.262 -4.622 1.00 0.00 S ATOM 0 H CYS A 69 6.597 8.773 -3.424 1.00 0.00 H new ATOM 0 HA CYS A 69 7.054 9.149 -6.167 1.00 0.00 H new ATOM 0 HB2 CYS A 69 8.065 10.728 -3.766 1.00 0.00 H new ATOM 0 HB3 CYS A 69 8.148 11.280 -5.428 1.00 0.00 H new ATOM 0 HG CYS A 69 5.168 10.420 -3.938 1.00 0.00 H new ATOM 147 N TYR A 70 9.699 8.362 -4.324 1.00 0.00 N ATOM 148 CA TYR A 70 11.035 7.785 -4.373 1.00 0.00 C ATOM 149 C TYR A 70 11.064 6.482 -5.172 1.00 0.00 C ATOM 150 O TYR A 70 12.111 6.099 -5.684 1.00 0.00 O ATOM 151 CB TYR A 70 11.501 7.521 -2.946 1.00 0.00 C ATOM 152 CG TYR A 70 11.429 8.714 -2.013 1.00 0.00 C ATOM 153 CD1 TYR A 70 12.291 9.804 -2.198 1.00 0.00 C ATOM 154 CD2 TYR A 70 10.517 8.726 -0.941 1.00 0.00 C ATOM 155 CE1 TYR A 70 12.268 10.865 -1.282 1.00 0.00 C ATOM 156 CE2 TYR A 70 10.474 9.801 -0.038 1.00 0.00 C ATOM 157 CZ TYR A 70 11.376 10.873 -0.188 1.00 0.00 C ATOM 158 OH TYR A 70 11.370 11.914 0.692 1.00 0.00 O ATOM 0 H TYR A 70 9.318 8.434 -3.381 1.00 0.00 H new ATOM 0 HA TYR A 70 11.699 8.490 -4.874 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.898 6.715 -2.527 1.00 0.00 H new ATOM 0 HB3 TYR A 70 12.531 7.166 -2.977 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.967 9.826 -3.040 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.839 7.895 -0.811 1.00 0.00 H new ATOM 0 HE1 TYR A 70 12.947 11.694 -1.416 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.754 9.806 0.767 1.00 0.00 H new ATOM 0 HH TYR A 70 12.269 12.301 0.747 1.00 0.00 H new ATOM 168 N LEU A 71 9.923 5.796 -5.277 1.00 0.00 N ATOM 169 CA LEU A 71 9.796 4.517 -5.960 1.00 0.00 C ATOM 170 C LEU A 71 9.295 4.720 -7.392 1.00 0.00 C ATOM 171 O LEU A 71 9.290 3.771 -8.177 1.00 0.00 O ATOM 172 CB LEU A 71 8.887 3.564 -5.154 1.00 0.00 C ATOM 173 CG LEU A 71 9.517 2.881 -3.916 1.00 0.00 C ATOM 174 CD1 LEU A 71 10.546 3.697 -3.162 1.00 0.00 C ATOM 175 CD2 LEU A 71 8.442 2.349 -2.965 1.00 0.00 C ATOM 0 H LEU A 71 9.044 6.127 -4.878 1.00 0.00 H new ATOM 0 HA LEU A 71 10.779 4.050 -6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.013 4.126 -4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.530 2.785 -5.827 1.00 0.00 H new ATOM 0 HG LEU A 71 10.082 2.049 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.919 3.120 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.374 3.942 -3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.087 4.617 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.918 1.875 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.817 3.174 -2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.824 1.618 -3.487 1.00 0.00 H new ATOM 187 N GLU A 72 8.888 5.936 -7.762 1.00 0.00 N ATOM 188 CA GLU A 72 8.294 6.224 -9.060 1.00 0.00 C ATOM 189 C GLU A 72 9.379 6.282 -10.132 1.00 0.00 C ATOM 190 O GLU A 72 9.142 5.894 -11.272 1.00 0.00 O ATOM 191 CB GLU A 72 7.451 7.515 -8.975 1.00 0.00 C ATOM 192 CG GLU A 72 8.124 8.843 -9.381 1.00 0.00 C ATOM 193 CD GLU A 72 7.338 10.074 -8.902 1.00 0.00 C ATOM 194 OE1 GLU A 72 6.095 10.008 -8.746 1.00 0.00 O ATOM 195 OE2 GLU A 72 7.951 11.144 -8.675 1.00 0.00 O ATOM 0 H GLU A 72 8.964 6.755 -7.159 1.00 0.00 H new ATOM 0 HA GLU A 72 7.615 5.422 -9.349 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.570 7.381 -9.602 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.099 7.618 -7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.132 8.877 -8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.223 8.879 -10.466 1.00 0.00 H new ATOM 202 N PHE A 73 10.581 6.730 -9.763 1.00 0.00 N ATOM 203 CA PHE A 73 11.653 7.016 -10.703 1.00 0.00 C ATOM 204 C PHE A 73 12.426 5.747 -11.131 1.00 0.00 C ATOM 205 O PHE A 73 13.273 5.819 -12.025 1.00 0.00 O ATOM 206 CB PHE A 73 12.566 8.114 -10.099 1.00 0.00 C ATOM 207 CG PHE A 73 13.879 7.585 -9.567 1.00 0.00 C ATOM 208 CD1 PHE A 73 13.857 6.602 -8.565 1.00 0.00 C ATOM 209 CD2 PHE A 73 15.096 7.942 -10.179 1.00 0.00 C ATOM 210 CE1 PHE A 73 15.021 5.891 -8.266 1.00 0.00 C ATOM 211 CE2 PHE A 73 16.280 7.278 -9.819 1.00 0.00 C ATOM 212 CZ PHE A 73 16.236 6.233 -8.884 1.00 0.00 C ATOM 0 H PHE A 73 10.834 6.905 -8.791 1.00 0.00 H new ATOM 0 HA PHE A 73 11.223 7.394 -11.631 1.00 0.00 H new ATOM 0 HB2 PHE A 73 12.769 8.866 -10.862 1.00 0.00 H new ATOM 0 HB3 PHE A 73 12.032 8.615 -9.292 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.943 6.396 -8.027 1.00 0.00 H new ATOM 0 HD2 PHE A 73 15.119 8.724 -10.923 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.988 5.076 -7.558 1.00 0.00 H new ATOM 0 HE2 PHE A 73 17.221 7.571 -10.260 1.00 0.00 H new ATOM 0 HZ PHE A 73 17.137 5.691 -8.639 1.00 0.00 H new ATOM 222 N LEU A 74 12.171 4.617 -10.458 1.00 0.00 N ATOM 223 CA LEU A 74 12.881 3.347 -10.600 1.00 0.00 C ATOM 224 C LEU A 74 12.604 2.689 -11.958 1.00 0.00 C ATOM 225 O LEU A 74 11.632 3.035 -12.629 1.00 0.00 O ATOM 226 CB LEU A 74 12.361 2.374 -9.520 1.00 0.00 C ATOM 227 CG LEU A 74 13.219 2.021 -8.291 1.00 0.00 C ATOM 228 CD1 LEU A 74 14.732 2.093 -8.471 1.00 0.00 C ATOM 229 CD2 LEU A 74 12.735 2.747 -7.066 1.00 0.00 C ATOM 0 H LEU A 74 11.424 4.566 -9.765 1.00 0.00 H new ATOM 0 HA LEU A 74 13.948 3.550 -10.506 1.00 0.00 H new ATOM 0 HB2 LEU A 74 11.422 2.783 -9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 74 12.123 1.437 -10.023 1.00 0.00 H new ATOM 0 HG LEU A 74 13.060 0.952 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.223 1.823 -7.536 1.00 0.00 H new ATOM 0 HD12 LEU A 74 15.038 1.401 -9.255 1.00 0.00 H new ATOM 0 HD13 LEU A 74 15.017 3.107 -8.750 1.00 0.00 H new ATOM 0 HD21 LEU A 74 13.359 2.479 -6.214 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.793 3.822 -7.234 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.702 2.467 -6.861 1.00 0.00 H new ATOM 241 N LYS A 75 13.336 1.603 -12.259 1.00 0.00 N ATOM 242 CA LYS A 75 12.891 0.520 -13.147 1.00 0.00 C ATOM 243 C LYS A 75 13.210 -0.835 -12.531 1.00 0.00 C ATOM 244 O LYS A 75 13.929 -0.884 -11.535 1.00 0.00 O ATOM 245 CB LYS A 75 13.589 0.635 -14.520 1.00 0.00 C ATOM 246 CG LYS A 75 13.099 1.725 -15.491 1.00 0.00 C ATOM 247 CD LYS A 75 12.159 1.184 -16.581 1.00 0.00 C ATOM 248 CE LYS A 75 11.879 2.194 -17.700 1.00 0.00 C ATOM 249 NZ LYS A 75 12.973 2.302 -18.688 1.00 0.00 N ATOM 0 H LYS A 75 14.272 1.452 -11.883 1.00 0.00 H new ATOM 0 HA LYS A 75 11.813 0.608 -13.281 1.00 0.00 H new ATOM 0 HB2 LYS A 75 14.652 0.800 -14.342 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.496 -0.327 -15.024 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.582 2.501 -14.926 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.961 2.196 -15.964 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.597 0.285 -17.014 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.215 0.890 -16.123 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.962 1.907 -18.215 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.703 3.174 -17.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.717 3.001 -19.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.845 2.604 -18.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.128 1.377 -19.137 1.00 0.00 H new ATOM 263 N LYS A 76 12.682 -1.924 -13.117 1.00 0.00 N ATOM 264 CA LYS A 76 12.754 -3.311 -12.621 1.00 0.00 C ATOM 265 C LYS A 76 14.107 -3.645 -12.029 1.00 0.00 C ATOM 266 O LYS A 76 14.188 -4.211 -10.947 1.00 0.00 O ATOM 267 CB LYS A 76 12.486 -4.311 -13.767 1.00 0.00 C ATOM 268 CG LYS A 76 11.108 -4.970 -13.734 1.00 0.00 C ATOM 269 CD LYS A 76 9.956 -3.969 -13.806 1.00 0.00 C ATOM 270 CE LYS A 76 8.649 -4.752 -13.960 1.00 0.00 C ATOM 271 NZ LYS A 76 7.601 -3.912 -14.566 1.00 0.00 N ATOM 0 H LYS A 76 12.167 -1.858 -13.995 1.00 0.00 H new ATOM 0 HA LYS A 76 11.995 -3.393 -11.843 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.602 -3.791 -14.718 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.247 -5.091 -13.735 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.027 -5.667 -14.568 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.015 -5.555 -12.819 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.928 -3.357 -12.905 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.094 -3.291 -14.648 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.819 -5.632 -14.580 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.317 -5.108 -12.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.725 -4.464 -14.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.426 -3.085 -13.