USER MOD reduce.3.24.130724 H: found=0, std=0, add=1043, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1045 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 145 THR OG1 : rot 94:sc= 0.359 USER MOD Set 1.2: A 147 ASN :FLIP amide:sc= -4.72! C(o=-6.9!,f=-4.4!) USER MOD Set 2.1: A 50 ASN : amide:sc= -0.0283 K(o=-0.028,f=-0.84) USER MOD Set 2.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 86 SER OG : rot -63:sc= 0.051 USER MOD Set 3.2: A 87 ASN : amide:sc= -0.532! C(o=-0.48!,f=-11!) USER MOD Set 4.1: A 47 TYR OH : rot -169:sc= -6.66! USER MOD Set 4.2: A 79 HIS : no HD1:sc= -5.48! C(o=-12!,f=-12!) USER MOD Set 5.1: A 16 MET CE :methyl -169:sc= -9.34! (180deg=-6.48!) USER MOD Set 5.2: A 144 THR OG1 : rot 55:sc= -6.89! USER MOD Single : A 3 HIS :FLIP no HD1:sc= -8.73! C(o=-13!,f=-8.7!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.34 USER MOD Single : A 8 SER OG : rot -73:sc= 0.294 USER MOD Single : A 12 TYR OH : rot -6:sc= -2.04! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 20 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0273) USER MOD Single : A 21 THR OG1 : rot -4:sc= 0.38 USER MOD Single : A 22 GLN :FLIP amide:sc= -0.562 F(o=-1.4,f=-0.56) USER MOD Single : A 24 ASN :FLIP amide:sc= -1.78! C(o=-2.5!,f=-1.8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl -119:sc= -8.85! (180deg=-10.3!) USER MOD Single : A 30 THR OG1 : rot 145:sc= -6.08! USER MOD Single : A 34 ASN :FLIP amide:sc= 0.0327 F(o=-0.89,f=0.033) USER MOD Single : A 37 SER OG : rot 39:sc= -3.03! USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 46 THR OG1 : rot 107:sc= -0.533! USER MOD Single : A 51 SER OG : rot -69:sc= -0.452! USER MOD Single : A 52 ASN : amide:sc= -1.07! C(o=-1.1!,f=-1.1!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0356 USER MOD Single : A 62 TYR OH : rot 30:sc= -1.78! USER MOD Single : A 63 ASN : amide:sc= -6.11! C(o=-6.1!,f=-5.8!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.664 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 77:sc= 0.00887 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0469 USER MOD Single : A 76 GLN :FLIP amide:sc= -3.84! C(o=-5.1!,f=-3.8!) USER MOD Single : A 83 SER OG : rot -77:sc= -6.25! USER MOD Single : A 84 THR OG1 : rot 180:sc= -2.49! USER MOD Single : A 85 THR OG1 : rot 120:sc= -1.78! USER MOD Single : A 88 TYR OH : rot 91:sc= 1.1 USER MOD Single : A 90 GLN : amide:sc= -0.633 X(o=-0.63,f=-0.88) USER MOD Single : A 92 GLN : amide:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 80:sc= -0.845 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 106 THR OG1 : rot 53:sc= -0.259 USER MOD Single : A 110 ASN : amide:sc= -4.38! C(o=-4.4!,f=-4.9!) USER MOD Single : A 111 SER OG : rot -150:sc= -7.58! USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0.29) USER MOD Single : A 117 HIS :FLIP no HE2:sc= -2.09 F(o=-3.6!,f=-2.1) USER MOD Single : A 122 TYR OH : rot -97:sc= 0.241 USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0.052) USER MOD Single : A 124 ASN : amide:sc= -0.397 K(o=-0.4,f=-2.8!) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 59:sc= 0.945 USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.0742 USER MOD Single : A 132 SER OG : rot 54:sc= 0.343 USER MOD Single : A 138 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.2!) USER MOD Single : A 139 MET CE :methyl -123:sc= -3.36! (180deg=-4.59!) USER MOD Single : A 140 LYS NZ :NH3+ 163:sc= -0.222 (180deg=-0.678) USER MOD Single : A 146 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.12) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 153 LYS NZ :NH3+ -153:sc= -0.106 (180deg=-0.569) USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 8.004 -2.591 17.644 1.00 0.00 N ATOM 32 CA HIS A 3 6.924 -3.328 16.998 1.00 0.00 C ATOM 33 C HIS A 3 5.564 -2.862 17.512 1.00 0.00 C ATOM 34 O HIS A 3 5.481 -2.091 18.467 1.00 0.00 O ATOM 35 CB HIS A 3 7.088 -4.830 17.239 1.00 0.00 C ATOM 36 CG HIS A 3 6.523 -5.293 18.546 1.00 0.00 C ATOM 37 ND1 HIS A 3 5.272 -5.194 19.054 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 7.273 -5.944 19.502 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 5.290 -5.782 20.295 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 6.507 -6.228 20.542 1.00 0.00 N flip ATOM 0 HA HIS A 3 6.973 -3.132 15.927 1.00 0.00 H new ATOM 0 HB2 HIS A 3 6.602 -5.374 16.429 1.00 0.00 H new ATOM 0 HB3 HIS A 3 8.148 -5.082 17.201 1.00 0.00 H new ATOM 0 HD2 HIS A 3 8.322 -6.185 19.415 1.00 0.00 H new ATOM 0 HE1 HIS A 3 4.444 -5.866 20.961 1.00 0.00 H new ATOM 0 HE2 HIS A 3 6.806 -6.709 21.390 1.00 0.00 H new ATOM 49 N CYS A 4 4.500 -3.335 16.869 1.00 0.00 N ATOM 50 CA CYS A 4 3.144 -2.965 17.261 1.00 0.00 C ATOM 51 C CYS A 4 2.212 -4.172 17.206 1.00 0.00 C ATOM 52 O CYS A 4 2.039 -4.788 16.155 1.00 0.00 O ATOM 53 CB CYS A 4 2.615 -1.856 16.351 1.00 0.00 C ATOM 54 SG CYS A 4 3.542 -0.292 16.464 1.00 0.00 S ATOM 0 H CYS A 4 4.551 -3.974 16.076 1.00 0.00 H new ATOM 0 HA CYS A 4 3.175 -2.601 18.288 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.639 -2.206 15.319 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.571 -1.665 16.599 1.00 0.00 H new ATOM 59 N VAL A 5 1.612 -4.502 18.347 1.00 0.00 N ATOM 60 CA VAL A 5 0.695 -5.633 18.428 1.00 0.00 C ATOM 61 C VAL A 5 -0.731 -5.209 18.091 1.00 0.00 C ATOM 62 O VAL A 5 -1.275 -4.287 18.698 1.00 0.00 O ATOM 63 CB VAL A 5 0.710 -6.277 19.829 1.00 0.00 C ATOM 64 CG1 VAL A 5 1.775 -7.360 19.907 1.00 0.00 C ATOM 65 CG2 VAL A 5 0.927 -5.224 20.905 1.00 0.00 C ATOM 0 H VAL A 5 1.745 -4.002 19.226 1.00 0.00 H new ATOM 0 HA VAL A 5 1.037 -6.367 17.698 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.261 -6.741 20.004 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.771 -7.803 20.903 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.565 -8.131 19.166 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.754 -6.923 19.708 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.934 -5.701 21.885 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.881 -4.724 20.738 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.122 -4.491 20.864 1.00 0.00 H new ATOM 75 N THR A 6 -1.329 -5.887 17.117 1.00 0.00 N ATOM 76 CA THR A 6 -2.692 -5.580 16.698 1.00 0.00 C ATOM 77 C THR A 6 -3.333 -6.771 15.993 1.00 0.00 C ATOM 78 O THR A 6 -2.790 -7.876 16.002 1.00 0.00 O ATOM 79 CB THR A 6 -2.728 -4.364 15.755 1.00 0.00 C ATOM 80 OG1 THR A 6 -4.058 -3.837 15.683 1.00 0.00 O ATOM 81 CG2 THR A 6 -2.251 -4.746 14.362 1.00 0.00 C ATOM 0 H THR A 6 -0.892 -6.652 16.603 1.00 0.00 H new ATOM 0 HA THR A 6 -3.255 -5.349 17.602 1.00 0.00 H new ATOM 0 HB THR A 6 -2.059 -3.602 16.155 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.071 -3.063 15.082 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.285 -3.871 13.713 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.228 -5.117 14.417 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.898 -5.524 13.956 1.00 0.00 H new ATOM 89 N ASP A 7 -4.490 -6.537 15.383 1.00 0.00 N ATOM 90 CA ASP A 7 -5.207 -7.589 14.672 1.00 0.00 C ATOM 91 C ASP A 7 -5.744 -8.639 15.639 1.00 0.00 C ATOM 92 O ASP A 7 -6.266 -9.672 15.221 1.00 0.00 O ATOM 93 CB ASP A 7 -4.291 -8.250 13.640 1.00 0.00 C ATOM 94 CG ASP A 7 -4.475 -7.676 12.250 1.00 0.00 C ATOM 95 OD1 ASP A 7 -3.900 -6.603 11.971 1.00 0.00 O ATOM 96 OD2 ASP A 7 -5.193 -8.298 11.440 1.00 0.00 O ATOM 0 H ASP A 7 -4.951 -5.627 15.367 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.053 -7.132 14.159 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.253 -8.124 13.947 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.489 -9.322 13.616 1.00 0.00 H new ATOM 101 N SER A 8 -5.611 -8.369 16.935 1.00 0.00 N ATOM 102 CA SER A 8 -6.083 -9.292 17.961 1.00 0.00 C ATOM 103 C SER A 8 -5.027 -10.349 18.264 1.00 0.00 C ATOM 104 O SER A 8 -5.323 -11.386 18.857 1.00 0.00 O ATOM 105 CB SER A 8 -7.383 -9.965 17.516 1.00 0.00 C ATOM 106 OG SER A 8 -7.153 -11.304 17.113 1.00 0.00 O ATOM 0 H SER A 8 -5.180 -7.519 17.299 1.00 0.00 H new ATOM 0 HA SER A 8 -6.273 -8.721 18.869 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.104 -9.947 18.334 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.822 -9.404 16.691 1.00 0.00 H new ATOM 0 HG SER A 8 -6.694 -11.311 16.247 1.00 0.00 H new ATOM 112 N GLY A 9 -3.792 -10.078 17.852 1.00 0.00 N ATOM 113 CA GLY A 9 -2.711 -11.015 18.090 1.00 0.00 C ATOM 114 C GLY A 9 -1.678 -11.006 16.979 1.00 0.00 C ATOM 115 O GLY A 9 -1.143 -12.051 16.613 1.00 0.00 O ATOM 0 H GLY A 9 -3.522 -9.227 17.358 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.225 -10.772 19.035 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.121 -12.020 18.192 1.00 0.00 H new ATOM 119 N VAL A 10 -1.398 -9.822 16.442 1.00 0.00 N ATOM 120 CA VAL A 10 -0.422 -9.683 15.369 1.00 0.00 C ATOM 121 C VAL A 10 0.506 -8.500 15.622 1.00 0.00 C ATOM 122 O VAL A 10 0.075 -7.347 15.613 1.00 0.00 O ATOM 123 CB VAL A 10 -1.111 -9.498 14.003 1.00 0.00 C ATOM 124 CG1 VAL A 10 -0.170 -9.888 12.875 1.00 0.00 C ATOM 125 CG2 VAL A 10 -2.397 -10.306 13.940 1.00 0.00 C ATOM 0 H VAL A 10 -1.833 -8.947 16.733 1.00 0.00 H new ATOM 0 HA VAL A 10 0.162 -10.603 15.351 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.366 -8.445 13.884 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.673 -9.751 11.918 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.720 -9.260 12.910 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.119 -10.933 12.987 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.869 -10.163 12.968 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.170 -11.363 14.081 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.075 -9.973 14.726 1.00 0.00 H new ATOM 135 N VAL A 11 1.782 -8.794 15.847 1.00 0.00 N ATOM 136 CA VAL A 11 2.771 -7.755 16.104 1.00 0.00 C ATOM 137 C VAL A 11 3.580 -7.443 14.848 1.00 0.00 C ATOM 138 O VAL A 11 4.336 -8.281 14.359 1.00 0.00 O ATOM 139 CB VAL A 11 3.726 -8.163 17.247 1.00 0.00 C ATOM 140 CG1 VAL A 11 4.061 -9.643 17.159 1.00 0.00 C ATOM 141 CG2 VAL A 11 4.993 -7.317 17.233 1.00 0.00 C ATOM 0 H VAL A 11 2.155 -9.743 15.856 1.00 0.00 H new ATOM 0 HA VAL A 11 2.227 -6.860 16.404 1.00 0.00 H new ATOM 0 HB VAL A 11 3.217 -7.982 18.194 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.735 -9.912 17.972 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.145 -10.229 17.238 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.544 -9.851 16.204 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.646 -7.627 18.049 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.510 -7.452 16.283 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.730 -6.266 17.357 1.00 0.00 H new ATOM 151 N TYR A 12 3.413 -6.229 14.336 1.00 0.00 N ATOM 152 CA TYR A 12 4.127 -5.796 13.141 1.00 0.00 C ATOM 153 C TYR A 12 5.249 -4.829 13.504 1.00 0.00 C ATOM 154 O TYR A 12 4.998 -3.677 13.858 1.00 0.00 O ATOM 155 CB TYR A 12 3.162 -5.130 12.159 1.00 0.00 C ATOM 156 CG TYR A 12 1.974 -5.992 11.796 1.00 0.00 C ATOM 157 CD1 TYR A 12 2.101 -7.034 10.887 1.00 0.00 C ATOM 158 CD2 TYR A 12 0.727 -5.765 12.364 1.00 0.00 C ATOM 159 CE1 TYR A 12 1.018 -7.825 10.553 1.00 0.00 C ATOM 160 CE2 TYR A 12 -0.361 -6.551 12.036 1.00 0.00 C ATOM 161 CZ TYR A 12 -0.210 -7.579 11.130 1.00 0.00 C ATOM 162 OH TYR A 12 -1.290 -8.364 10.799 1.00 0.00 O ATOM 0 H TYR A 12 2.788 -5.526 14.731 1.00 0.00 H new ATOM 0 HA TYR A 12 4.565 -6.675 12.668 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.803 -4.196 12.592 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.704 -4.872 11.249 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.062 -7.229 10.434 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.606 -4.960 13.074 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.133 -8.631 9.844 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.324 -6.361 12.487 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.039 -8.979 10.078 1.00 0.00 H new ATOM 172 N SER A 13 6.486 -5.307 13.419 1.00 0.00 N ATOM 173 CA SER A 13 7.645 -4.485 13.742 1.00 0.00 C ATOM 174 C SER A 13 7.480 -3.070 13.196 1.00 0.00 C ATOM 175 O SER A 13 6.588 -2.804 12.391 1.00 0.00 O ATOM 176 CB SER A 13 8.918 -5.117 13.176 1.00 0.00 C ATOM 177 OG SER A 13 9.600 -5.868 14.166 1.00 0.00 O ATOM 0 H SER A 13 6.711 -6.259 13.129 1.00 0.00 H new ATOM 0 HA SER A 13 7.727 -4.428 14.827 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.664 -5.763 12.336 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.575 -4.337 12.791 1.00 0.00 H new ATOM 0 HG SER A 13 10.409 -6.263 13.778 1.00 0.00 H new ATOM 183 N VAL A 14 8.348 -2.167 13.639 1.00 0.00 N ATOM 184 CA VAL A 14 8.299 -0.778 13.192 1.00 0.00 C ATOM 185 C VAL A 14 8.408 -0.693 11.676 1.00 0.00 C ATOM 186 O VAL A 14 8.573 -1.709 11.001 1.00 0.00 O ATOM 187 CB VAL A 14 9.424 0.060 13.829 1.00 0.00 C ATOM 188 CG1 VAL A 14 9.045 1.532 13.864 1.00 0.00 C ATOM 189 CG2 VAL A 14 9.730 -0.446 15.227 1.00 0.00 C ATOM 0 H VAL A 14 9.093 -2.370 14.306 1.00 0.00 H new ATOM 0 HA VAL A 14 7.338 -0.373 13.510 1.00 0.00 H new ATOM 0 HB VAL A 14 10.320 -0.045 13.218 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.854 2.105 14.318 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.874 1.888 12.848 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.136 1.660 14.451 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.527 0.155 15.665 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.836 -0.370 15.845 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.048 -1.487 15.176 1.00 0.00 H new ATOM 199 N GLY A 15 8.302 0.520 11.140 1.00 0.00 N ATOM 200 CA GLY A 15 8.379 0.696 9.704 1.00 0.00 C ATOM 201 C GLY A 15 7.681 -0.426 8.970 1.00 0.00 C ATOM 202 O GLY A 15 8.084 -0.806 7.869 1.00 0.00 O ATOM 0 H GLY A 15 8.165 1.379 11.673 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.927 1.649 9.428 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.424 0.738 9.397 1.00 0.00 H new ATOM 206 N MET A 16 6.634 -0.965 9.587 1.00 0.00 N ATOM 207 CA MET A 16 5.879 -2.065 8.989 1.00 0.00 C ATOM 208 C MET A 16 4.393 -1.734 8.901 1.00 0.00 C ATOM 209 O MET A 16 3.746 -1.461 9.912 1.00 0.00 O ATOM 210 CB MET A 16 6.077 -3.346 9.800 1.00 0.00 C ATOM 211 CG MET A 16 