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.912 -3.593 -15.506 1.00 0.00 H new ATOM 285 N GLU A 77 15.159 -3.301 -12.753 1.00 0.00 N ATOM 286 CA GLU A 77 16.528 -3.725 -12.496 1.00 0.00 C ATOM 287 C GLU A 77 17.032 -3.256 -11.133 1.00 0.00 C ATOM 288 O GLU A 77 18.014 -3.793 -10.630 1.00 0.00 O ATOM 289 CB GLU A 77 17.379 -3.188 -13.652 1.00 0.00 C ATOM 290 CG GLU A 77 16.949 -3.903 -14.944 1.00 0.00 C ATOM 291 CD GLU A 77 17.550 -3.321 -16.213 1.00 0.00 C ATOM 292 OE1 GLU A 77 17.802 -2.100 -16.299 1.00 0.00 O ATOM 293 OE2 GLU A 77 17.636 -4.074 -17.208 1.00 0.00 O ATOM 0 H GLU A 77 15.081 -2.694 -13.569 1.00 0.00 H new ATOM 0 HA GLU A 77 16.591 -4.812 -12.452 1.00 0.00 H new ATOM 0 HB2 GLU A 77 17.246 -2.111 -13.752 1.00 0.00 H new ATOM 0 HB3 GLU A 77 18.437 -3.362 -13.457 1.00 0.00 H new ATOM 0 HG2 GLU A 77 17.228 -4.954 -14.873 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.862 -3.866 -15.021 1.00 0.00 H new ATOM 300 N GLU A 78 16.357 -2.283 -10.514 1.00 0.00 N ATOM 301 CA GLU A 78 16.705 -1.773 -9.210 1.00 0.00 C ATOM 302 C GLU A 78 15.462 -1.709 -8.311 1.00 0.00 C ATOM 303 O GLU A 78 15.578 -1.827 -7.102 1.00 0.00 O ATOM 304 CB GLU A 78 17.361 -0.393 -9.439 1.00 0.00 C ATOM 305 CG GLU A 78 18.717 -0.452 -10.173 1.00 0.00 C ATOM 306 CD GLU A 78 19.267 0.910 -10.627 1.00 0.00 C ATOM 307 OE1 GLU A 78 18.530 1.917 -10.690 1.00 0.00 O ATOM 308 OE2 GLU A 78 20.476 0.986 -10.959 1.00 0.00 O ATOM 0 H GLU A 78 15.541 -1.828 -10.923 1.00 0.00 H new ATOM 0 HA GLU A 78 17.406 -2.424 -8.688 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.677 0.232 -10.013 1.00 0.00 H new ATOM 0 HB3 GLU A 78 17.504 0.094 -8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.449 -0.922 -9.516 1.00 0.00 H new ATOM 0 HG3 GLU A 78 18.613 -1.095 -11.047 1.00 0.00 H new ATOM 315 N LEU A 79 14.252 -1.625 -8.870 1.00 0.00 N ATOM 316 CA LEU A 79 12.980 -1.694 -8.148 1.00 0.00 C ATOM 317 C LEU A 79 12.734 -3.086 -7.561 1.00 0.00 C ATOM 318 O LEU A 79 12.177 -3.248 -6.472 1.00 0.00 O ATOM 319 CB LEU A 79 11.843 -1.372 -9.142 1.00 0.00 C ATOM 320 CG LEU A 79 10.452 -1.212 -8.503 1.00 0.00 C ATOM 321 CD1 LEU A 79 10.333 -0.019 -7.547 1.00 0.00 C ATOM 322 CD2 LEU A 79 9.456 -1.102 -9.660 1.00 0.00 C ATOM 0 H LEU A 79 14.127 -1.503 -9.875 1.00 0.00 H new ATOM 0 HA LEU A 79 13.011 -0.980 -7.325 1.00 0.00 H new ATOM 0 HB2 LEU A 79 12.092 -0.452 -9.671 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.796 -2.166 -9.887 1.00 0.00 H new ATOM 0 HG LEU A 79 10.249 -2.075 -7.869 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.323 0.022 -7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.048 -0.133 -6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.544 0.903 -8.088 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.448 -0.986 -9.262 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.706 -0.237 -10.274 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.504 -2.005 -10.269 1.00 0.00 H new ATOM 334 N LYS A 80 13.070 -4.105 -8.345 1.00 0.00 N ATOM 335 CA LYS A 80 12.944 -5.510 -7.968 1.00 0.00 C ATOM 336 C LYS A 80 14.032 -5.784 -6.964 1.00 0.00 C ATOM 337 O LYS A 80 13.705 -6.213 -5.866 1.00 0.00 O ATOM 338 CB LYS A 80 12.993 -6.406 -9.220 1.00 0.00 C ATOM 339 CG LYS A 80 12.397 -7.818 -9.080 1.00 0.00 C ATOM 340 CD LYS A 80 13.284 -8.835 -8.351 1.00 0.00 C ATOM 341 CE LYS A 80 12.836 -9.105 -6.915 1.00 0.00 C ATOM 342 NZ LYS A 80 11.641 -9.958 -6.805 1.00 0.00 N ATOM 0 H LYS A 80 13.447 -3.974 -9.284 1.00 0.00 H new ATOM 0 HA LYS A 80 11.983 -5.737 -7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.469 -5.893 -10.027 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.034 -6.504 -9.528 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.448 -7.743 -8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.176 -8.202 -10.076 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.283 -9.772 -8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.311 -8.471 -8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.656 -9.576 -6.373 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.635 -8.153 -6.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.986 -9.549 -6.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.170 -10.017 -7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.922 -10.911 -6.499 1.00 0.00 H new ATOM 356 N GLU A 81 15.283 -5.483 -7.294 1.00 0.00 N ATOM 357 CA GLU A 81 16.394 -5.676 -6.374 1.00 0.00 C ATOM 358 C GLU A 81 16.164 -4.942 -5.062 1.00 0.00 C ATOM 359 O GLU A 81 16.423 -5.537 -4.029 1.00 0.00 O ATOM 360 CB GLU A 81 17.711 -5.268 -7.027 1.00 0.00 C ATOM 361 CG GLU A 81 18.285 -6.371 -7.919 1.00 0.00 C ATOM 362 CD GLU A 81 17.260 -7.272 -8.637 1.00 0.00 C ATOM 363 OE1 GLU A 81 16.710 -6.898 -9.705 1.00 0.00 O ATOM 364 OE2 GLU A 81 17.004 -8.399 -8.161 1.00 0.00 O ATOM 0 H GLU A 81 15.553 -5.101 -8.201 1.00 0.00 H new ATOM 0 HA GLU A 81 16.456 -6.738 -6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.555 -4.368 -7.621 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.435 -5.017 -6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 81 18.919 -5.905 -8.674 1.00 0.00 H new ATOM 0 HG3 GLU A 81 18.929 -7.004 -7.309 1.00 0.00 H new ATOM 371 N PHE A 82 15.594 -3.734 -5.055 1.00 0.00 N ATOM 372 CA PHE A 82 15.207 -3.061 -3.823 1.00 0.00 C ATOM 373 C PHE A 82 14.330 -3.978 -2.979 1.00 0.00 C ATOM 374 O PHE A 82 14.691 -4.309 -1.852 1.00 0.00 O ATOM 375 CB PHE A 82 14.489 -1.733 -4.110 1.00 0.00 C ATOM 376 CG PHE A 82 14.202 -0.939 -2.854 1.00 0.00 C ATOM 377 CD1 PHE A 82 13.020 -1.157 -2.118 1.00 0.00 C ATOM 378 CD2 PHE A 82 15.156 -0.017 -2.390 1.00 0.00 C ATOM 379 CE1 PHE A 82 12.785 -0.429 -0.938 1.00 0.00 C ATOM 380 CE2 PHE A 82 14.917 0.708 -1.215 1.00 0.00 C ATOM 381 CZ PHE A 82 13.722 0.527 -0.515 1.00 0.00 C ATOM 0 H PHE A 82 15.391 -3.202 -5.901 1.00 0.00 H new ATOM 0 HA PHE A 82 16.113 -2.828 -3.264 1.00 0.00 H new ATOM 0 HB2 PHE A 82 15.101 -1.132 -4.782 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.552 -1.936 -4.628 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.296 -1.882 -2.460 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.074 0.133 -2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 82 11.889 -0.604 -0.361 1.00 0.00 H new ATOM 0 HE2 PHE A 82 15.656 1.406 -0.851 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.517 1.127 0.359 1.00 0.00 H new ATOM 391 N GLN A 83 13.166 -4.388 -3.499 1.00 0.00 N ATOM 392 CA GLN A 83 12.228 -5.169 -2.702 1.00 0.00 C ATOM 393 C GLN A 83 12.768 -6.575 -2.377 1.00 0.00 C ATOM 394 O GLN A 83 12.396 -7.130 -1.339 1.00 0.00 O ATOM 395 CB GLN A 83 10.803 -5.094 -3.291 1.00 0.00 C ATOM 396 CG GLN A 83 10.441 -5.944 -4.518 1.00 0.00 C ATOM 397 CD GLN A 83 10.185 -7.419 -4.215 1.00 0.00 C ATOM 398 OE1 GLN A 83 10.743 -8.282 -4.875 1.00 0.00 O ATOM 399 NE2 GLN A 83 9.323 -7.755 -3.267 1.00 0.00 N ATOM 0 H GLN A 83 12.860 -4.193 -4.452 1.00 0.00 H new ATOM 0 HA GLN A 83 12.130 -4.717 -1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.107 -5.359 -2.495 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.611 -4.052 -3.548 1.00 0.00 H new ATOM 0 HG2 GLN A 83 9.551 -5.523 -4.986 1.00 0.00 H new ATOM 0 HG3 GLN A 83 11.249 -5.871 -5.246 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.860 -7.030 -2.719 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.122 -8.738 -3.085 1.00 0.00 H new ATOM 408 N LEU A 84 13.683 -7.103 -3.194 1.00 0.00 N ATOM 409 CA LEU A 84 14.419 -8.330 -3.004 1.00 0.00 C ATOM 410 C LEU A 84 15.374 -8.171 -1.827 1.00 0.00 C ATOM 411 O LEU A 84 15.144 -8.761 -0.778 1.00 0.00 O ATOM 412 CB LEU A 84 15.165 -8.651 -4.315 1.00 0.00 C ATOM 413 CG LEU A 84 15.480 -10.139 -4.454 1.00 0.00 C ATOM 414 CD1 LEU A 84 16.182 -10.396 -5.787 1.00 0.00 C ATOM 415 CD2 LEU A 84 16.371 -10.649 -3.324 1.00 0.00 C ATOM 0 H LEU A 84 13.939 -6.640 -4.066 1.00 0.00 H new ATOM 0 HA LEU A 84 13.751 -9.160 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 84 14.560 -8.329 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.093 -8.081 -4.351 1.00 0.00 H new ATOM 0 HG LEU A 84 14.532 -10.674 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.405 -11.459 -5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.532 -10.087 -6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.110 -9.826 -5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 84 16.567 -11.712 -3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 84 17.314 -10.102 -3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.869 -10.498 -2.368 1.00 0.00 H new ATOM 427 N LEU A 85 16.438 -7.382 -1.992 1.00 0.00 N ATOM 428 CA LEU A 85 17.515 -7.156 -1.034 1.00 0.00 C ATOM 429 C LEU A 85 16.935 -6.812 0.340 1.00 0.00 C ATOM 430 O LEU A 85 17.340 -7.418 1.335 1.00 0.00 O ATOM 431 CB LEU A 85 18.460 -6.065 -1.583 1.00 0.00 C ATOM 432 CG LEU A 85 19.220 -6.490 -2.864 1.00 0.00 C ATOM 433 CD1 LEU A 85 19.895 -5.311 -3.570 1.00 0.00 C ATOM 434 CD2 LEU A 85 20.290 -7.537 -2.575 1.00 0.00 C ATOM 0 H LEU A 85 16.576 -6.852 -2.853 1.00 0.00 H new ATOM 0 HA LEU A 85 18.105 -8.063 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.880 -5.167 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.184 -5.801 -0.812 1.00 0.00 H new ATOM 0 HG LEU A 85 18.454 -6.910 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 85 20.412 -5.668 -4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.141 -4.579 -3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 85 20.613 -4.846 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 85 20.797 -7.805 -3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 85 21.015 -7.131 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.824 -8.425 -2.147 1.00 0.00 H new ATOM 446 N LEU A 86 15.915 -5.947 0.376 1.00 0.00 N ATOM 447 CA LEU A 86 15.051 -5.672 1.515 1.00 0.00 C ATOM 448 C LEU A 86 14.603 -6.961 2.198 1.00 0.00 C ATOM 449 O LEU A 86 14.963 -7.206 3.347 1.00 0.00 O ATOM 450 CB LEU A 86 13.860 -4.842 1.001 1.00 0.00 C ATOM 451 CG LEU A 86 12.602 -4.743 1.871 1.00 0.00 C ATOM 452 CD1 LEU A 86 12.914 -4.311 3.294 1.00 0.00 C ATOM 453 CD2 LEU A 86 11.658 -3.718 1.235 1.00 0.00 C ATOM 0 H LEU A 86 15.661 -5.391 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 86 15.590 -5.109 2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.217 -3.828 0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.563 -5.252 0.036 1.00 0.00 H new ATOM 0 HG LEU A 86 12.146 -5.732 1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.989 -4.256 3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.586 -5.035 3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 86 13.391 -3.331 3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.755 -3.632 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.154 -2.749 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.392 -4.043 0.229 1.00 0.00 H new ATOM 465 N ALA A 87 13.788 -7.772 1.527 1.00 0.00 N ATOM 466 CA ALA A 87 13.182 -8.955 2.119 1.00 0.00 C ATOM 467 C ALA A 87 14.159 -10.144 2.202 1.00 0.00 C ATOM 468 O ALA A 87 13.758 -11.220 2.640 1.00 0.00 O ATOM 469 CB ALA A 87 11.957 -9.344 1.278 1.00 0.00 C ATOM 0 H ALA A 87 13.530 -7.623 0.551 1.00 0.00 H new ATOM 0 HA ALA A 87 12.895 -8.714 3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.488 -10.230 1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.242 -8.521 1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.270 -9.557 0.256 1.00 0.00 H new ATOM 475 N ASN A 88 15.403 -9.984 1.759 1.00 0.00 N ATOM 476 CA ASN A 88 16.453 -10.998 1.831 1.00 0.00 C ATOM 477 C ASN A 88 17.269 -10.791 3.110 1.00 0.00 C ATOM 478 O ASN A 88 17.630 -11.750 3.799 1.00 0.00 O ATOM 479 CB ASN A 88 17.312 -10.894 0.562 1.00 0.00 C ATOM 480 CG ASN A 88 18.443 -11.908 0.488 1.00 0.00 C ATOM 481 OD1 ASN A 88 18.448 -12.933 1.161 1.00 0.00 O ATOM 482 ND2 ASN A 88 19.457 -11.625 -0.313 1.00 0.00 N ATOM 0 H ASN A 88 15.719 -9.117 1.326 1.00 0.00 H new ATOM 0 HA ASN A 88 16.034 -12.003 1.876 1.00 0.00 H new ATOM 0 HB2 ASN A 88 16.669 -11.020 -0.309 1.00 0.00 H new ATOM 0 HB3 ASN A 88 17.734 -9.891 0.504 1.00 0.00 H new ATOM 0 HD21 ASN A 88 20.251 -12.262 -0.374 1.00 0.00 H new ATOM 0 HD22 ASN A 88 19.444 -10.770 -0.869 1.00 0.00 H new ATOM 489 N LYS A 89 17.521 -9.525 3.466 1.00 0.00 N ATOM 490 CA LYS A 89 17.973 -9.099 4.780 1.00 0.00 C ATOM 491 C LYS A 89 16.857 -9.408 5.780 1.00 0.00 C ATOM 492 O LYS A 89 17.070 -10.165 6.727 1.00 0.00 O ATOM 493 CB LYS A 89 18.333 -7.594 4.684 1.00 0.00 C ATOM 494 CG LYS A 89 18.310 -6.790 5.992 1.00 0.00 C ATOM 495 CD LYS A 89 19.395 -7.169 7.011 1.00 0.00 C ATOM 496 CE LYS A 89 20.734 -6.558 6.589 1.00 0.00 C ATOM 497 NZ LYS A 89 21.852 -6.933 7.489 1.00 0.00 N ATOM 0 H LYS A 89 17.409 -8.747 2.816 1.00 0.00 H new ATOM 0 HA LYS A 89 18.864 -9.623 5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 89 19.330 -7.511 4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.642 -7.124 3.984 1.00 0.00 H new ATOM 0 HG2 LYS A 89 18.414 -5.732 5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 89 17.334 -6.916 6.460 1.00 0.00 H new ATOM 0 HD2 LYS A 89 19.117 -6.811 8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 89 19.483 -8.253 7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 89 20.969 -6.878 5.574 1.00 0.00 H new ATOM 0 HE3 LYS A 89 20.641 -5.472 6.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 22.731 -6.490 7.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 21.646 -6.605 8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 21.964 -7.967 7.491 1.00 0.00 H new ATOM 511 N ALA A 90 15.689 -8.793 5.601 1.00 0.00 N ATOM 512 CA ALA A 90 14.646 -8.756 6.609 1.00 0.00 C ATOM 513 C ALA A 90 13.885 -10.074 6.701 1.00 0.00 C ATOM 514 O ALA A 90 13.795 -10.803 5.718 1.00 0.00 O ATOM 515 CB ALA A 90 13.661 -7.660 6.253 1.00 0.00 C ATOM 0 H ALA A 90 15.444 -8.303 4.741 1.00 0.00 H new ATOM 0 HA ALA A 90 15.122 -8.571 7.572 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.872 -7.622 7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.179 -6.701 6.222 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.223 -7.867 5.277 1.00 0.00 H new ATOM 521 N HIS A 91 13.212 -10.286 7.834 1.00 0.00 N ATOM 522 CA HIS A 91 12.691 -11.519 8.427 1.00 0.00 C ATOM 523 C HIS A 91 13.711 -12.045 9.446 1.00 0.00 C ATOM 524 O HIS A 91 14.695 -11.372 9.774 1.00 0.00 O ATOM 525 CB HIS A 91 12.243 -12.597 7.410 1.00 0.00 C ATOM 526 CG HIS A 91 13.325 -13.484 6.821 1.00 0.00 C ATOM 527 ND1 HIS A 91 14.682 -13.306 6.902 1.00 0.00 N flip ATOM 528 CD2 HIS A 91 13.104 -14.634 6.096 1.00 0.00 C flip ATOM 529 CE1 HIS A 91 15.293 -14.388 6.259 1.00 0.00 C flip ATOM 530 NE2 HIS A 91 14.301 -15.148 5.765 1.00 0.00 N flip ATOM 0 H HIS A 91 12.991 -9.492 8.435 1.00 0.00 H new ATOM 0 HA HIS A 91 11.759 -11.268 8.934 1.00 0.00 H new ATOM 0 HB2 HIS A 91 11.509 -13.238 7.898 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.732 -12.095 6.588 1.00 0.00 H new ATOM 0 HD2 HIS A 91 12.140 -15.049 5.839 1.00 0.00 H new ATOM 0 HE1 HIS A 91 16.353 -14.576 6.176 1.00 0.00 H new ATOM 0 HE2 HIS A 91 14.437 -15.996 5.216 1.00 0.00 H new ATOM 538 N SER A 92 13.453 -13.248 9.950 1.00 0.00 N ATOM 539 CA SER A 92 14.260 -14.047 10.857 1.00 0.00 C ATOM 540 C SER A 92 13.333 -15.143 11.345 1.00 0.00 C ATOM 541 O SER A 92 12.340 -14.839 12.013 1.00 0.00 O ATOM 542 CB SER A 92 14.777 -13.216 12.034 1.00 0.00 C ATOM 543 OG SER A 92 16.100 -12.777 11.806 1.00 0.00 O ATOM 0 H SER A 92 12.588 -13.732 9.708 1.00 0.00 H new ATOM 0 HA SER A 92 15.145 -14.442 10.359 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.127 -12.355 12.188 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.740 -13.811 12.947 1.00 0.00 H new ATOM 0 HG SER A 92 16.112 -12.154 11.049 1.00 0.00 H new ATOM 549 N ARG A 93 13.564 -16.390 10.939 1.00 0.00 N ATOM 550 CA ARG A 93 12.849 -17.522 11.505 1.00 0.00 C ATOM 551 C ARG A 93 13.719 -18.760 11.376 1.00 0.00 C ATOM 552 O ARG A 93 14.285 -19.200 12.374 1.00 0.00 O ATOM 553 CB ARG A 93 11.449 -17.668 10.861 1.00 0.00 C ATOM 554 CG ARG A 93 10.431 -18.173 11.886 1.00 0.00 C ATOM 555 CD ARG A 93 9.997 -17.032 12.813 1.00 0.00 C ATOM 556 NE ARG A 93 9.199 -17.535 13.936 1.00 0.00 N ATOM 557 CZ ARG A 93 9.699 -18.066 15.059 1.00 0.00 C ATOM 558 NH1 ARG A 93 10.978 -17.926 15.380 1.00 0.00 N ATOM 559 NH2 ARG A 93 8.904 -18.760 15.862 1.00 0.00 N ATOM 0 H ARG A 93 14.243 -16.638 10.219 1.00 0.00 H new ATOM 0 HA ARG A 93 12.658 -17.366 12.567 1.00 0.00 H new ATOM 0 HB2 ARG A 93 11.125 -16.707 10.462 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.500 -18.360 10.021 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.562 -18.584 11.373 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.867 -18.982 12.473 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.877 -16.514 13.193 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.416 -16.302 12.249 1.00 0.00 H new ATOM 0 HE ARG A 93 8.184 -17.476 13.855 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.604 -17.405 14.766 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.336 -18.340 16.241 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.921 -18.886 15.622 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.276 -19.168 16.720 1.00 0.00 H new ATOM 573 N SER A 94 13.821 -19.284 10.158 1.00 0.00 N ATOM 574 CA SER A 94 14.619 -20.427 9.751 1.00 0.00 C ATOM 575 C SER A 94 14.487 -20.543 8.227 1.00 0.00 C ATOM 576 O SER A 94 15.496 -20.680 7.549 1.00 0.00 O ATOM 577 CB SER A 94 14.156 -21.708 10.474 1.00 0.00 C ATOM 578 OG SER A 94 15.179 -22.682 10.477 1.00 0.00 O ATOM 0 H SER A 94 13.306 -18.887 9.372 1.00 0.00 H new ATOM 0 HA SER A 94 15.666 -20.294 10.024 1.00 0.00 H new ATOM 0 HB2 SER A 94 13.872 -21.470 11.499 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.269 -22.108 9.982 1.00 0.00 H new ATOM 0 HG SER A 94 14.865 -23.485 10.942 1.00 0.00 H new ATOM 584 N SER A 95 13.258 -20.433 7.690 1.00 0.00 N ATOM 585 CA SER A 95 12.912 -20.547 6.271 1.00 0.00 C ATOM 586 C SER A 95 12.940 -22.016 5.838 1.00 0.00 C ATOM 587 O SER A 95 13.971 -22.684 5.935 1.00 0.00 O ATOM 588 CB SER A 95 13.814 -19.654 5.400 1.00 0.00 C ATOM 589 OG SER A 95 13.129 -19.254 4.229 1.00 0.00 O ATOM 0 H SER A 95 12.439 -20.252 8.270 1.00 0.00 H new ATOM 0 HA SER A 95 11.895 -20.183 6.126 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.123 -18.775 5.966 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.721 -20.195 5.131 1.00 0.00 H new ATOM 0 HG SER A 95 13.714 -18.685 3.686 1.00 0.00 H new ATOM 595 N SER A 96 11.801 -22.557 5.399 1.00 0.00 N ATOM 596 CA SER A 96 11.724 -23.928 4.903 1.00 0.00 C ATOM 597 C SER A 96 12.529 -24.058 3.610 1.00 0.00 C ATOM 598 O SER A 96 13.215 -25.063 3.409 1.00 0.00 O ATOM 599 CB SER A 96 10.254 -24.335 4.721 1.00 0.00 C ATOM 600 OG SER A 96 9.572 -24.164 5.961 1.00 0.00 O ATOM 0 H SER A 96 10.912 -22.058 5.378 1.00 0.00 H new ATOM 0 HA SER A 96 12.163 -24.613 5.629 1.00 0.00 H new ATOM 0 HB2 SER A 96 9.787 -23.726 3.947 1.00 0.00 H new ATOM 0 HB3 SER A 96 10.188 -25.373 4.394 1.00 0.00 H new ATOM 0 HG SER A 96 8.632 -24.420 5.855 1.00 0.00 H new ATOM 606 N GLY A 97 12.538 -23.005 2.791 1.00 0.00 N ATOM 607 CA GLY A 97 13.162 -23.029 1.481 1.00 0.00 C ATOM 608 C GLY A 97 12.213 -23.725 0.518 1.00 0.00 C ATOM 609 O GLY A 97 12.542 -24.766 -0.051 1.00 0.00 O ATOM 0 H GLY A 97 12.108 -22.110 3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.373 -22.015 1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 97 14.115 -23.556 