5.713 -4.609 9.036 1.00 0.00 C ATOM 212 SD MET A 16 5.847 -6.096 10.046 1.00 0.00 S ATOM 213 CE MET A 16 6.533 -7.248 8.860 1.00 0.00 C ATOM 0 H MET A 16 6.289 -0.661 10.497 1.00 0.00 H new ATOM 0 HA MET A 16 6.256 -2.216 7.977 1.00 0.00 H new ATOM 0 HB2 MET A 16 7.118 -3.409 10.116 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.472 -3.291 10.705 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.694 -4.520 8.660 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.365 -4.704 8.168 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.494 -8.258 9.269 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.955 -7.207 7.937 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.569 -6.981 8.651 1.00 0.00 H new ATOM 223 N GLN A 17 3.860 -1.762 7.683 1.00 0.00 N ATOM 224 CA GLN A 17 2.450 -1.468 7.459 1.00 0.00 C ATOM 225 C GLN A 17 1.607 -2.735 7.542 1.00 0.00 C ATOM 226 O GLN A 17 2.134 -3.847 7.521 1.00 0.00 O ATOM 227 CB GLN A 17 2.258 -0.802 6.095 1.00 0.00 C ATOM 228 CG GLN A 17 3.430 0.068 5.671 1.00 0.00 C ATOM 229 CD GLN A 17 3.326 0.525 4.230 1.00 0.00 C ATOM 230 OE1 GLN A 17 2.229 0.661 3.687 1.00 0.00 O ATOM 231 NE2 GLN A 17 4.470 0.767 3.602 1.00 0.00 N ATOM 0 H GLN A 17 4.384 -1.985 6.837 1.00 0.00 H new ATOM 0 HA GLN A 17 2.120 -0.784 8.241 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.099 -1.574 5.342 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.355 -0.192 6.122 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.484 0.941 6.322 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.358 -0.488 5.806 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.357 0.641 4.091 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.463 1.079 2.631 1.00 0.00 H new ATOM 240 N TRP A 18 0.292 -2.559 7.634 1.00 0.00 N ATOM 241 CA TRP A 18 -0.627 -3.688 7.720 1.00 0.00 C ATOM 242 C TRP A 18 -2.075 -3.215 7.652 1.00 0.00 C ATOM 243 O TRP A 18 -2.399 -2.110 8.088 1.00 0.00 O ATOM 244 CB TRP A 18 -0.392 -4.468 9.015 1.00 0.00 C ATOM 245 CG TRP A 18 -1.028 -3.838 10.215 1.00 0.00 C ATOM 246 CD1 TRP A 18 -2.338 -3.925 10.588 1.00 0.00 C ATOM 247 CD2 TRP A 18 -0.382 -3.024 11.202 1.00 0.00 C ATOM 248 NE1 TRP A 18 -2.547 -3.215 11.747 1.00 0.00 N ATOM 249 CE2 TRP A 18 -1.362 -2.653 12.143 1.00 0.00 C ATOM 250 CE3 TRP A 18 0.929 -2.574 11.380 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -1.069 -1.854 13.245 1.00 0.00 C ATOM 252 CZ3 TRP A 18 1.217 -1.781 12.475 1.00 0.00 C ATOM 253 CH2 TRP A 18 0.222 -1.428 13.395 1.00 0.00 C ATOM 0 H TRP A 18 -0.160 -1.645 7.651 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.437 -4.345 6.871 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.781 -5.479 8.896 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.681 -4.557 9.187 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.099 -4.472 10.051 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.439 -3.122 12.233 1.00 0.00 H new ATOM 0 HE3 TRP A 18 1.703 -2.841 10.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.834 -1.580 13.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.227 -1.428 12.624 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.479 -0.807 14.240 1.00 0.00 H new ATOM 264 N LEU A 19 -2.943 -4.058 7.101 1.00 0.00 N ATOM 265 CA LEU A 19 -4.357 -3.725 6.975 1.00 0.00 C ATOM 266 C LEU A 19 -5.092 -3.969 8.289 1.00 0.00 C ATOM 267 O LEU A 19 -4.899 -4.996 8.939 1.00 0.00 O ATOM 268 CB LEU A 19 -4.999 -4.550 5.858 1.00 0.00 C ATOM 269 CG LEU A 19 -5.243 -3.790 4.553 1.00 0.00 C ATOM 270 CD1 LEU A 19 -6.001 -4.662 3.563 1.00 0.00 C ATOM 271 CD2 LEU A 19 -6.004 -2.500 4.821 1.00 0.00 C ATOM 0 H LEU A 19 -2.692 -4.976 6.735 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.435 -2.667 6.727 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.361 -5.408 5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.951 -4.941 6.217 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.277 -3.534 4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.166 -4.106 2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.419 -5.558 3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.962 -4.948 3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.168 -1.973 3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.965 -2.733 5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.424 -1.869 5.495 1.00 0.00 H new ATOM 283 N LYS A 20 -5.937 -3.018 8.673 1.00 0.00 N ATOM 284 CA LYS A 20 -6.701 -3.130 9.910 1.00 0.00 C ATOM 285 C LYS A 20 -7.842 -2.118 9.940 1.00 0.00 C ATOM 286 O LYS A 20 -7.663 -0.954 9.582 1.00 0.00 O ATOM 287 CB LYS A 20 -5.788 -2.922 11.119 1.00 0.00 C ATOM 288 CG LYS A 20 -5.574 -4.181 11.941 1.00 0.00 C ATOM 289 CD LYS A 20 -6.884 -4.911 12.190 1.00 0.00 C ATOM 290 CE LYS A 20 -6.856 -6.319 11.618 1.00 0.00 C ATOM 291 NZ LYS A 20 -8.088 -6.630 10.844 1.00 0.00 N ATOM 0 H LYS A 20 -6.110 -2.162 8.146 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.128 -4.132 9.953 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.821 -2.554 10.775 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.215 -2.149 11.758 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.880 -4.842 11.422 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.114 -3.921 12.894 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.078 -4.957 13.262 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.704 -4.351 11.741 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.985 -6.431 10.973 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.746 -7.038 12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.099 -7.641 10.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.925 -6.402 11.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.102 -6.064 9.971 1.00 0.00 H new ATOM 305 N THR A 21 -9.015 -2.571 10.369 1.00 0.00 N ATOM 306 CA THR A 21 -10.187 -1.706 10.445 1.00 0.00 C ATOM 307 C THR A 21 -10.121 -0.799 11.669 1.00 0.00 C ATOM 308 O THR A 21 -9.753 -1.236 12.759 1.00 0.00 O ATOM 309 CB THR A 21 -11.489 -2.527 10.500 1.00 0.00 C ATOM 310 OG1 THR A 21 -12.615 -1.679 10.245 1.00 0.00 O ATOM 311 CG2 THR A 21 -11.650 -3.197 11.856 1.00 0.00 C ATOM 0 H THR A 21 -9.180 -3.532 10.669 1.00 0.00 H new ATOM 0 HA THR A 21 -10.189 -1.096 9.542 1.00 0.00 H new ATOM 0 HB THR A 21 -11.436 -3.301 9.734 1.00 0.00 H new ATOM 0 HG1 THR A 21 -12.312 -0.751 10.155 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.577 -3.771 11.871 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.807 -3.864 12.034 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.682 -2.436 12.636 1.00 0.00 H new ATOM 319 N GLN A 22 -10.481 0.466 11.481 1.00 0.00 N ATOM 320 CA GLN A 22 -10.463 1.436 12.569 1.00 0.00 C ATOM 321 C GLN A 22 -11.877 1.897 12.909 1.00 0.00 C ATOM 322 O GLN A 22 -12.138 3.095 13.028 1.00 0.00 O ATOM 323 CB GLN A 22 -9.598 2.640 12.193 1.00 0.00 C ATOM 324 CG GLN A 22 -9.376 3.612 13.341 1.00 0.00 C ATOM 325 CD GLN A 22 -8.541 4.811 12.937 1.00 0.00 C ATOM 326 OE1 GLN A 22 -7.278 4.567 12.603 1.00 0.00 O flip ATOM 327 NE2 GLN A 22 -9.023 5.943 12.926 1.00 0.00 N flip ATOM 0 H GLN A 22 -10.789 0.843 10.585 