1.523 1.00 0.00 H new ATOM 613 N GLU A 98 11.004 -23.179 0.385 1.00 0.00 N ATOM 614 CA GLU A 98 10.106 -23.479 -0.724 1.00 0.00 C ATOM 615 C GLU A 98 10.755 -22.991 -2.028 1.00 0.00 C ATOM 616 O GLU A 98 11.670 -22.154 -1.989 1.00 0.00 O ATOM 617 CB GLU A 98 8.769 -22.764 -0.474 1.00 0.00 C ATOM 618 CG GLU A 98 7.570 -23.704 -0.546 1.00 0.00 C ATOM 619 CD GLU A 98 6.295 -22.872 -0.430 1.00 0.00 C ATOM 620 OE1 GLU A 98 5.863 -22.290 -1.440 1.00 0.00 O ATOM 621 OE2 GLU A 98 5.801 -22.697 0.713 1.00 0.00 O ATOM 0 H GLU A 98 10.619 -22.510 1.052 1.00 0.00 H new ATOM 0 HA GLU A 98 9.924 -24.551 -0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.794 -22.290 0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.645 -21.969 -1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.578 -24.257 -1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.617 -24.440 0.257 1.00 0.00 H new ATOM 628 N THR A 99 10.265 -23.451 -3.180 1.00 0.00 N ATOM 629 CA THR A 99 10.780 -23.036 -4.476 1.00 0.00 C ATOM 630 C THR A 99 10.659 -21.513 -4.669 1.00 0.00 C ATOM 631 O THR A 99 9.820 -20.872 -4.026 1.00 0.00 O ATOM 632 CB THR A 99 10.063 -23.830 -5.585 1.00 0.00 C ATOM 633 OG1 THR A 99 8.695 -24.085 -5.294 1.00 0.00 O ATOM 634 CG2 THR A 99 10.748 -25.184 -5.787 1.00 0.00 C ATOM 0 H THR A 99 9.499 -24.122 -3.236 1.00 0.00 H new ATOM 0 HA THR A 99 11.845 -23.260 -4.530 1.00 0.00 H new ATOM 0 HB THR A 99 10.119 -23.210 -6.480 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.292 -24.589 -6.032 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.234 -25.738 -6.573 1.00 0.00 H new ATOM 0 HG22 THR A 99 11.788 -25.027 -6.074 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.711 -25.753 -4.858 1.00 0.00 H new ATOM 642 N PRO A 100 11.499 -20.903 -5.524 1.00 0.00 N ATOM 643 CA PRO A 100 11.460 -19.464 -5.716 1.00 0.00 C ATOM 644 C PRO A 100 10.235 -19.091 -6.550 1.00 0.00 C ATOM 645 O PRO A 100 9.797 -19.859 -7.416 1.00 0.00 O ATOM 646 CB PRO A 100 12.770 -19.124 -6.436 1.00 0.00 C ATOM 647 CG PRO A 100 13.102 -20.402 -7.208 1.00 0.00 C ATOM 648 CD PRO A 100 12.574 -21.508 -6.296 1.00 0.00 C ATOM 0 HA PRO A 100 11.376 -18.909 -4.782 1.00 0.00 H new ATOM 0 HB2 PRO A 100 12.650 -18.272 -7.105 1.00 0.00 H new ATOM 0 HB3 PRO A 100 13.560 -18.866 -5.730 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.618 -20.420 -8.184 1.00 0.00 H new ATOM 0 HG3 PRO A 100 14.174 -20.501 -7.382 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.209 -22.354 -6.878 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.361 -21.885 -5.643 1.00 0.00 H new ATOM 656 N ALA A 101 9.748 -17.867 -6.383 1.00 0.00 N ATOM 657 CA ALA A 101 8.610 -17.300 -7.092 1.00 0.00 C ATOM 658 C ALA A 101 8.802 -15.791 -7.184 1.00 0.00 C ATOM 659 O ALA A 101 9.817 -15.256 -6.727 1.00 0.00 O ATOM 660 CB ALA A 101 7.305 -17.690 -6.382 1.00 0.00 C ATOM 0 H ALA A 101 10.157 -17.212 -5.717 1.00 0.00 H new ATOM 0 HA ALA A 101 8.544 -17.695 -8.106 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.457 -17.262 -6.918 1.00 0.00 H new ATOM 0 HB2 ALA A 101 7.212 -18.776 -6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 101 7.318 -17.309 -5.361 1.00 0.00 H new ATOM 666 N GLN A 102 7.859 -15.091 -7.811 1.00 0.00 N ATOM 667 CA GLN A 102 7.924 -13.654 -7.988 1.00 0.00 C ATOM 668 C GLN A 102 6.656 -13.019 -7.397 1.00 0.00 C ATOM 669 O GLN A 102 5.558 -13.553 -7.578 1.00 0.00 O ATOM 670 CB GLN A 102 8.083 -13.308 -9.469 1.00 0.00 C ATOM 671 CG GLN A 102 9.345 -13.899 -10.124 1.00 0.00 C ATOM 672 CD GLN A 102 9.331 -13.741 -11.643 1.00 0.00 C ATOM 673 OE1 GLN A 102 9.943 -12.828 -12.205 1.00 0.00 O ATOM 674 NE2 GLN A 102 8.675 -14.640 -12.358 1.00 0.00 N ATOM 0 H GLN A 102 7.023 -15.516 -8.212 1.00 0.00 H new ATOM 0 HA GLN A 102 8.793 -13.255 -7.464 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.206 -13.664 -10.010 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.105 -12.224 -9.577 1.00 0.00 H new ATOM 0 HG2 GLN A 102 10.228 -13.407 -9.717 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.423 -14.956 -9.871 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.170 -15.393 -11.891 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.674 -14.580 -13.376 1.00 0.00 H new ATOM 683 N PRO A 103 6.794 -11.886 -6.695 1.00 0.00 N ATOM 684 CA PRO A 103 5.686 -11.161 -6.106 1.00 0.00 C ATOM 685 C PRO A 103 4.935 -10.375 -7.176 1.00 0.00 C ATOM 686 O PRO A 103 5.535 -9.757 -8.059 1.00 0.00 O ATOM 687 CB PRO A 103 6.326 -10.223 -5.086 1.00 0.00 C ATOM 688 CG PRO A 103 7.702 -9.926 -5.686 1.00 0.00 C ATOM 689 CD PRO A 103 8.047 -11.202 -6.449 1.00 0.00 C ATOM 0 HA PRO A 103 4.957 -11.825 -5.642 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.740 -9.313 -4.955 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.409 -10.692 -4.106 1.00 0.00 H new ATOM 0 HG2 PRO A 103 7.672 -9.060 -6.347 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.438 -9.711 -4.912 1.00 0.00 H new ATOM 0 HD2 PRO A 103 8.552 -10.969 -7.386 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.724 -11.829 -5.869 1.00 0.00 H new ATOM 697 N GLU A 104 3.619 -10.323 -7.046 1.00 0.00 N ATOM 698 CA GLU A 104 2.721 -9.703 -8.017 1.00 0.00 C ATOM 699 C GLU A 104 2.505 -8.208 -7.733 1.00 0.00 C ATOM 700 O GLU A 104 1.376 -7.719 -7.738 1.00 0.00 O ATOM 701 CB GLU A 104 1.409 -10.495 -8.083 1.00 0.00 C ATOM 702 CG GLU A 104 0.671 -10.562 -6.737 1.00 0.00 C ATOM 703 CD GLU A 104 -0.835 -10.346 -6.859 1.00 0.00 C ATOM 704 OE1 GLU A 104 -1.457 -10.801 -7.848 1.00 0.00 O ATOM 705 OE2 GLU A 104 -1.433 -9.817 -5.899 1.00 0.00 O ATOM 0 H GLU A 104 3.130 -10.720 -6.244 1.00 0.00 H new ATOM 0 HA GLU A 104 3.186 -9.742 -9.002 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.755 -10.039 -8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.621 -11.508 -8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.855 -11.534 -6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.085 -9.809 -6.066 1.00 0.00 H new ATOM 712 N LYS A 105 3.576 -7.458 -7.458 1.00 0.00 N ATOM 713 CA LYS A 105 3.526 -5.998 -7.392 1.00 0.00 C ATOM 714 C LYS A 105 4.749 -5.412 -8.073 1.00 0.00 C ATOM 715 O LYS A 105 5.820 -5.322 -7.468 1.00 0.00 O ATOM 716 CB LYS A 105 3.295 -5.435 -5.973 1.00 0.00 C ATOM 717 CG LYS A 105 4.030 -6.096 -4.790 1.00 0.00 C ATOM 718 CD LYS A 105 3.201 -7.229 -4.163 1.00 0.00 C ATOM 719 CE LYS A 105 3.748 -7.630 -2.786 1.00 0.00 C ATOM 720 NZ LYS A 105 2.840 -8.572 -2.098 1.00 0.00 N ATOM 0 H LYS A 105 4.501 -7.847 -7.275 1.00 0.00 H new ATOM 0 HA LYS A 105 2.638 -5.680 -7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 105 3.570 -4.380 -5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 105 2.226 -5.483 -5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 105 4.986 -6.492 -5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.249 -5.344 -4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 105 2.163 -6.911 -4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 105 3.207 -8.095 -4.825 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.730 -8.088 -2.902 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.883 -6.739 -2.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 2.856 -8.385 -1.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 1.872 -8.447 -2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 3.152 -9.548 -2.276 1.00 0.00 H new ATOM 734 N THR A 106 4.597 -4.995 -9.325 1.00 0.00 N ATOM 735 CA THR A 106 5.606 -4.255 -10.068 1.00 0.00 C ATOM 736 C THR A 106 5.243 -2.765 -10.167 1.00 0.00 C ATOM 737 O THR A 106 5.639 -2.096 -11.124 1.00 0.00 O ATOM 738 CB THR A 106 5.939 -4.960 -11.394 1.00 0.00 C ATOM 739 OG1 THR A 106 4.819 -5.158 -12.232 1.00 0.00 O ATOM 740 CG2 THR A 106 6.571 -6.327 -11.124 1.00 0.00 C ATOM 0 H THR A 106 3.748 -5.167 -9.863 1.00 0.00 H new ATOM 0 HA THR A 106 6.548 -4.259 -9.519 1.00 0.00 H new ATOM 0 HB THR A 106 6.630 -4.293 -11.910 1.00 0.00 H new ATOM 0 HG1 THR A 106 5.102 -5.608 -13.055 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.801 -6.815 -12.071 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.489 -6.197 -10.550 1.00 0.00 H new ATOM 0 HG23 THR A 106 5.874 -6.945 -10.558 1.00 0.00 H new ATOM 748 N SER A 107 4.496 -2.207 -9.208 1.00 0.00 N ATOM 749 CA SER A 107 4.359 -0.763 -9.064 1.00 0.00 C ATOM 750 C SER A 107 4.908 -0.352 -7.704 1.00 0.00 C ATOM 751 O SER A 107 4.700 -1.037 -6.698 1.00 0.00 O ATOM 752 CB SER A 107 2.908 -0.321 -9.275 1.00 0.00 C ATOM 753 OG SER A 107 2.013 -0.966 -8.388 1.00 0.00 O ATOM 0 H SER A 107 3.974 -2.745 -8.516 1.00 0.00 H new ATOM 0 HA SER A 107 4.938 -0.255 -9.835 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.836 0.758 -9.138 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.612 -0.532 -10.303 1.00 0.00 H new ATOM 0 HG SER A 107 1.100 -0.652 -8.558 1.00 0.00 H new ATOM 759 N GLY A 108 5.590 0.792 -7.675 1.00 0.00 N ATOM 760 CA GLY A 108 6.190 1.334 -6.467 1.00 0.00 C ATOM 761 C GLY A 108 5.154 1.571 -5.373 1.00 0.00 C ATOM 762 O GLY A 108 5.422 1.334 -4.199 1.00 0.00 O ATOM 0 H GLY A 108 5.740 1.371 -8.501 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.953 0.647 -6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.692 2.273 -6.701 1.00 0.00 H new ATOM 766 N MET A 109 3.957 2.018 -5.747 1.00 0.00 N ATOM 767 CA MET A 109 2.913 2.369 -4.809 1.00 0.00 C ATOM 768 C MET A 109 2.262 1.135 -4.182 1.00 0.00 C ATOM 769 O MET A 109 1.785 1.226 -3.054 1.00 0.00 O ATOM 770 CB MET A 109 1.899 3.266 -5.525 1.00 0.00 C ATOM 771 CG MET A 109 1.557 2.804 -6.949 1.00 0.00 C ATOM 772 SD MET A 109 -0.117 3.207 -7.481 1.00 0.00 S ATOM 773 CE MET A 109 -0.948 2.089 -6.327 1.00 0.00 C ATOM 0 H MET A 109 3.690 2.145 -6.723 1.00 0.00 H new ATOM 0 HA MET A 109 3.346 2.918 -3.973 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.983 3.304 -4.936 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.293 4.281 -5.568 1.00 0.00 H new ATOM 0 HG2 MET A 109 2.265 3.256 -7.644 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.695 1.724 -7.011 1.00 0.00 H new ATOM 0 HE1 MET A 109 -1.657 1.465 -6.871 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.208 1.455 -5.838 1.00 0.00 H new ATOM 0 HE3 MET A 109 -1.480 2.672 -5.575 1.00 0.00 H new ATOM 783 N GLU A 110 2.261 -0.016 -4.856 1.00 0.00 N ATOM 784 CA GLU A 110 1.768 -1.243 -4.236 1.00 0.00 C ATOM 785 C GLU A 110 2.838 -1.877 -3.349 1.00 0.00 C ATOM 786 O GLU A 110 2.500 -2.384 -2.285 1.00 0.00 O ATOM 787 CB GLU A 110 1.295 -2.236 -5.307 1.00 0.00 C ATOM 788 CG GLU A 110 -0.126 -1.946 -5.830 1.00 0.00 C ATOM 789 CD GLU A 110 -1.266 -2.422 -4.917 1.00 0.00 C ATOM 790 OE1 GLU A 110 -1.084 -3.388 -4.140 1.00 0.00 O ATOM 791 OE2 GLU A 110 -2.404 -1.927 -5.089 1.00 0.00 O ATOM 0 H GLU A 110 2.591 -0.123 -5.815 1.00 0.00 H new ATOM 0 HA GLU A 110 0.918 -0.985 -3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.993 -2.215 -6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.323 -3.244 -4.894 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -0.228 -0.872 -5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -0.241 -2.419 -6.805 1.00 0.00 H new ATOM 798 N VAL A 111 4.119 -1.833 -3.735 1.00 0.00 N ATOM 799 CA VAL A 111 5.233 -2.182 -2.845 1.00 0.00 C ATOM 800 C VAL A 111 5.141 -1.322 -1.575 1.00 0.00 C ATOM 801 O VAL A 111 5.310 -1.853 -0.477 1.00 0.00 O ATOM 802 CB VAL A 111 6.558 -2.013 -3.624 1.00 0.00 C ATOM 803 CG1 VAL A 111 7.815 -2.060 -2.750 1.00 0.00 C ATOM 804 CG2 VAL A 111 6.687 -3.128 -4.674 1.00 0.00 C ATOM 0 H VAL A 111 4.412 -1.555 -4.672 1.00 0.00 H new ATOM 0 HA VAL A 111 5.189 -3.221 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 111 6.503 -1.021 -4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.698 -1.934 -3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.775 -1.259 -2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.867 -3.021 -2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.622 -3.006 -5.221 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.681 -4.098 -4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 111 5.849 -3.072 -5.369 1.00 0.00 H new ATOM 814 N ALA A 112 4.808 -0.033 -1.709 1.00 0.00 N ATOM 815 CA ALA A 112 4.643 0.878 -0.590 1.00 0.00 C ATOM 816 C ALA A 112 3.579 0.403 0.387 1.00 0.00 C ATOM 817 O ALA A 112 3.924 0.098 1.529 1.00 0.00 O ATOM 818 CB ALA A 112 4.350 2.298 -1.089 1.00 0.00 C ATOM 0 H ALA A 112 4.645 0.405 -2.616 1.00 0.00 H new ATOM 0 HA ALA A 112 5.584 0.894 -0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.230 2.966 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.178 2.645 -1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.434 2.294 -1.679 1.00 0.00 H new ATOM 824 N SER A 113 2.316 0.335 -0.036 1.00 0.00 N ATOM 825 CA SER A 113 1.230 -0.072 0.839 1.00 0.00 C ATOM 826 C SER A 113 1.457 -1.465 1.420 1.00 0.00 C ATOM 827 O SER A 113 1.054 -1.730 2.552 1.00 0.00 O ATOM 828 CB SER A 113 -0.083 -0.002 0.062 1.00 0.00 C ATOM 829 OG SER A 113 -0.013 -0.684 -1.176 1.00 0.00 O ATOM 0 H SER A 113 2.025 0.560 -0.987 1.00 0.00 H new ATOM 0 HA SER A 113 1.188 0.610 1.688 1.00 0.00 H new ATOM 0 HB2 SER A 113 -0.883 -0.431 0.666 1.00 0.00 H new ATOM 0 HB3 SER A 113 -0.342 1.042 -0.115 1.00 0.00 H new ATOM 0 HG SER A 113 -0.875 -0.614 -1.637 1.00 0.00 H new ATOM 835 N TYR A 114 2.150 -2.330 0.673 1.00 0.00 N ATOM 836 CA TYR A 114 2.471 -3.678 1.108 1.00 0.00 C ATOM 837 C TYR A 114 3.414 -3.572 2.297 1.00 0.00 C ATOM 838 O TYR A 114 3.132 -4.111 3.363 1.00 0.00 O ATOM 839 CB TYR A 114 3.060 -4.482 -0.063 1.00 0.00 C ATOM 840 CG TYR A 114 3.960 -5.638 0.296 1.00 0.00 C ATOM 841 CD1 TYR A 114 3.423 -6.892 0.640 1.00 0.00 C ATOM 842 CD2 TYR A 114 5.351 -5.438 0.290 1.00 0.00 C ATOM 843 CE1 TYR A 114 4.283 -7.938 1.020 1.00 0.00 C ATOM 844 CE2 TYR A 114 6.207 -6.470 0.692 1.00 0.00 C ATOM 845 CZ TYR A 114 5.678 -7.714 1.099 1.00 0.00 C ATOM 846 OH TYR A 114 6.497 -8.652 1.648 1.00 0.00 O ATOM 0 H TYR A 114 2.503 -2.105 -0.257 1.00 0.00 H new ATOM 0 HA TYR A 114 1.580 -4.219 1.426 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.234 -4.866 -0.662 1.00 0.00 H new ATOM 0 HB3 TYR A 114 3.622 -3.797 -0.698 1.00 0.00 H new ATOM 0 HD1 TYR A 114 2.355 -7.051 0.612 1.00 0.00 H new ATOM 0 HD2 TYR A 114 5.759 -4.489 -0.025 1.00 0.00 H new ATOM 0 HE1 TYR A 114 3.879 -8.912 1.252 1.00 0.00 H new ATOM 0 HE2 TYR A 114 7.276 -6.314 0.691 1.00 0.00 H new ATOM 0 HH TYR A 114 6.180 -8.876 2.548 1.00 0.00 H new ATOM 856 N LEU A 115 4.538 -2.870 2.144 1.00 0.00 N ATOM 857 CA LEU A 115 5.554 -2.814 3.181 1.00 0.00 C ATOM 858 C LEU A 115 5.020 -2.117 4.434 1.00 0.00 C ATOM 859 O LEU A 115 5.261 -2.584 5.552 1.00 0.00 O ATOM 860 CB LEU A 115 6.812 -2.123 2.637 1.00 0.00 C ATOM 861 CG LEU A 115 8.040 -2.378 3.526 1.00 0.00 C ATOM 862 CD1 LEU A 115 8.499 -3.840 3.440 1.00 0.00 C ATOM 863 CD2 LEU A 115 9.182 -1.464 3.082 1.00 0.00 C ATOM 0 H LEU A 115 4.763 -2.333 1.307 1.00 0.00 H new ATOM 0 HA LEU A 115 5.822 -3.829 3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.015 -2.481 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.634 -1.050 2.565 1.00 0.00 H new ATOM 0 HG LEU A 115 7.764 -2.167 4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.369 -3.986 4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.692 -4.495 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.763 -4.079 2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.055 -1.641 3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.434 -1.675 2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 115 8.873 -0.423 3.177 1.00 0.00 H new ATOM 875 N VAL A 116 4.264 -1.034 4.243 1.00 0.00 N ATOM 876 CA VAL A 116 3.631 -0.259 5.305 1.00 0.00 C ATOM 877 C VAL A 116 2.626 -1.117 6.097 1.00 0.00 C ATOM 878 O VAL A 116 2.437 -0.854 7.286 1.00 0.00 O ATOM 879 CB VAL A 116 3.048 1.042 4.693 1.00 0.00 C ATOM 880 CG1 VAL A 116 2.185 1.836 5.675 1.00 0.00 C ATOM 881 CG2 VAL A 116 4.173 1.946 4.151 1.00 0.00 C ATOM 0 H VAL A 116 4.071 -0.662 3.313 1.00 0.00 H new ATOM 0 HA VAL A 116 4.362 0.048 6.053 1.00 0.00 H new ATOM 0 HB VAL A 116 2.402 0.723 3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 116 1.808 2.734 5.185 1.00 0.00 H new ATOM 0 HG12 VAL A 116 1.346 1.221 6.001 1.00 0.00 H new ATOM 0 HG13 VAL A 116 2.785 2.120 6.540 1.00 0.00 H new ATOM 0 HG21 VAL A 116 3.739 2.852 3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 116 4.849 2.213 4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.728 1.413 3.379 1.00 0.00 H new ATOM 891 N ALA A 117 2.043 -2.159 5.491 1.00 0.00 N ATOM 892 CA ALA A 117 1.108 -3.078 6.137 1.00 0.00 C ATOM 893 C ALA A 117 1.740 -4.425 6.528 1.00 0.00 C ATOM 894 O ALA A 117 1.070 -5.262 7.139 1.00 0.00 O ATOM 895 CB ALA A 117 -0.064 -3.307 5.184 1.00 0.00 C ATOM 0 H ALA A 117 2.216 -2.389 4.512 1.00 0.00 H new ATOM 0 HA ALA A 117 0.782 -2.621 7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.778 -3.991 5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.555 -2.356 4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.303 -3.738 4.252 1.00 0.00 H new ATOM 901 N GLN A 118 3.006 -4.672 6.178 1.00 0.00 N ATOM 902 CA GLN A 118 3.766 -5.861 6.560 1.00 0.00 C ATOM 903 C GLN A 118 4.591 -5.593 7.817 1.00 0.00 C ATOM 904 O GLN A 118 4.741 -6.494 8.643 1.00 0.00 O ATOM 905 CB GLN A 118 4.708 -6.266 5.418 1.00 0.00 C ATOM 906 CG GLN A 118 3.976 -6.892 4.224 1.00 0.00 C ATOM 907 CD GLN A 118 4.147 -8.406 4.141 1.00 0.00 C ATOM 908 OE1 GLN A 118 5.256 -8.926 4.025 1.00 0.00 O ATOM 909 NE2 GLN A 118 3.071 -9.162 4.125 1.00 0.00 N ATOM 0 H GLN A 118 3.546 -4.027 5.602 1.00 0.00 H new ATOM 0 HA GLN A 118 3.061 -6.667 6.763 1.00 0.00 H new ATOM 0 HB2 GLN A 118 5.257 -5.387 5.079 1.00 0.00 H new ATOM 0 HB3 GLN A 118 5.444 -6.975 5.797 1.00 0.00 H new ATOM 0 HG2 GLN A 118 2.914 -6.656 4.293 1.00 0.00 H new ATOM 0 HG3 GLN A 118 4.344 -6.440 3.303 1.00 0.00 H new ATOM 0 HE21 GLN A 118 2.148 -8.738 4.221 1.00 0.00 H new ATOM 0 HE22 GLN A 118 3.159 -10.172 4.017 1.00 0.00 H new ATOM 918 N TYR A 119 5.168 -4.391 7.934 1.00 0.00 N ATOM 919 CA TYR A 119 6.008 -3.975 9.056 1.00 0.00 C ATOM 920 C TYR A 119 5.307 -2.906 9.887 1.00 0.00 C ATOM 921 O TYR A 119 5.187 -3.058 11.106 1.00 0.00 O ATOM 922 CB TYR A 119 7.364 -3.429 8.571 1.00 0.00 C ATOM 923 CG TYR A 119 8.266 -4.448 7.902 1.00 0.00 C ATOM 924 CD1 TYR A 119 7.911 -4.959 6.644 1.00 0.00 C ATOM 925 CD2 TYR A 119 9.432 -4.918 8.538 1.00 0.00 C ATOM 926 CE1 TYR A 119 8.629 -6.017 6.068 1.00 0.00 C ATOM 927 CE2 TYR A 119 10.184 -5.950 7.944 1.00 0.00 C ATOM 928 CZ TYR A 119 9.767 -6.532 6.726 1.00 0.00 C ATOM 929 OH TYR A 119 10.454 -7.589 6.213 1.00 0.00 O