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.036 0.952 13.447 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.631 2.285 11.836 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.068 3.170 11.365 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.341 3.955 13.713 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.884 3.092 14.163 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.998 6.085 13.190 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.448 6.740 12.653 1.00 0.00 H new ATOM 336 N GLY A 23 -12.785 0.940 13.063 1.00 0.00 N ATOM 337 CA GLY A 23 -14.160 1.268 13.387 1.00 0.00 C ATOM 338 C GLY A 23 -15.156 0.450 12.586 1.00 0.00 C ATOM 339 O GLY A 23 -15.624 -0.591 13.043 1.00 0.00 O ATOM 0 H GLY A 23 -12.593 -0.057 12.969 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.329 1.101 14.451 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.331 2.328 13.200 1.00 0.00 H new ATOM 343 N ASN A 24 -15.478 0.926 11.389 1.00 0.00 N ATOM 344 CA ASN A 24 -16.424 0.233 10.521 1.00 0.00 C ATOM 345 C ASN A 24 -15.861 0.082 9.112 1.00 0.00 C ATOM 346 O ASN A 24 -16.585 -0.255 8.176 1.00 0.00 O ATOM 347 CB ASN A 24 -17.752 0.990 10.473 1.00 0.00 C ATOM 348 CG ASN A 24 -18.738 0.368 9.503 1.00 0.00 C ATOM 349 OD1 ASN A 24 -18.754 0.870 8.274 1.00 0.00 O flip ATOM 350 ND2 ASN A 24 -19.478 -0.551 9.855 1.00 0.00 N flip ATOM 0 H ASN A 24 -15.099 1.788 10.997 1.00 0.00 H new ATOM 0 HA ASN A 24 -16.595 -0.762 10.933 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -18.192 1.010 11.470 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -17.567 2.025 10.185 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -19.432 -0.906 10.810 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.137 -0.958 9.191 1.00 0.00 H new ATOM 357 N LYS A 25 -14.564 0.334 8.968 1.00 0.00 N ATOM 358 CA LYS A 25 -13.903 0.226 7.672 1.00 0.00 C ATOM 359 C LYS A 25 -12.438 -0.165 7.839 1.00 0.00 C ATOM 360 O LYS A 25 -11.842 0.060 8.891 1.00 0.00 O ATOM 361 CB LYS A 25 -14.006 1.550 6.912 1.00 0.00 C ATOM 362 CG LYS A 25 -13.448 2.737 7.679 1.00 0.00 C ATOM 363 CD LYS A 25 -14.518 3.405 8.528 1.00 0.00 C ATOM 364 CE LYS A 25 -14.526 4.912 8.331 1.00 0.00 C ATOM 365 NZ LYS A 25 -14.122 5.636 9.568 1.00 0.00 N ATOM 0 H LYS A 25 -13.950 0.614 9.733 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.405 -0.554 7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.474 1.458 5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.052 1.742 6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.629 2.406 8.318 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.033 3.462 6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -15.496 2.998 8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.345 3.175 9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.849 5.175 7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.523 5.234 8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.140 6.661 9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.783 5.405 10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.160 5.349 9.840 1.00 0.00 H new ATOM 379 N GLN A 26 -11.865 -0.752 6.793 1.00 0.00 N ATOM 380 CA GLN A 26 -10.470 -1.174 6.823 1.00 0.00 C ATOM 381 C GLN A 26 -9.535 0.026 6.700 1.00 0.00 C ATOM 382 O GLN A 26 -9.757 0.915 5.879 1.00 0.00 O ATOM 383 CB GLN A 26 -10.191 -2.169 5.695 1.00 0.00 C ATOM 384 CG GLN A 26 -11.142 -3.356 5.683 1.00 0.00 C ATOM 385 CD GLN A 26 -11.596 -3.723 4.284 1.00 0.00 C ATOM 386 OE1 GLN A 26 -10.822 -4.250 3.486 1.00 0.00 O ATOM 387 NE2 GLN A 26 -12.860 -3.446 3.980 1.00 0.00 N ATOM 0 H GLN A 26 -12.346 -0.946 5.914 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.285 -1.660 7.781 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.258 -1.650 4.739 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.168 -2.534 5.788 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.651 -4.215 6.139 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.014 -3.125 6.295 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.467 -3.008 4.673 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.223 -3.671 3.054 1.00 0.00 H new ATOM 396 N MET A 27 -8.492 0.043 7.522 1.00 0.00 N ATOM 397 CA MET A 27 -7.524 1.134 7.506 1.00 0.00 C ATOM 398 C MET A 27 -6.098 0.596 7.429 1.00 0.00 C ATOM 399 O MET A 27 -5.829 -0.536 7.829 1.00 0.00 O ATOM 400 CB MET A 27 -7.686 2.007 8.751 1.00 0.00 C ATOM 401 CG MET A 27 -8.944 2.859 8.737 1.00 0.00 C ATOM 402 SD MET A 27 -8.746 4.406 9.643 1.00 0.00 S ATOM 403 CE MET A 27 -7.416 5.170 8.719 1.00 0.00 C ATOM 0 H MET A 27 -8.295 -0.686 8.208 1.00 0.00 H new ATOM 0 HA MET A 27 -7.713 1.740 6.620 1.00 0.00 H new ATOM 0 HB2 MET A 27 -7.700 1.368 9.634 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.817 2.658 8.843 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.217 3.079 7.705 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.767 2.291 9.171 1.00 0.00 H new ATOM 0 HE1 MET A 27 -6.560 5.326 9.375 1.00 0.00 H new ATOM 0 HE2 MET A 27 -7.126 4.520 7.893 1.00 0.00 H new ATOM 0 HE3 MET A 27 -7.751 6.130 8.325 1.00 0.00 H new ATOM 413 N LEU A 28 -5.189 1.417 6.914 1.00 0.00 N ATOM 414 CA LEU A 28 -3.791 1.023 6.785 1.00 0.00 C ATOM 415 C LEU A 28 -2.982 1.487 7.993 1.00 0.00 C ATOM 416 O LEU A 28 -2.715 2.678 8.154 1.00 0.00 O ATOM 417 CB LEU A 28 -3.192 1.605 5.503 1.00 0.00 C ATOM 418 CG LEU A 28 -3.711 0.981 4.205 1.00 0.00 C ATOM 419 CD1 LEU A 28 -3.337 1.847 3.012 1.00 0.00 C ATOM 420 CD2 LEU A 28 -3.166 -0.429 4.038 1.00 0.00 C ATOM 0 H LEU A 28 -5.395 2.358 6.580 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.749 -0.065 6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.393 2.676 5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.109 1.485 5.539 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.798 0.923 4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.714 1.389 2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.777 2.837 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.252 1.936 2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.545 -0.858 3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.077 -0.397 4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.485 -1.044 4.879 1.00 0.00 H new ATOM 432 N CYS A 29 -2.596 0.538 8.839 1.00 0.00 N ATOM 433 CA CYS A 29 -1.819 0.849 10.033 1.00 0.00 C ATOM 434 C CYS A 29 -0.387 0.342 9.896 1.00 0.00 C ATOM 435 O CYS A 29 -0.157 -0.799 9.496 1.00 0.00 O ATOM 436 CB CYS A 29 -2.475 0.230 11.268 1.00 0.00 C ATOM 437 SG CYS A 29 -4.191 0.772 11.551 1.00 0.00 S ATOM 0 H CYS A 29 -2.808 -0.453 8.720 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.793 1.933 10.148 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.460 -0.855 11.168 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.878 0.478 12.146 1.00 0.00 H new ATOM 442 N THR A 30 0.574 1.199 10.229 1.00 0.00 N ATOM 443 CA THR A 30 1.983 0.837 10.142 1.00 0.00 C ATOM 444 C THR A 30 2.732 1.221 11.410 1.00 0.00 C ATOM 445 O THR A 30 2.649 2.360 11.870 1.00 0.00 O ATOM 446 CB THR A 30 2.669 1.521 8.945 1.00 0.00 C