ATOM 0 H TYR A 119 5.058 -3.662 7.229 1.00 0.00 H new ATOM 0 HA TYR A 119 6.184 -4.858 9.671 1.00 0.00 H new ATOM 0 HB2 TYR A 119 7.180 -2.614 7.871 1.00 0.00 H new ATOM 0 HB3 TYR A 119 7.893 -3.003 9.424 1.00 0.00 H new ATOM 0 HD1 TYR A 119 7.074 -4.532 6.112 1.00 0.00 H new ATOM 0 HD2 TYR A 119 9.748 -4.489 9.477 1.00 0.00 H new ATOM 0 HE1 TYR A 119 8.313 -6.436 5.124 1.00 0.00 H new ATOM 0 HE2 TYR A 119 11.087 -6.299 8.423 1.00 0.00 H new ATOM 0 HH TYR A 119 10.378 -7.586 5.236 1.00 0.00 H new ATOM 939 N GLY A 120 4.913 -1.808 9.244 1.00 0.00 N ATOM 940 CA GLY A 120 4.482 -0.584 9.895 1.00 0.00 C ATOM 941 C GLY A 120 5.408 0.562 9.510 1.00 0.00 C ATOM 942 O GLY A 120 6.547 0.329 9.090 1.00 0.00 O ATOM 0 H GLY A 120 4.886 -1.750 8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 120 3.458 -0.349 9.605 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.484 -0.717 10.977 1.00 0.00 H new ATOM 946 N GLU A 121 4.920 1.793 9.661 1.00 0.00 N ATOM 947 CA GLU A 121 5.468 2.987 9.026 1.00 0.00 C ATOM 948 C GLU A 121 6.947 3.224 9.329 1.00 0.00 C ATOM 949 O GLU A 121 7.657 3.712 8.451 1.00 0.00 O ATOM 950 CB GLU A 121 4.642 4.231 9.395 1.00 0.00 C ATOM 951 CG GLU A 121 3.272 4.257 8.703 1.00 0.00 C ATOM 952 CD GLU A 121 2.133 3.667 9.531 1.00 0.00 C ATOM 953 OE1 GLU A 121 2.187 2.464 9.871 1.00 0.00 O ATOM 954 OE2 GLU A 121 1.169 4.406 9.827 1.00 0.00 O ATOM 0 H GLU A 121 4.108 1.991 10.246 1.00 0.00 H new ATOM 0 HA GLU A 121 5.400 2.808 7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.500 4.261 10.475 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.200 5.127 9.122 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.025 5.289 8.452 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.343 3.709 7.764 1.00 0.00 H new ATOM 961 N GLN A 122 7.435 2.852 10.518 1.00 0.00 N ATOM 962 CA GLN A 122 8.847 2.942 10.859 1.00 0.00 C ATOM 963 C GLN A 122 9.675 2.097 9.912 1.00 0.00 C ATOM 964 O GLN A 122 10.347 2.647 9.047 1.00 0.00 O ATOM 965 CB GLN A 122 9.073 2.501 12.302 1.00 0.00 C ATOM 966 CG GLN A 122 8.727 3.626 13.285 1.00 0.00 C ATOM 967 CD GLN A 122 9.688 4.814 13.189 1.00 0.00 C ATOM 968 OE1 GLN A 122 10.889 4.650 12.986 1.00 0.00 O ATOM 969 NE2 GLN A 122 9.188 6.024 13.336 1.00 0.00 N ATOM 0 H GLN A 122 6.854 2.480 11.269 1.00 0.00 H new ATOM 0 HA GLN A 122 9.162 3.981 10.760 1.00 0.00 H new ATOM 0 HB2 GLN A 122 8.461 1.625 12.518 1.00 0.00 H new ATOM 0 HB3 GLN A 122 10.113 2.204 12.436 1.00 0.00 H new ATOM 0 HG2 GLN A 122 7.711 3.970 13.093 1.00 0.00 H new ATOM 0 HG3 GLN A 122 8.744 3.232 14.301 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.189 6.146 13.504 1.00 0.00 H new ATOM 0 HE22 GLN A 122 9.800 6.839 13.282 1.00 0.00 H new ATOM 978 N ARG A 123 9.656 0.765 10.059 1.00 0.00 N ATOM 979 CA ARG A 123 10.574 -0.065 9.276 1.00 0.00 C ATOM 980 C ARG A 123 10.262 0.078 7.798 1.00 0.00 C ATOM 981 O ARG A 123 11.171 -0.010 6.974 1.00 0.00 O ATOM 982 CB ARG A 123 10.541 -1.562 9.626 1.00 0.00 C ATOM 983 CG ARG A 123 10.343 -1.974 11.086 1.00 0.00 C ATOM 984 CD ARG A 123 11.210 -1.182 12.069 1.00 0.00 C ATOM 985 NE ARG A 123 11.385 -1.910 13.335 1.00 0.00 N ATOM 986 CZ ARG A 123 10.505 -2.074 14.328 1.00 0.00 C ATOM 987 NH1 ARG A 123 9.361 -1.395 14.365 1.00 0.00 N ATOM 988 NH2 ARG A 123 10.799 -2.946 15.282 1.00 0.00 N ATOM 0 H ARG A 123 9.037 0.256 10.690 1.00 0.00 H new ATOM 0 HA ARG A 123 11.571 0.300 9.523 1.00 0.00 H new ATOM 0 HB2 ARG A 123 9.742 -2.020 9.043 1.00 0.00 H new ATOM 0 HB3 ARG A 123 11.478 -2.002 9.283 1.00 0.00 H new ATOM 0 HG2 ARG A 123 9.294 -1.843 11.353 1.00 0.00 H new ATOM 0 HG3 ARG A 123 10.568 -3.035 11.189 1.00 0.00 H new ATOM 0 HD2 ARG A 123 12.185 -0.987 11.622 1.00 0.00 H new ATOM 0 HD3 ARG A 123 10.749 -0.214 12.265 1.00 0.00 H new ATOM 0 HE ARG A 123 12.296 -2.347 13.473 1.00 0.00 H new ATOM 0 HH11 ARG A 123 9.138 -0.730 13.624 1.00 0.00 H new ATOM 0 HH12 ARG A 123 8.707 -1.539 15.134 1.00 0.00 H new ATOM 0 HH21 ARG A 123 11.675 -3.468 15.244 1.00 0.00 H new ATOM 0 HH22 ARG A 123 10.150 -3.095 16.054 1.00 0.00 H new ATOM 1002 N ALA A 124 8.995 0.331 7.463 1.00 0.00 N ATOM 1003 CA ALA A 124 8.591 0.459 6.079 1.00 0.00 C ATOM 1004 C ALA A 124 9.233 1.672 5.386 1.00 0.00 C ATOM 1005 O ALA A 124 9.062 1.813 4.172 1.00 0.00 O ATOM 1006 CB ALA A 124 7.067 0.515 5.978 1.00 0.00 C ATOM 0 H ALA A 124 8.239 0.450 8.137 1.00 0.00 H new ATOM 0 HA ALA A 124 8.951 -0.425 5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.775 0.611 4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.641 -0.399 6.391 1.00 0.00 H new ATOM 0 HB3 ALA A 124 6.696 1.373 6.539 1.00 0.00 H new ATOM 1012 N TRP A 125 9.963 2.539 6.102 1.00 0.00 N ATOM 1013 CA TRP A 125 10.977 3.394 5.501 1.00 0.00 C ATOM 1014 C TRP A 125 12.366 3.153 6.103 1.00 0.00 C ATOM 1015 O TRP A 125 13.311 2.959 5.356 1.00 0.00 O ATOM 1016 CB TRP A 125 10.525 4.854 5.519 1.00 0.00 C ATOM 1017 CG TRP A 125 11.011 5.668 4.365 1.00 0.00 C ATOM 1018 CD1 TRP A 125 11.620 6.864 4.471 1.00 0.00 C ATOM 1019 CD2 TRP A 125 10.973 5.361 2.936 1.00 0.00 C ATOM 1020 NE1 TRP A 125 11.965 7.322 3.215 1.00 0.00 N ATOM 1021 CE2 TRP A 125 11.623 6.414 2.232 1.00 0.00 C ATOM 1022 CE3 TRP A 125 10.444 4.309 2.157 1.00 0.00 C ATOM 1023 CZ2 TRP A 125 11.811 6.374 0.840 1.00 0.00 C ATOM 1024 CZ3 TRP A 125 10.558 4.300 0.757 1.00 0.00 C ATOM 1025 CH2 TRP A 125 11.279 5.304 0.098 1.00 0.00 C ATOM 0 H TRP A 125 9.862 2.661 7.110 1.00 0.00 H new ATOM 0 HA TRP A 125 11.087 3.123 4.451 1.00 0.00 H new ATOM 0 HB2 TRP A 125 9.436 4.883 5.535 1.00 0.00 H new ATOM 0 HB3 TRP A 125 10.870 5.316 6.444 1.00 0.00 H new ATOM 0 HD1 TRP A 125 11.810 7.386 5.397 1.00 0.00 H new ATOM 0 HE1 TRP A 125 12.416 8.219 3.035 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.939 3.491 2.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 12.360 7.160 0.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 10.087 3.514 0.185 1.00 0.00 H new ATOM 0 HH2 TRP A 125 11.425 5.257 -0.971 1.00 0.00 H new ATOM 1036 N ASP A 126 12.509 3.077 7.423 1.00 0.00 N ATOM 1037 CA ASP A 126 13.775 2.927 8.154 1.00 0.00 C ATOM 1038 C ASP A 126 14.643 1.739 7.712 1.00 0.00 C ATOM 1039 O ASP A 126 15.872 1.795 7.788 1.00 0.00 O ATOM 1040 CB ASP A 126 13.482 2.758 9.653 1.00 0.00 C ATOM 1041 CG ASP A 126 14.772 2.809 10.467 1.00 0.00 C ATOM 1042 OD1 ASP A 126 15.415 3.879 10.481 1.00 0.00 O ATOM 1043 OD2 ASP A 126 15.177 1.766 11.040 1.00 0.00 O ATOM 0 H ASP A 126 11.705 3.120 8.050 1.00 0.00 H new ATOM 0 HA ASP A 126 14.340 3.833 7.933 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.805 3.544 9.987 1.00 0.00 H new ATOM 0 HB3 ASP A 126 12.976 1.808 9.824 1.00 0.00 H new ATOM 1048 N LEU A 127 14.025 0.632 7.298 1.00 0.00 N ATOM 1049 CA LEU A 127 14.677 -0.564 6.769 1.00 0.00 C ATOM 1050 C LEU A 127 15.075 -0.276 5.318 1.00 0.00 C ATOM 1051 O LEU A 127 16.217 -0.472 4.911 1.00 0.00 O ATOM 1052 CB LEU A 127 13.662 -1.720 6.884 1.00 0.00 C ATOM 1053 CG LEU A 127 14.207 -3.147 7.019 1.00 0.00 C ATOM 1054 CD1 LEU A 127 12.994 -4.098 7.024 1.00 0.00 C ATOM 1055 CD2 LEU A 127 15.213 -3.500 5.920 1.00 0.00 C ATOM 0 H LEU A 127 13.009 0.542 7.324 1.00 0.00 H new ATOM 0 HA LEU A 127 15.580 -0.839 7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 127 13.027 -1.522 7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 127 13.020 -1.690 6.003 1.00 0.00 H new ATOM 0 HG LEU A 127 14.769 -3.243 7.948 1.00 0.00 H new ATOM 0 HD11 LEU A 127 13.339 -5.128 7.119 1.00 0.00 H new ATOM 0 HD12 LEU A 127 12.344 -3.854 7.864 1.00 0.00 H new ATOM 0 HD13 LEU A 127 12.440 -3.986 6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 127 15.566 -4.521 6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 127 14.731 -3.417 4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 127 16.058 -2.814 5.967 1.00 0.00 H new ATOM 1067 N ALA A 128 14.114 0.250 4.561 1.00 0.00 N ATOM 1068 CA ALA A 128 14.210 0.691 3.180 1.00 0.00 C ATOM 1069 C ALA A 128 15.343 1.713 2.954 1.00 0.00 C ATOM 1070 O ALA A 128 16.001 1.645 1.921 1.00 0.00 O ATOM 1071 CB ALA A 128 12.826 1.220 2.776 1.00 0.00 C ATOM 0 H ALA A 128 13.174 0.388 4.932 1.00 0.00 H new ATOM 0 HA ALA A 128 14.487 -0.145 2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 128 12.855 1.562 1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 128 12.089 0.423 2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.550 2.051 3.426 1.00 0.00 H new ATOM 1077 N LEU A 129 15.626 2.609 3.907 1.00 0.00 N ATOM 1078 CA LEU A 129 16.736 3.560 3.849 1.00 0.00 C ATOM 1079 C LEU A 129 18.055 2.825 3.633 1.00 0.00 C ATOM 1080 O LEU A 129 18.813 3.147 2.718 1.00 0.00 O ATOM 1081 CB LEU A 129 16.805 4.385 5.153 1.00 0.00 C ATOM 1082 CG LEU A 129 16.211 5.801 5.098 1.00 0.00 C ATOM 1083 CD1 LEU A 129 16.894 6.688 4.058 1.00 0.00 C ATOM 1084 CD2 LEU A 129 14.713 5.841 4.843 1.00 0.00 C ATOM 0 H LEU A 129 15.074 2.693 4.760 1.00 0.00 H new ATOM 0 HA LEU A 129 16.566 4.235 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 129 16.290 3.829 5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 129 17.850 4.464 5.452 1.00 0.00 H new ATOM 0 HG LEU A 129 16.398 6.189 6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 129 16.433 7.676 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 129 17.953 6.780 