ATOM 447 OG1 THR A 30 1.949 1.246 7.738 1.00 0.00 O ATOM 448 CG2 THR A 30 4.109 1.052 8.802 1.00 0.00 C ATOM 0 H THR A 30 0.402 2.148 10.561 1.00 0.00 H new ATOM 0 HA THR A 30 2.016 -0.244 10.010 1.00 0.00 H new ATOM 0 HB THR A 30 2.671 2.596 9.126 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.987 2.028 7.149 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.571 1.550 7.949 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.663 1.296 9.709 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.127 -0.027 8.645 1.00 0.00 H new ATOM 456 N CYS A 31 3.475 0.271 11.964 1.00 0.00 N ATOM 457 CA CYS A 31 4.250 0.524 13.168 1.00 0.00 C ATOM 458 C CYS A 31 5.402 1.469 12.856 1.00 0.00 C ATOM 459 O CYS A 31 6.146 1.252 11.900 1.00 0.00 O ATOM 460 CB CYS A 31 4.791 -0.787 13.743 1.00 0.00 C ATOM 461 SG CYS A 31 5.281 -0.686 15.495 1.00 0.00 S ATOM 0 H CYS A 31 3.556 -0.678 11.599 1.00 0.00 H new ATOM 0 HA CYS A 31 3.599 0.986 13.910 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.031 -1.560 13.634 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.652 -1.102 13.154 1.00 0.00 H new ATOM 466 N LEU A 32 5.538 2.521 13.655 1.00 0.00 N ATOM 467 CA LEU A 32 6.598 3.502 13.452 1.00 0.00 C ATOM 468 C LEU A 32 7.165 3.976 14.785 1.00 0.00 C ATOM 469 O LEU A 32 7.458 5.159 14.961 1.00 0.00 O ATOM 470 CB LEU A 32 6.067 4.695 12.654 1.00 0.00 C ATOM 471 CG LEU A 32 5.783 4.412 11.177 1.00 0.00 C ATOM 472 CD1 LEU A 32 4.656 5.298 10.672 1.00 0.00 C ATOM 473 CD2 LEU A 32 7.039 4.616 10.345 1.00 0.00 C ATOM 0 H LEU A 32 4.928 2.717 14.449 1.00 0.00 H new ATOM 0 HA LEU A 32 7.400 3.024 12.889 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.149 5.047 13.124 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.790 5.508 12.720 1.00 0.00 H new ATOM 0 HG LEU A 32 5.471 3.372 11.078 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.468 5.083 9.620 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.753 5.102 11.250 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.938 6.345 10.784 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.819 4.410 9.297 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.381 5.646 10.449 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.819 3.938 10.692 1.00 0.00 H new ATOM 485 N GLY A 33 7.318 3.046 15.722 1.00 0.00 N ATOM 486 CA GLY A 33 7.850 3.389 17.028 1.00 0.00 C ATOM 487 C GLY A 33 7.330 4.718 17.537 1.00 0.00 C ATOM 488 O GLY A 33 8.002 5.400 18.309 1.00 0.00 O ATOM 0 H GLY A 33 7.083 2.061 15.600 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.591 2.605 17.739 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.938 3.425 16.975 1.00 0.00 H new ATOM 492 N ASN A 34 6.130 5.087 17.102 1.00 0.00 N ATOM 493 CA ASN A 34 5.519 6.344 17.519 1.00 0.00 C ATOM 494 C ASN A 34 4.095 6.120 18.018 1.00 0.00 C ATOM 495 O ASN A 34 3.652 6.762 18.970 1.00 0.00 O ATOM 496 CB ASN A 34 5.514 7.341 16.359 1.00 0.00 C ATOM 497 CG ASN A 34 6.866 7.993 16.150 1.00 0.00 C ATOM 498 OD1 ASN A 34 7.204 8.946 17.011 1.00 0.00 O flip ATOM 499 ND2 ASN A 34 7.600 7.643 15.225 1.00 0.00 N flip ATOM 0 H ASN A 34 5.561 4.534 16.461 1.00 0.00 H new ATOM 0 HA ASN A 34 6.111 6.752 18.339 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.216 6.828 15.444 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.768 8.112 16.550 1.00 0.00 H new ATOM 0 HD21 ASN A 34 7.300 6.906 14.587 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.508 8.090 15.097 1.00 0.00 H new ATOM 506 N GLY A 35 3.385 5.204 17.370 1.00 0.00 N ATOM 507 CA GLY A 35 2.019 4.910 17.761 1.00 0.00 C ATOM 508 C GLY A 35 1.187 4.383 16.609 1.00 0.00 C ATOM 509 O GLY A 35 0.007 4.710 16.486 1.00 0.00 O ATOM 0 H GLY A 35 3.731 4.659 16.580 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.025 4.176 18.567 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.555 5.814 18.157 1.00 0.00 H new ATOM 513 N VAL A 36 1.804 3.563 15.766 1.00 0.00 N ATOM 514 CA VAL A 36 1.114 2.988 14.617 1.00 0.00 C ATOM 515 C VAL A 36 0.666 4.074 13.645 1.00 0.00 C ATOM 516 O VAL A 36 0.277 5.167 14.057 1.00 0.00 O ATOM 517 CB VAL A 36 -0.114 2.166 15.055 1.00 0.00 C ATOM 518 CG1 VAL A 36 -0.970 1.800 13.851 1.00 0.00 C ATOM 519 CG2 VAL A 36 0.319 0.918 15.809 1.00 0.00 C ATOM 0 H VAL A 36 2.780 3.281 15.856 1.00 0.00 H new ATOM 0 HA VAL A 36 1.824 2.329 14.117 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.716 2.778 15.727 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.832 1.220 14.180 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.312 2.710 13.358 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.380 1.208 13.152 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.562 0.351 16.110 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.944 0.302 15.163 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.885 1.206 16.695 1.00 0.00 H new ATOM 529 N SER A 37 0.721 3.765 12.354 1.00 0.00 N ATOM 530 CA SER A 37 0.319 4.715 11.324 1.00 0.00 C ATOM 531 C SER A 37 -0.950 4.248 10.618 1.00 0.00 C ATOM 532 O SER A 37 -0.895 3.714 9.510 1.00 0.00 O ATOM 533 CB SER A 37 1.445 4.899 10.304 1.00 0.00 C ATOM 534 OG SER A 37 2.124 6.127 10.509 1.00 0.00 O ATOM 0 H SER A 37 1.040 2.865 11.996 1.00 0.00 H new ATOM 0 HA SER A 37 0.114 5.671 11.806 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.151 4.072 10.384 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.034 4.871 9.295 1.00 0.00 H new ATOM 0 HG SER A 37 2.216 6.293 11.470 1.00 0.00 H new ATOM 540 N CYS A 38 -2.091 4.453 11.266 1.00 0.00 N ATOM 541 CA CYS A 38 -3.375 4.053 10.702 1.00 0.00 C ATOM 542 C CYS A 38 -3.911 5.123 9.756 1.00 0.00 C ATOM 543 O CYS A 38 -4.034 6.290 10.129 1.00 0.00 O ATOM 544 CB CYS A 38 -4.386 3.788 11.818 1.00 0.00 C ATOM 545 SG CYS A 38 -4.002 2.329 12.840 1.00 0.00 S ATOM 0 H CYS A 38 -2.153 4.894 12.183 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.224 3.135 10.134 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.438 4.666 12.462 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.374 3.658 11.375 1.00 0.00 H new ATOM 550 N GLN A 39 -4.228 4.717 8.532 1.00 0.00 N ATOM 551 CA GLN A 39 -4.752 5.641 7.532 1.00 0.00 C ATOM 552 C GLN A 39 -5.460 4.886 6.412 1.00 0.00 C ATOM 553 O GLN A 39 -5.099 3.755 6.087 1.00 0.00 O ATOM 554 CB GLN A 39 -3.622 6.494 6.953 1.00 0.00 C ATOM 555 CG GLN A 39 -2.839 5.798 5.851 1.00 0.00 C ATOM 556 CD GLN A 39 -1.511 6.471 5.566 1.00 0.00 C ATOM 557 OE1 GLN A 39 -1.248 7.576 6.039 1.00 0.00 O ATOM 558 NE2 GLN A 39 -0.666 5.805 4.787 1.00 0.00 N ATOM 0 H GLN A 39 -4.132 3.755 8.208 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.476 6.293 8.020 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.042 7.420 6.560 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.938 6.769 7.756 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.663 4.761 6.135 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.437 5.782 4.940 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.926 4.891 4.417 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.243 6.208 4.559 1.00 0.00 H new ATOM 567 N GLU A 40 -6.472 