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 129 16.783 6.242 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 129 14.375 6.877 4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 129 14.494 5.366 3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 129 14.194 5.308 5.640 1.00 0.00 H new ATOM 1096 N HIS A 130 18.312 1.807 4.455 1.00 0.00 N ATOM 1097 CA HIS A 130 19.508 0.988 4.349 1.00 0.00 C ATOM 1098 C HIS A 130 19.540 0.267 2.991 1.00 0.00 C ATOM 1099 O HIS A 130 20.611 0.132 2.397 1.00 0.00 O ATOM 1100 CB HIS A 130 19.585 0.047 5.570 1.00 0.00 C ATOM 1101 CG HIS A 130 19.940 -1.384 5.262 1.00 0.00 C ATOM 1102 ND1 HIS A 130 19.142 -2.264 4.587 1.00 0.00 N flip ATOM 1103 CD2 HIS A 130 21.133 -2.014 5.535 1.00 0.00 C flip ATOM 1104 CE1 HIS A 130 19.853 -3.464 4.464 1.00 0.00 C flip ATOM 1105 NE2 HIS A 130 21.048 -3.260 5.044 1.00 0.00 N flip ATOM 0 H HIS A 130 17.690 1.531 5.215 1.00 0.00 H new ATOM 0 HA HIS A 130 20.407 1.604 4.372 1.00 0.00 H new ATOM 0 HB2 HIS A 130 20.322 0.444 6.268 1.00 0.00 H new ATOM 0 HB3 HIS A 130 18.622 0.063 6.081 1.00 0.00 H new ATOM 0 HD2 HIS A 130 21.980 -1.585 6.049 1.00 0.00 H new ATOM 0 HE1 HIS A 130 19.509 -4.374 3.995 1.00 0.00 H new ATOM 0 HE2 HIS A 130 21.790 -3.958 5.103 1.00 0.00 H new ATOM 1113 N THR A 131 18.384 -0.176 2.482 1.00 0.00 N ATOM 1114 CA THR A 131 18.271 -0.872 1.203 1.00 0.00 C ATOM 1115 C THR A 131 18.678 0.062 0.056 1.00 0.00 C ATOM 1116 O THR A 131 19.250 -0.391 -0.937 1.00 0.00 O ATOM 1117 CB THR A 131 16.838 -1.417 1.058 1.00 0.00 C ATOM 1118 OG1 THR A 131 16.536 -2.263 2.156 1.00 0.00 O ATOM 1119 CG2 THR A 131 16.591 -2.236 -0.202 1.00 0.00 C ATOM 0 H THR A 131 17.490 -0.057 2.958 1.00 0.00 H new ATOM 0 HA THR A 131 18.953 -1.721 1.164 1.00 0.00 H new ATOM 0 HB THR A 131 16.206 -0.530 1.012 1.00 0.00 H new ATOM 0 HG1 THR A 131 16.382 -1.718 2.956 1.00 0.00 H new ATOM 0 HG21 THR A 131 15.556 -2.577 -0.217 1.00 0.00 H new ATOM 0 HG22 THR A 131 16.783 -1.619 -1.080 1.00 0.00 H new ATOM 0 HG23 THR A 131 17.257 -3.099 -0.212 1.00 0.00 H new ATOM 1127 N TRP A 132 18.473 1.372 0.206 1.00 0.00 N ATOM 1128 CA TRP A 132 18.960 2.316 -0.807 1.00 0.00 C ATOM 1129 C TRP A 132 20.472 2.238 -0.911 1.00 0.00 C ATOM 1130 O TRP A 132 21.015 2.123 -2.008 1.00 0.00 O ATOM 1131 CB TRP A 132 18.561 3.772 -0.552 1.00 0.00 C ATOM 1132 CG TRP A 132 17.121 4.105 -0.736 1.00 0.00 C ATOM 1133 CD1 TRP A 132 16.397 4.879 0.098 1.00 0.00 C ATOM 1134 CD2 TRP A 132 16.243 3.771 -1.852 1.00 0.00 C ATOM 1135 NE1 TRP A 132 15.137 5.059 -0.426 1.00 0.00 N ATOM 1136 CE2 TRP A 132 14.990 4.407 -1.628 1.00 0.00 C ATOM 1137 CE3 TRP A 132 16.375 3.019 -3.043 1.00 0.00 C ATOM 1138 CZ2 TRP A 132 13.945 4.344 -2.553 1.00 0.00 C ATOM 1139 CZ3 TRP A 132 15.311 2.903 -3.954 1.00 0.00 C ATOM 1140 CH2 TRP A 132 14.108 3.583 -3.716 1.00 0.00 C ATOM 0 H TRP A 132 17.987 1.797 0.996 1.00 0.00 H new ATOM 0 HA TRP A 132 18.482 2.013 -1.739 1.00 0.00 H new ATOM 0 HB2 TRP A 132 18.844 4.030 0.468 1.00 0.00 H new ATOM 0 HB3 TRP A 132 19.147 4.408 -1.216 1.00 0.00 H new ATOM 0 HD1 TRP A 132 16.750 5.293 1.031 1.00 0.00 H new ATOM 0 HE1 TRP A 132 14.403 5.608 0.022 1.00 0.00 H new ATOM 0 HE3 TRP A 132 17.311 2.525 -3.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 13.023 4.876 -2.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 15.420 2.290 -4.837 1.00 0.00 H new ATOM 0 HH2 TRP A 132 13.303 3.519 -4.434 1.00 0.00 H new ATOM 1151 N GLU A 133 21.138 2.261 0.236 1.00 0.00 N ATOM 1152 CA GLU A 133 22.583 2.214 0.338 1.00 0.00 C ATOM 1153 C GLU A 133 23.132 0.898 -0.202 1.00 0.00 C ATOM 1154 O GLU A 133 24.221 0.869 -0.771 1.00 0.00 O ATOM 1155 CB GLU A 133 22.932 2.381 1.812 1.00 0.00 C ATOM 1156 CG GLU A 133 24.369 2.845 2.052 1.00 0.00 C ATOM 1157 CD GLU A 133 24.490 3.535 3.409 1.00 0.00 C ATOM 1158 OE1 GLU A 133 24.105 2.937 4.435 1.00 0.00 O ATOM 1159 OE2 GLU A 133 24.969 4.698 3.413 1.00 0.00 O ATOM 0 H GLU A 133 20.672 2.314 1.142 1.00 0.00 H new ATOM 0 HA GLU A 133 23.032 3.008 -0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 133 22.247 3.101 2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 133 22.775 1.431 2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 133 25.045 1.991 2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 133 24.673 3.530 1.261 1.00 0.00 H new ATOM 1166 N GLN A 134 22.368 -0.185 -0.054 1.00 0.00 N ATOM 1167 CA GLN A 134 22.710 -1.485 -0.622 1.00 0.00 C ATOM 1168 C GLN A 134 22.824 -1.438 -2.150 1.00 0.00 C ATOM 1169 O GLN A 134 23.768 -2.023 -2.684 1.00 0.00 O ATOM 1170 CB GLN A 134 21.716 -2.574 -0.177 1.00 0.00 C ATOM 1171 CG GLN A 134 22.343 -3.566 0.805 1.00 0.00 C ATOM 1172 CD GLN A 134 23.507 -4.313 0.155 1.00 0.00 C ATOM 1173 OE1 GLN A 134 23.333 -5.058 -0.800 1.00 0.00 O ATOM 1174 NE2 GLN A 134 24.724 -4.087 0.618 1.00 0.00 N ATOM 0 H GLN A 134 21.491 -0.183 0.466 1.00 0.00 H new ATOM 0 HA GLN A 134 23.694 -1.747 -0.233 1.00 0.00 H new ATOM 0 HB2 GLN A 134 20.850 -2.104 0.288 1.00 0.00 H new ATOM 0 HB3 GLN A 134 21.354 -3.113 -1.053 1.00 0.00 H new ATOM 0 HG2 GLN A 134 22.695 -3.035 1.690 1.00 0.00 H new ATOM 0 HG3 GLN A 134 21.589 -4.279 1.139 1.00 0.00 H new ATOM 0 HE21 GLN A 134 24.859 -3.464 1.415 1.00 0.00 H new ATOM 0 HE22 GLN A 134 25.528 -4.535 0.179 1.00 0.00 H new ATOM 1183 N MET A 135 21.917 -0.746 -2.847 1.00 0.00 N ATOM 1184 CA MET A 135 22.041 -0.488 -4.288 1.00 0.00 C ATOM 1185 C MET A 135 22.969 0.709 -4.576 1.00 0.00 C ATOM 1186 O MET A 135 23.392 0.911 -5.716 1.00 0.00 O ATOM 1187 CB MET A 135 20.658 -0.182 -4.870 1.00 0.00 C ATOM 1188 CG MET A 135 19.691 -1.349 -5.040 1.00 0.00 C ATOM 1189 SD MET A 135 17.976 -0.892 -4.665 1.00 0.00 S ATOM 1190 CE MET A 135 17.704 0.503 -5.810 1.00 0.00 C ATOM 0 H MET A 135 21.076 -0.348 -2.429 1.00 0.00 H new ATOM 0 HA MET A 135 22.470 -1.378 -4.748 1.00 0.00 H new ATOM 0 HB2 MET A 135 20.180 0.560 -4.230 1.00 0.00 H new ATOM 0 HB3 MET A 135 20.799 0.283 -5.846 1.00 0.00 H new ATOM 0 HG2 MET A 135 19.749 -1.719 -6.064 1.00 0.00 H new ATOM 0 HG3 MET A 135 19.996 -2.167 -4.388 1.00 0.00 H new ATOM 0 HE1 MET A 135 17.704 1.438 -5.250 1.00 0.00 H new ATOM 0 HE2 MET A 135 18.501 0.525 -6.553 1.00 0.00 H new ATOM 0 HE3 MET A 135 16.744 0.380 -6.311 1.00 0.00 H new ATOM 1200 N GLY A 136 23.272 1.527 -3.566 1.00 0.00 N ATOM 1201 CA GLY A 136 24.152 2.682 -3.645 1.00 0.00 C ATOM 1202 C GLY A 136 23.435 4.001 -3.945 1.00 0.00 C ATOM 1203 O GLY A 136 24.127 4.998 -4.182 1.00 0.00 O ATOM 0 H GLY A 136 22.890 1.391 -2.630 1.00 0.00 H new ATOM 0 HA2 GLY A 136 24.689 2.780 -2.701 1.00 0.00 H new ATOM 0 HA3 GLY A 136 24.898 2.503 -4.419 1.00 0.00 H new ATOM 1207 N LEU A 137 22.095 4.066 -3.915 1.00 0.00 N ATOM 1208 CA LEU A 137 21.325 5.213 -4.411 1.00 0.00 C ATOM 1209 C LEU A 137 21.338 6.347 -3.388 1.00 0.00 C ATOM 1210 O LEU A 137 20.348 6.627 -2.698 1.00 0.00 O ATOM 1211 CB LEU A 137 19.870 4.834 -4.765 1.00 0.00 C ATOM 1212 CG LEU A 137 19.607 4.184 -6.133 1.00 0.00 C ATOM 1213 CD1 LEU A 137 19.943 5.106 -7.301 1.00 0.00 C ATOM 1214 CD2 LEU A 137 20.327 2.865 -6.299 1.00 0.00 C ATOM 0 H LEU A 137 21.512 3.317 -3.542 1.00 0.00 H new ATOM 0 HA LEU A 137 21.807 5.548 -5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 137 19.506 4.153 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 137 19.265 5.738 -4.703 1.00 0.00 H new ATOM 0 HG LEU A 137 18.534 3.993 -6.151 1.00 0.00 H new ATOM 0 HD11 LEU A 137 19.737 4.593 -8.240 1.00 0.00 H new ATOM 0 HD12 LEU A 137 19.334 6.008 -7.239 1.00 0.00 H new ATOM 0 HD13 LEU A 137 20.998 5.377 -7.259 1.00 0.00 H new ATOM 0 HD21 LEU A 137 20.106 2.451 -7.283 1.00 0.00 H new ATOM 0 HD22 LEU A 137 21.401 3.023 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 137 19.994 2.169 -5.529 1.00 0.00 H new ATOM 1226 N ARG A 138 22.458 7.061 -3.363 1.00 0.00 N ATOM 1227 CA ARG A 138 22.738 8.144 -2.437 1.00 0.00 C ATOM 1228 C ARG A 138 21.641 9.181 -2.508 1.00 0.00 C ATOM 1229 O ARG A 138 21.120 9.567 -1.467 1.00 0.00 O ATOM 1230 CB ARG A 138 24.103 8.764 -2.759 1.00 0.00 C ATOM 1231 CG ARG A 138 24.888 9.233 -1.528 1.00 0.00 C ATOM 1232 CD ARG A 138 26.371 9.298 -1.898 1.00 0.00 C ATOM 1233 NE ARG A 138 27.163 10.018 -0.889 1.00 0.00 N ATOM 1234 CZ ARG A 138 28.396 9.703 -0.479 1.00 0.00 C ATOM 1235 NH1 ARG A 138 28.960 8.546 -0.819 1.00 0.00 N ATOM 1236 NH2 ARG A 138 29.082 10.555 0.277 1.00 0.00 N ATOM 0 H ARG A 138 23.224 6.892 -4.015 1.00 0.00 H new ATOM 0 HA ARG A 138 22.770 7.752 -1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 138 24.703 8.033 -3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 138 23.955 9.613 -3.427 1.00 0.00 H new ATOM 0 HG2 ARG A 138 24.535 10.212 -1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 138 24.734 8.546 -0.696 1.00 0.00 H new ATOM 0 HD2 ARG A 138 26.761 8.286 -2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 138 26.482 9.791 -2.864 1.00 0.00 H new ATOM 0 HE ARG A 138 26.730 10.836 -0.461 1.00 0.00 H new ATOM 0 HH11 ARG A 138 28.450 7.882 -1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 138 29.902 8.323 -0.496 1.00 0.00 H new ATOM 0 HH21 ARG A 138 28.668 11.448 0.544 1.00 0.00 H new ATOM 0 HH22 ARG A 138 30.023 10.316 0.590 1.00 0.00 H new ATOM 1250 N SER A 139 21.285 9.615 -3.717 1.00 0.00 N ATOM 1251 CA SER A 139 20.324 10.682 -3.937 1.00 0.00 C ATOM 