5.519 5.826 1.00 0.00 N ATOM 568 CA GLU A 40 -7.231 4.906 4.742 1.00 0.00 C ATOM 569 C GLU A 40 -6.346 4.673 3.522 1.00 0.00 C ATOM 570 O GLU A 40 -5.128 4.839 3.585 1.00 0.00 O ATOM 571 CB GLU A 40 -8.421 5.789 4.362 1.00 0.00 C ATOM 572 CG GLU A 40 -9.756 5.257 4.858 1.00 0.00 C ATOM 573 CD GLU A 40 -10.779 6.355 5.069 1.00 0.00 C ATOM 574 OE1 GLU A 40 -10.784 7.322 4.277 1.00 0.00 O ATOM 575 OE2 GLU A 40 -11.577 6.248 6.023 1.00 0.00 O ATOM 0 H GLU A 40 -6.785 6.455 6.084 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.600 3.941 5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.265 6.789 4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.459 5.887 3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.145 4.536 4.139 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.604 4.722 5.795 1.00 0.00 H new ATOM 636 N GLN A 45 -3.738 11.470 -6.055 1.00 0.00 N ATOM 637 CA GLN A 45 -4.329 12.755 -6.412 1.00 0.00 C ATOM 638 C GLN A 45 -3.273 13.854 -6.434 1.00 0.00 C ATOM 639 O GLN A 45 -3.172 14.649 -5.500 1.00 0.00 O ATOM 640 CB GLN A 45 -5.442 13.120 -5.428 1.00 0.00 C ATOM 641 CG GLN A 45 -6.607 13.853 -6.072 1.00 0.00 C ATOM 642 CD GLN A 45 -7.689 14.218 -5.075 1.00 0.00 C ATOM 643 OE1 GLN A 45 -7.875 13.537 -4.066 1.00 0.00 O ATOM 644 NE2 GLN A 45 -8.410 15.299 -5.352 1.00 0.00 N ATOM 0 HA GLN A 45 -4.753 12.665 -7.412 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -5.812 12.209 -4.957 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.026 13.742 -4.636 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.240 14.760 -6.552 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.036 13.228 -6.856 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.222 15.834 -6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.152 15.594 -4.717 1.00 0.00 H new ATOM 653 N THR A 46 -2.487 13.893 -7.505 1.00 0.00 N ATOM 654 CA THR A 46 -1.439 14.896 -7.650 1.00 0.00 C ATOM 655 C THR A 46 -1.873 16.232 -7.060 1.00 0.00 C ATOM 656 O THR A 46 -2.967 16.720 -7.341 1.00 0.00 O ATOM 657 CB THR A 46 -1.057 15.100 -9.126 1.00 0.00 C ATOM 658 OG1 THR A 46 -2.230 15.057 -9.947 1.00 0.00 O ATOM 659 CG2 THR A 46 -0.073 14.033 -9.583 1.00 0.00 C ATOM 0 H THR A 46 -2.556 13.241 -8.286 1.00 0.00 H new ATOM 0 HA THR A 46 -0.570 14.526 -7.106 1.00 0.00 H new ATOM 0 HB THR A 46 -0.582 16.076 -9.223 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.441 15.960 -10.263 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.182 14.198 -10.630 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.831 14.088 -8.976 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.526 13.048 -9.471 1.00 0.00 H new ATOM 667 N TYR A 47 -1.008 16.820 -6.240 1.00 0.00 N ATOM 668 CA TYR A 47 -1.302 18.102 -5.610 1.00 0.00 C ATOM 669 C TYR A 47 -0.022 18.783 -5.136 1.00 0.00 C ATOM 670 O TYR A 47 1.020 18.141 -4.998 1.00 0.00 O ATOM 671 CB TYR A 47 -2.258 17.907 -4.431 1.00 0.00 C ATOM 672 CG TYR A 47 -1.642 17.163 -3.267 1.00 0.00 C ATOM 673 CD1 TYR A 47 -0.668 17.759 -2.476 1.00 0.00 C ATOM 674 CD2 TYR A 47 -2.036 15.867 -2.960 1.00 0.00 C ATOM 675 CE1 TYR A 47 -0.104 17.083 -1.410 1.00 0.00 C ATOM 676 CE2 TYR A 47 -1.478 15.185 -1.895 1.00 0.00 C ATOM 677 CZ TYR A 47 -0.513 15.798 -1.124 1.00 0.00 C ATOM 678 OH TYR A 47 0.046 15.122 -0.063 1.00 0.00 O ATOM 0 H TYR A 47 -0.098 16.429 -5.996 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.778 18.743 -6.353 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.601 18.883 -4.087 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.138 17.363 -4.774 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.346 18.766 -2.697 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.791 15.384 -3.563 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.653 17.559 -0.805 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.796 14.178 -1.668 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.216 14.179 -0.102 1.00 0.00 H new ATOM 688 N GLY A 48 -0.108 20.086 -4.890 1.00 0.00 N ATOM 689 CA GLY A 48 1.049 20.833 -4.435 1.00 0.00 C ATOM 690 C GLY A 48 2.172 20.840 -5.455 1.00 0.00 C ATOM 691 O GLY A 48 2.016 20.331 -6.564 1.00 0.00 O ATOM 0 H GLY A 48 -0.959 20.638 -4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.753 21.859 -4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.412 20.402 -3.502 1.00 0.00 H new ATOM 695 N GLY A 49 3.307 21.419 -5.076 1.00 0.00 N ATOM 696 CA GLY A 49 4.444 21.480 -5.976 1.00 0.00 C ATOM 697 C GLY A 49 4.271 22.526 -7.061 1.00 0.00 C ATOM 698 O GLY A 49 3.534 23.495 -6.886 1.00 0.00 O ATOM 0 H GLY A 49 3.460 21.847 -4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.345 21.701 -5.404 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.591 20.503 -6.437 1.00 0.00 H new ATOM 702 N ASN A 50 4.952 22.327 -8.184 1.00 0.00 N ATOM 703 CA ASN A 50 4.871 23.260 -9.302 1.00 0.00 C ATOM 704 C ASN A 50 3.669 22.946 -10.188 1.00 0.00 C ATOM 705 O ASN A 50 3.551 23.466 -11.297 1.00 0.00 O ATOM 706 CB ASN A 50 6.156 23.210 -10.130 1.00 0.00 C ATOM 707 CG ASN A 50 7.390 23.011 -9.272 1.00 0.00 C ATOM 708 OD1 ASN A 50 7.452 23.481 -8.136 1.00 0.00 O ATOM 709 ND2 ASN A 50 8.381 22.312 -9.812 1.00 0.00 N ATOM 0 H ASN A 50 5.566 21.528 -8.344 1.00 0.00 H new ATOM 0 HA ASN A 50 4.748 24.264 -8.896 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.086 22.399 -10.855 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.256 24.136 -10.696 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.236 22.146 -9.282 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.287 21.941 -10.757 1.00 0.00 H new ATOM 716 N SER A 51 2.781 22.092 -9.690 1.00 0.00 N ATOM 717 CA SER A 51 1.588 21.709 -10.436 1.00 0.00 C ATOM 718 C SER A 51 0.349 22.389 -9.866 1.00 0.00 C ATOM 719 O SER A 51 -0.600 22.684 -10.592 1.00 0.00 O ATOM 720 CB SER A 51 1.410 20.189 -10.409 1.00 0.00 C ATOM 721 OG SER A 51 0.574 19.794 -9.335 1.00 0.00 O ATOM 0 H SER A 51 2.865 21.652 -8.774 1.00 0.00 H new ATOM 0 HA SER A 51 1.715 22.034 -11.469 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.979 19.853 -11.352 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.383 19.707 -10.313 1.00 0.00 H new ATOM 0 HG SER A 51 1.038 19.949 -8.486 1.00 0.00 H new ATOM 727 N ASN A 52 0.364 22.636 -8.560 1.00 0.00 N ATOM 728 CA ASN A 52 -0.759 23.282 -7.891 1.00 0.00 C ATOM 729 C ASN A 52 -2.001 22.396 -7.930 1.00 0.00 C ATOM 730 O ASN A 52 -3.097 22.832 -7.576 1.00 0.00 O ATOM 731 CB ASN A 52 -1.059 24.632 -8.545 1.00 0.00 C ATOM 732 CG ASN A 52 -2.346 25.249 -8.034 1.00 0.00 C ATOM 733 OD1 ASN A 52 -3.292 25.458 -8.794 1.00 0.00 O ATOM 734 ND2 ASN A 52 -2.388 25.546 -6.740 1.00 0.00 N ATOM 0 H ASN A 52 1.142 22.398 -7.944 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.485 23.443 -6.848 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.232 25.316 -8.356 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.125 24.502 -9.625 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.228 25.964 -6.340 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.581 25.356 -6.147 1.00 0.00 H new ATOM 741 N GLY A 53 -1.823 21.152 -8.362 1.00 0.00 N ATOM 742 CA GLY A 53 -2.938 20.227 -8.437 1.00 0.00 C ATOM 743 C GLY A 53 -3.247 19.806 -9.860 1.00 0.00 C ATOM 744 O GLY A 53 -4.321 20.103 -10.383 1.00 0.00 O ATOM 0 H GLY A 53 -0.927 20.768 -8.661 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.713 19.343 -7.840 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.821 20.691 -7.999 1.00 0.00 H new ATOM 748 N GLU A 54 -2.305 19.111 -10.489 1.00 0.00 N ATOM 749 CA GLU A 54 -2.482 18.648 -11.860 1.00 0.00 C ATOM 750 C GLU A 54 -1.907 17.247 -12.041 1.00 0.00 C ATOM 751 O GLU A 54 -1.185 16.745 -11.178 1.00 0.00 O ATOM 752 CB GLU A 54 -1.814 19.615 -12.838 1.00 0.00 C ATOM 753 CG GLU A 54 -2.800 20.474 -13.613 1.00 0.00 C ATOM 754 CD GLU A 54 -2.602 21.957 -13.367 1.00 0.00 C ATOM 755 OE1 GLU A 54 -1.801 22.578 -14.097 1.00 0.00 O ATOM 756 OE2 GLU A 54 -3.248 22.497 -12.445 1.00 0.00 O ATOM 0 H GLU A 54 -1.410 18.856 -10.070 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.551 18.612 -12.068 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.134 20.265 -12.287 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.209 19.045 -13.543 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.695 20.269 -14.678 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.816 20.196 -13.334 1.00 0.00 H new ATOM 763 N PRO A 55 -2.222 16.600 -13.171 1.00 0.00 N ATOM 764 CA PRO A 55 -1.738 15.250 -13.474 1.00 0.00 C ATOM 765 C PRO A 55 -0.247 15.228 -13.792 1.00 0.00 C ATOM 766 O PRO A 55 0.408 16.269 -13.817 1.00 0.00 O ATOM 767 CB PRO A 55 -2.554 14.850 -14.705 1.00 0.00 C ATOM 768 CG PRO A 55 -2.908 16.141 -15.358 1.00 0.00 C ATOM 769 CD PRO A 55 -3.078 17.138 -14.244 1.00 0.00 C ATOM 0 HA PRO A 55 -1.858 14.573 -12.628 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.975 14.213 -15.374 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.446 14.290 -14.424 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.125 16.457 -16.048 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.825 16.045 -15.939 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.763 18.137 -14.547 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.118 17.214 -13.928 1.00 0.00 H new ATOM 777 N CYS A 56 0.283 14.034 -14.036 1.00 0.00 N ATOM 778 CA CYS A 56 1.698 13.876 -14.353 1.00 0.00 C ATOM 779 C CYS A 56 1.896 13.599 -15.839 1.00 0.00 C ATOM 780 O CYS A 56 0.948 13.648 -16.622 1.00 0.00 O ATOM 781 CB CYS A 56 2.305 12.742 -13.526 1.00 0.00 C ATOM 782 SG CYS A 56 1.571 12.554 -11.869 1.00 0.00 S ATOM 0 H CYS A 56 -0.246 13.162 -14.020 1.00 0.00 H new ATOM 0 HA CYS A 56 2.205 14.808 -14.105 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.188 11.806 -14.072 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.376 12.917 -13.420 1.00 0.00 H new ATOM 787 N VAL A 57 3.136 13.311 -16.217 1.00 0.00 N ATOM 788 CA VAL A 57 3.465 13.028 -17.608 1.00 0.00 C ATOM 789 C VAL A 57 4.663 12.090 -17.707 1.00 0.00 C ATOM 790 O VAL A 57 5.812 12.531 -17.691 1.00 0.00 O ATOM 791 CB VAL A 57 3.772 14.321 -18.386 1.00 0.00 C ATOM 792 CG1 VAL A 57 3.464 14.143 -19.865 1.00 0.00 C ATOM 793 CG2 VAL A 57 2.990 15.490 -17.805 1.00 0.00 C ATOM 0 H VAL A 57 3.930 13.267 -15.579 1.00 0.00 H new ATOM 0 HA VAL A 57 2.592 12.547 -18.050 1.00 0.00 H new ATOM 0 HB VAL A 57 4.835 14.540 -18.287 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.688 15.068 -20.397 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.074 13.335 -20.269 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.409 13.898 -19.990 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.219 16.396 -18.367 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.922 15.282 -17.871 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.268 15.631 -16.761 1.00 0.00 H new ATOM 803 N LEU A 58 4.386 10.794 -17.807 1.00 0.00 N ATOM 804 CA LEU A 58 5.443 9.793 -17.905 1.00 0.00 C ATOM 805 C LEU A 58 5.346 9.027 -19.222 1.00 0.00 C ATOM 806 O LEU A 58 4.433 9.255 -20.015 1.00 0.00 O ATOM 807 CB LEU A 58 5.359 8.822 -16.726 1.00 0.00 C ATOM 808 CG LEU A 58 4.208 9.080 -15.752 1.00 0.00 C ATOM 809 CD1 LEU A 58 3.845 7.805 -15.007 1.00 0.00 C ATOM 810 CD2 LEU A 58 4.573 10.187 -14.775 1.00 0.00 C ATOM 0 H LEU A 58 3.440 10.412 -17.822 1.00 0.00 H new ATOM 0 HA LEU A 58 6.404 10.307 -17.877 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.264 7.809 -17.116 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.298 8.864 -16.174 1.00 0.00 H new ATOM 0 HG LEU A 58 3.338 9.402 -16.324 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.024 8.007 -14.318 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.539 7.041 -15.721 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.711 7.452 -14.446 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.742 10.356 -14.090 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.457 9.895 -14.208 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.782 11.104 -15.326 1.00 0.00 H new ATOM 822 N PRO A 59 6.291 8.106 -19.471 1.00 0.00 N ATOM 823 CA PRO A 59 7.392 7.814 -18.543 1.00 0.00 C ATOM 824 C PRO A 59 8.279 9.028 -18.294 1.00 0.00 C ATOM 825 O PRO A 59 8.520 9.830 -19.196 1.00 0.00 O ATOM 826 CB PRO A 59 8.188 6.714 -19.257 1.00 0.00 C ATOM 827 CG PRO A 59 7.248 6.142 -20.262 1.00 0.00 C ATOM 828 CD PRO A 59 6.359 7.275 -20.683 1.00 0.00 C ATOM 0 HA PRO A 59 7.022 7.521 -17.560 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.078 7.120 -19.737 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.525 5.952 -18.554 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.789 5.732 -21.115 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.665 5.327 -19.833 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.777 7.824 -21.527 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.373 6.924 -20.988 1.00 0.00 H new ATOM 836 N PHE A 60 8.762 9.159 -17.063 1.00 0.00 N ATOM 837 CA PHE A 60 9.622 10.278 -16.694 1.00 0.00 C ATOM 838 C PHE A 60 10.850 9.793 -15.931 1.00 0.00 C ATOM 839 O PHE A 60 10.740 9.284 -14.816 1.00 0.00 O ATOM 840 CB PHE A 60 8.845 11.286 -15.844 1.00 0.00 C ATOM 841 CG PHE A 60 8.723 10.885 -14.402 1.00 0.00 C ATOM 842 CD1 PHE A 60 9.686 11.262 -13.480 1.00 0.00 C ATOM 843 CD2 PHE A 60 7.643 10.132 -13.968 1.00 0.00 C ATOM 844 CE1 PHE A 60 9.576 10.895 -12.152 1.00 0.00 C ATOM 845 CE2 PHE A 60 7.527 9.762 -12.642 1.00 0.00 C ATOM 846 CZ PHE A 60 8.495 10.143 -11.733 1.00 0.00 C ATOM 0 H PHE A 60 8.573 8.504 -16.304 1.00 0.00 H new ATOM 0 HA PHE A 60 9.955 10.765 -17.610 1.00 0.00 H new ATOM 0 HB2 PHE A 60 9.339 12.256 -15.903 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.847 11.411 -16.264 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.533 11.850 -13.803 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.884 9.831 -14.675 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.333 11.195 -11.443 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.681 9.176 -12.316 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.407 9.854 -10.696 1.00 0.00 H new ATOM 856 N THR A 61 12.020 9.957 -16.541 1.00 0.00 N ATOM 857 CA THR A 61 13.269 9.538 -15.922 1.00 