1252 C SER A 139 18.945 10.309 -3.395 1.00 0.00 C ATOM 1253 O SER A 139 18.277 11.155 -2.811 1.00 0.00 O ATOM 1254 CB SER A 139 20.273 11.011 -5.433 1.00 0.00 C ATOM 1255 OG SER A 139 21.585 11.031 -5.970 1.00 0.00 O ATOM 0 H SER A 139 21.665 9.226 -4.580 1.00 0.00 H new ATOM 0 HA SER A 139 20.643 11.570 -3.391 1.00 0.00 H new ATOM 0 HB2 SER A 139 19.668 10.270 -5.956 1.00 0.00 H new ATOM 0 HB3 SER A 139 19.794 11.978 -5.585 1.00 0.00 H new ATOM 0 HG SER A 139 21.544 11.240 -6.927 1.00 0.00 H new ATOM 1261 N LEU A 140 18.525 9.046 -3.523 1.00 0.00 N ATOM 1262 CA LEU A 140 17.249 8.607 -2.972 1.00 0.00 C ATOM 1263 C LEU A 140 17.327 8.635 -1.453 1.00 0.00 C ATOM 1264 O LEU A 140 16.452 9.215 -0.807 1.00 0.00 O ATOM 1265 CB LEU A 140 16.892 7.196 -3.456 1.00 0.00 C ATOM 1266 CG LEU A 140 16.730 7.064 -4.979 1.00 0.00 C ATOM 1267 CD1 LEU A 140 16.393 5.619 -5.300 1.00 0.00 C ATOM 1268 CD2 LEU A 140 15.655 8.012 -5.543 1.00 0.00 C ATOM 0 H LEU A 140 19.052 8.316 -4.002 1.00 0.00 H new ATOM 0 HA LEU A 140 16.467 9.284 -3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 140 17.668 6.505 -3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 140 15.963 6.886 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 140 17.668 7.352 -5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 140 16.274 5.504 -6.377 1.00 0.00 H new ATOM 0 HD12 LEU A 140 17.198 4.972 -4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 140 15.464 5.342 -4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 140 15.582 7.878 -6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 140 14.693 7.786 -5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 140 15.929 9.044 -5.323 1.00 0.00 H new ATOM 1280 N CYS A 141 18.381 8.042 -0.885 1.00 0.00 N ATOM 1281 CA CYS A 141 18.638 8.041 0.547 1.00 0.00 C ATOM 1282 C CYS A 141 18.634 9.482 1.093 1.00 0.00 C ATOM 1283 O CYS A 141 18.083 9.738 2.163 1.00 0.00 O ATOM 1284 CB CYS A 141 19.973 7.312 0.784 1.00 0.00 C ATOM 1285 SG CYS A 141 20.017 6.523 2.410 1.00 0.00 S ATOM 0 H CYS A 141 19.089 7.542 -1.423 1.00 0.00 H new ATOM 0 HA CYS A 141 17.853 7.514 1.090 1.00 0.00 H new ATOM 0 HB2 CYS A 141 20.121 6.560 0.009 1.00 0.00 H new ATOM 0 HB3 CYS A 141 20.796 8.022 0.700 1.00 0.00 H new ATOM 0 HG CYS A 141 19.542 5.316 2.320 1.00 0.00 H new ATOM 1291 N ALA A 142 19.197 10.424 0.331 1.00 0.00 N ATOM 1292 CA ALA A 142 19.320 11.839 0.637 1.00 0.00 C ATOM 1293 C ALA A 142 17.951 12.518 0.640 1.00 0.00 C ATOM 1294 O ALA A 142 17.543 13.094 1.646 1.00 0.00 O ATOM 1295 CB ALA A 142 20.250 12.499 -0.386 1.00 0.00 C ATOM 0 H ALA A 142 19.604 10.195 -0.576 1.00 0.00 H new ATOM 0 HA ALA A 142 19.745 11.951 1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 142 20.345 13.561 -0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 142 21.233 12.029 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 142 19.835 12.377 -1.387 1.00 0.00 H new ATOM 1301 N GLN A 143 17.200 12.427 -0.462 1.00 0.00 N ATOM 1302 CA GLN A 143 15.860 12.997 -0.555 1.00 0.00 C ATOM 1303 C GLN A 143 14.928 12.386 0.515 1.00 0.00 C ATOM 1304 O GLN A 143 13.937 13.017 0.889 1.00 0.00 O ATOM 1305 CB GLN A 143 15.264 12.745 -1.951 1.00 0.00 C ATOM 1306 CG GLN A 143 15.908 13.368 -3.205 1.00 0.00 C ATOM 1307 CD GLN A 143 15.279 12.792 -4.486 1.00 0.00 C ATOM 1308 OE1 GLN A 143 14.664 11.730 -4.468 1.00 0.00 O ATOM 1309 NE2 GLN A 143 15.349 13.458 -5.630 1.00 0.00 N ATOM 0 H GLN A 143 17.507 11.955 -1.313 1.00 0.00 H new ATOM 0 HA GLN A 143 15.942 14.070 -0.384 1.00 0.00 H new ATOM 0 HB2 GLN A 143 15.246 11.666 -2.102 1.00 0.00 H new ATOM 0 HB3 GLN A 143 14.227 13.080 -1.923 1.00 0.00 H new ATOM 0 HG2 GLN A 143 15.779 14.450 -3.186 1.00 0.00 H new ATOM 0 HG3 GLN A 143 16.981 13.175 -3.203 1.00 0.00 H new ATOM 0 HE21 GLN A 143 15.853 14.343 -5.675 1.00 0.00 H new ATOM 0 HE22 GLN A 143 14.898 13.085 -6.466 1.00 0.00 H new ATOM 1318 N ALA A 144 15.201 11.169 1.004 1.00 0.00 N ATOM 1319 CA ALA A 144 14.483 10.514 2.097 1.00 0.00 C ATOM 1320 C ALA A 144 14.937 10.967 3.497 1.00 0.00 C ATOM 1321 O ALA A 144 14.383 10.460 4.473 1.00 0.00 O ATOM 1322 CB ALA A 144 14.601 8.987 1.951 1.00 0.00 C ATOM 0 H ALA A 144 15.958 10.595 0.632 1.00 0.00 H new ATOM 0 HA ALA A 144 13.439 10.817 2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 144 14.065 8.501 2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 144 14.170 8.678 0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 144 15.652 8.698 1.984 1.00 0.00 H new ATOM 1328 N GLN A 145 15.896 11.891 3.627 1.00 0.00 N ATOM 1329 CA GLN A 145 16.463 12.342 4.905 1.00 0.00 C ATOM 1330 C GLN A 145 16.612 13.863 4.981 1.00 0.00 C ATOM 1331 O GLN A 145 16.933 14.395 6.041 1.00 0.00 O ATOM 1332 CB GLN A 145 17.812 11.648 5.148 1.00 0.00 C ATOM 1333 CG GLN A 145 17.606 10.251 5.741 1.00 0.00 C ATOM 1334 CD GLN A 145 18.902 9.457 5.747 1.00 0.00 C ATOM 1335 OE1 GLN A 145 19.596 9.351 6.751 1.00 0.00 O ATOM 1336 NE2 GLN A 145 19.253 8.890 4.609 1.00 0.00 N ATOM 0 H GLN A 145 16.312 12.360 2.822 1.00 0.00 H new ATOM 0 HA GLN A 145 15.762 12.062 5.692 1.00 0.00 H new ATOM 0 HB2 GLN A 145 18.361 11.572 4.210 1.00 0.00 H new ATOM 0 HB3 GLN A 145 18.419 12.249 5.825 1.00 0.00 H new ATOM 0 HG2 GLN A 145 17.226 10.338 6.759 1.00 0.00 H new ATOM 0 HG3 GLN A 145 16.852 9.716 5.164 1.00 0.00 H new ATOM 0 HE21 GLN A 145 18.660 8.991 3.785 1.00 0.00 H new ATOM 0 HE22 GLN A 145 20.117 8.351 4.553 1.00 0.00 H new ATOM 1345 N GLU A 146 16.319 14.594 3.907 1.00 0.00 N ATOM 1346 CA GLU A 146 16.430 16.048 3.816 1.00 0.00 C ATOM 1347 C GLU A 146 15.480 16.812 4.758 1.00 0.00 C ATOM 1348 O GLU A 146 15.523 18.039 4.823 1.00 0.00 O ATOM 1349 CB GLU A 146 16.239 16.450 2.341 1.00 0.00 C ATOM 1350 CG GLU A 146 17.609 16.687 1.693 1.00 0.00 C ATOM 1351 CD GLU A 146 17.565 17.075 0.213 1.00 0.00 C ATOM 1352 OE1 GLU A 146 16.480 17.331 -0.366 1.00 0.00 O ATOM 1353 OE2 GLU A 146 18.646 17.102 -0.408 1.00 0.00 O ATOM 0 H GLU A 146 15.984 14.172 3.041 1.00 0.00 H new ATOM 0 HA GLU A 146 17.423 16.338 4.161 1.00 0.00 H new ATOM 0 HB2 GLU A 146 15.703 15.666 1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 146 15.633 17.353 2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 146 18.124 17.474 2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 146 18.206 15.781 1.798 1.00 0.00 H new ATOM 1360 N GLY A 147 14.672 16.116 5.554 1.00 0.00 N ATOM 1361 CA GLY A 147 13.691 16.652 6.492 1.00 0.00 C ATOM 1362 C GLY A 147 12.517 15.685 6.641 1.00 0.00 C ATOM 1363 O GLY A 147 11.826 15.689 7.659 1.00 0.00 O ATOM 0 H GLY A 147 14.687 15.096 5.561 1.00 0.00 H new ATOM 0 HA2 GLY A 147 14.159 16.819 7.462 1.00 0.00 H new ATOM 0 HA3 GLY A 147 13.332 17.619 6.140 1.00 0.00 H new ATOM 1367 N ALA A 148 12.344 14.787 5.668 1.00 0.00 N ATOM 1368 CA ALA A 148 11.698 13.508 5.821 1.00 0.00 C ATOM 1369 C ALA A 148 12.431 12.767 6.938 1.00 0.00 C ATOM 1370 O ALA A 148 13.584 12.353 6.801 1.00 0.00 O ATOM 1371 CB ALA A 148 11.710 12.747 4.491 1.00 0.00 C ATOM 0 H ALA A 148 12.669 14.952 4.715 1.00 0.00 H new ATOM 0 HA ALA A 148 10.648 13.614 6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 148 11.219 11.782 4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 148 11.179 13.326 3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 148 12.740 12.590 4.171 1.00 0.00 H new ATOM 1377 N GLY A 149 11.758 12.690 8.069 1.00 0.00 N ATOM 1378 CA GLY A 149 12.096 11.916 9.248 1.00 0.00 C ATOM 1379 C GLY A 149 10.802 11.642 10.005 1.00 0.00 C ATOM 1380 O GLY A 149 9.748 11.494 9.372 1.00 0.00 O ATOM 0 H GLY A 149 10.890 13.210 8.198 1.00 0.00 H new ATOM 0 HA2 GLY A 149 12.580 10.981 8.966 1.00 0.00 H new ATOM 0 HA3 GLY A 149 12.799 12.463 9.876 1.00 0.00 H new ATOM 1384 N HIS A 150 10.867 11.580 11.333 1.00 0.00 N ATOM 1385 CA HIS A 150 9.736 11.304 12.212 1.00 0.00 C ATOM 1386 C HIS A 150 9.628 12.386 13.293 1.00 0.00 C ATOM 1387 O HIS A 150 10.494 13.260 13.382 1.00 0.00 O ATOM 1388 CB HIS A 150 9.876 9.877 12.754 1.00 0.00 C ATOM 1389 CG HIS A 150 9.545 8.846 11.699 1.00 0.00 C ATOM 1390 ND1 HIS A 150 10.425 8.012 11.041 1.00 0.00 N ATOM 1391 CD2 HIS A 150 8.299 8.629 11.174 1.00 0.00 C ATOM 1392 CE1 HIS A 150 9.714 7.305 10.143 1.00 0.00 C ATOM 1393 NE2 HIS A 150 8.405 7.633 10.197 1.00 0.00 N ATOM 0 H HIS A 150 11.738 11.726 11.843 1.00 0.00 H new ATOM 0 HA HIS A 150 8.791 11.347 11.671 1.00 0.00 H new ATOM 0 HB2 HIS A 150 10.894 9.721 13.110 1.00 0.00 H new ATOM 0 HB3 HIS A 150 9.215 9.746 13.611 1.00 0.00 H new ATOM 0 HD2 HIS A 150 7.392 9.138 11.464 1.00 0.00 H new ATOM 0 HE1 HIS A 150 10.134 6.573 9.469 1.00 0.00 H new ATOM 0 HE2 HIS A 150 7.649 7.236 9.640 1.00 0.00 H new ATOM 1401 N SER A 151 8.529 12.394 14.047 1.00 0.00 N ATOM 1402 CA SER A 151 8.148 13.507 14.911 1.00 0.00 C ATOM 1403 C SER A 151 7.246 13.028 16.048 1.00 0.00 C ATOM 1404 O SER A 151 7.518 13.337 17.213 1.00 0.00 O ATOM 1405 CB SER A 151 7.436 14.564 14.050 1.00 0.00 C ATOM 1406 OG SER A 151 7.015 15.682 14.811 1.00 0.00 O ATOM 0 H SER A 151 7.870 11.616 14.074 1.00 0.00 H new ATOM 0 HA SER A 151 9.036 13.943 15.368 1.00 0.00 H new ATOM 0 HB2 SER A 151 8.108 14.898 13.259 1.00 0.00 H new ATOM 0 HB3 SER A 151 6.571 14.112 13.564 1.00 0.00 H new ATOM 0 HG SER A 151 6.569 16.328 14.224 1.00 0.00 H new TER 1412 SER A 151