0.00 C ATOM 858 C THR A 61 13.817 10.626 -15.003 1.00 0.00 C ATOM 859 O THR A 61 13.536 11.809 -15.191 1.00 0.00 O ATOM 860 CB THR A 61 14.327 9.201 -16.986 1.00 0.00 C ATOM 861 OG1 THR A 61 14.288 10.170 -18.040 1.00 0.00 O ATOM 862 CG2 THR A 61 14.097 7.811 -17.560 1.00 0.00 C ATOM 0 H THR A 61 12.127 10.378 -17.464 1.00 0.00 H new ATOM 0 HA THR A 61 13.053 8.646 -15.334 1.00 0.00 H new ATOM 0 HB THR A 61 15.307 9.221 -16.509 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.966 9.949 -18.713 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.858 7.597 -18.310 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.157 7.073 -16.760 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.110 7.767 -18.021 1.00 0.00 H new ATOM 870 N TYR A 62 14.599 10.216 -14.009 1.00 0.00 N ATOM 871 CA TYR A 62 15.186 11.158 -13.062 1.00 0.00 C ATOM 872 C TYR A 62 16.343 10.514 -12.301 1.00 0.00 C ATOM 873 O TYR A 62 16.188 9.453 -11.694 1.00 0.00 O ATOM 874 CB TYR A 62 14.117 11.664 -12.086 1.00 0.00 C ATOM 875 CG TYR A 62 14.652 12.030 -10.719 1.00 0.00 C ATOM 876 CD1 TYR A 62 15.418 13.173 -10.536 1.00 0.00 C ATOM 877 CD2 TYR A 62 14.389 11.231 -9.614 1.00 0.00 C ATOM 878 CE1 TYR A 62 15.905 13.512 -9.291 1.00 0.00 C ATOM 879 CE2 TYR A 62 14.874 11.563 -8.363 1.00 0.00 C ATOM 880 CZ TYR A 62 15.631 12.705 -8.207 1.00 0.00 C ATOM 881 OH TYR A 62 16.115 13.041 -6.963 1.00 0.00 O ATOM 0 H TYR A 62 14.841 9.240 -13.839 1.00 0.00 H new ATOM 0 HA TYR A 62 15.580 12.007 -13.621 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.629 12.537 -12.519 1.00 0.00 H new ATOM 0 HB3 TYR A 62 13.352 10.896 -11.971 1.00 0.00 H new ATOM 0 HD1 TYR A 62 15.636 13.807 -11.382 1.00 0.00 H new ATOM 0 HD2 TYR A 62 13.796 10.336 -9.734 1.00 0.00 H new ATOM 0 HE1 TYR A 62 16.498 14.406 -9.166 1.00 0.00 H new ATOM 0 HE2 TYR A 62 14.661 10.932 -7.513 1.00 0.00 H new ATOM 0 HH TYR A 62 16.192 14.016 -6.894 1.00 0.00 H new ATOM 891 N ASN A 63 17.503 11.164 -12.343 1.00 0.00 N ATOM 892 CA ASN A 63 18.697 10.669 -11.660 1.00 0.00 C ATOM 893 C ASN A 63 19.343 9.506 -12.418 1.00 0.00 C ATOM 894 O ASN A 63 20.462 9.100 -12.105 1.00 0.00 O ATOM 895 CB ASN A 63 18.354 10.250 -10.222 1.00 0.00 C ATOM 896 CG ASN A 63 18.053 8.768 -10.085 1.00 0.00 C ATOM 897 OD1 ASN A 63 18.880 7.922 -10.424 1.00 0.00 O ATOM 898 ND2 ASN A 63 16.866 8.449 -9.584 1.00 0.00 N ATOM 0 H ASN A 63 17.643 12.040 -12.846 1.00 0.00 H new ATOM 0 HA ASN A 63 19.422 11.482 -11.629 1.00 0.00 H new ATOM 0 HB2 ASN A 63 19.187 10.507 -9.567 1.00 0.00 H new ATOM 0 HB3 ASN A 63 17.492 10.822 -9.880 1.00 0.00 H new ATOM 0 HD21 ASN A 63 16.609 7.469 -9.467 1.00 0.00 H new ATOM 0 HD22 ASN A 63 16.211 9.184 -9.316 1.00 0.00 H new ATOM 905 N GLY A 64 18.634 8.969 -13.406 1.00 0.00 N ATOM 906 CA GLY A 64 19.160 7.860 -14.174 1.00 0.00 C ATOM 907 C GLY A 64 18.186 6.702 -14.232 1.00 0.00 C ATOM 908 O GLY A 64 18.445 5.694 -14.889 1.00 0.00 O ATOM 0 H GLY A 64 17.705 9.283 -13.687 1.00 0.00 H new ATOM 0 HA2 GLY A 64 19.387 8.195 -15.186 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.098 7.524 -13.731 1.00 0.00 H new ATOM 912 N ARG A 65 17.060 6.848 -13.539 1.00 0.00 N ATOM 913 CA ARG A 65 16.041 5.809 -13.511 1.00 0.00 C ATOM 914 C ARG A 65 14.777 6.281 -14.228 1.00 0.00 C ATOM 915 O ARG A 65 14.421 7.457 -14.169 1.00 0.00 O ATOM 916 CB ARG A 65 15.743 5.410 -12.054 1.00 0.00 C ATOM 917 CG ARG A 65 14.284 5.541 -11.640 1.00 0.00 C ATOM 918 CD ARG A 65 13.469 4.333 -12.072 1.00 0.00 C ATOM 919 NE ARG A 65 14.208 3.085 -11.907 1.00 0.00 N ATOM 920 CZ ARG A 65 13.984 1.994 -12.632 1.00 0.00 C ATOM 921 NH1 ARG A 65 13.043 1.999 -13.567 1.00 0.00 N ATOM 922 NH2 ARG A 65 14.699 0.898 -12.424 1.00 0.00 N ATOM 0 H ARG A 65 16.832 7.677 -12.990 1.00 0.00 H new ATOM 0 HA ARG A 65 16.410 4.929 -14.038 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.057 4.377 -11.904 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.350 6.027 -11.392 1.00 0.00 H new ATOM 0 HG2 ARG A 65 14.221 5.655 -10.558 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.860 6.443 -12.081 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.549 4.289 -11.489 1.00 0.00 H new ATOM 0 HD3 ARG A 65 13.179 4.447 -13.116 1.00 0.00 H new ATOM 0 HE ARG A 65 14.937 3.048 -11.195 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.491 2.841 -13.730 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.872 1.161 -14.123 1.00 0.00 H new ATOM 0 HH21 ARG A 65 15.423 0.890 -11.706 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.525 0.062 -12.982 1.00 0.00 H new ATOM 936 N THR A 66 14.102 5.357 -14.902 1.00 0.00 N ATOM 937 CA THR A 66 12.880 5.684 -15.625 1.00 0.00 C ATOM 938 C THR A 66 11.646 5.398 -14.774 1.00 0.00 C ATOM 939 O THR A 66 11.226 4.249 -14.637 1.00 0.00 O ATOM 940 CB THR A 66 12.774 4.893 -16.942 1.00 0.00 C ATOM 941 OG1 THR A 66 14.039 4.893 -17.617 1.00 0.00 O ATOM 942 CG2 THR A 66 11.710 5.492 -17.850 1.00 0.00 C ATOM 0 H THR A 66 14.380 4.377 -14.963 1.00 0.00 H new ATOM 0 HA THR A 66 12.925 6.749 -15.854 1.00 0.00 H new ATOM 0 HB THR A 66 12.490 3.868 -16.702 1.00 0.00 H new ATOM 0 HG1 THR A 66 13.964 4.387 -18.453 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.654 4.916 -18.774 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.744 5.464 -17.346 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.969 6.525 -18.082 1.00 0.00 H new ATOM 950 N PHE A 67 11.074 6.451 -14.203 1.00 0.00 N ATOM 951 CA PHE A 67 9.890 6.316 -13.362 1.00 0.00 C ATOM 952 C PHE A 67 8.617 6.334 -14.203 1.00 0.00 C ATOM 953 O PHE A 67 8.532 7.045 -15.203 1.00 0.00 O ATOM 954 CB PHE A 67 9.846 7.440 -12.325 1.00 0.00 C ATOM 955 CG PHE A 67 11.155 7.656 -11.620 1.00 0.00 C ATOM 956 CD1 PHE A 67 12.158 8.408 -12.209 1.00 0.00 C ATOM 957 CD2 PHE A 67 11.382 7.106 -10.369 1.00 0.00 C ATOM 958 CE1 PHE A 67 13.363 8.609 -11.564 1.00 0.00 C ATOM 959 CE2 PHE A 67 12.586 7.302 -9.719 1.00 0.00 C ATOM 960 CZ PHE A 67 13.578 8.055 -10.318 1.00 0.00 C ATOM 0 H PHE A 67 11.411 7.408 -14.307 1.00 0.00 H new ATOM 0 HA PHE A 67 9.949 5.357 -12.848 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.550 8.366 -12.817 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.078 7.212 -11.586 1.00 0.00 H new ATOM 0 HD1 PHE A 67 11.996 8.843 -13.184 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.610 6.517 -9.896 1.00 0.00 H new ATOM 0 HE1 PHE A 67 14.136 9.199 -12.034 1.00 0.00 H new ATOM 0 HE2 PHE A 67 12.751 6.867 -8.744 1.00 0.00 H new ATOM 0 HZ PHE A 67 14.520 8.210 -9.812 1.00 0.00 H new ATOM 970 N TYR A 68 7.630 5.546 -13.787 1.00 0.00 N ATOM 971 CA TYR A 68 6.361 5.472 -14.501 1.00 0.00 C ATOM 972 C TYR A 68 5.196 5.801 -13.572 1.00 0.00 C ATOM 973 O TYR A 68 4.100 5.261 -13.719 1.00 0.00 O ATOM 974 CB TYR A 68 6.170 4.078 -15.102 1.00 0.00 C ATOM 975 CG TYR A 68 7.047 3.811 -16.304 1.00 0.00 C ATOM 976 CD1 TYR A 68 8.431 3.779 -16.186 1.00 0.00 C ATOM 977 CD2 TYR A 68 6.491 3.591 -17.558 1.00 0.00 C ATOM 978 CE1 TYR A 68 9.236 3.537 -17.283 1.00 0.00 C ATOM 979 CE2 TYR A 68 7.289 3.348 -18.660 1.00 0.00 C ATOM 980 CZ TYR A 68 8.660 3.321 -18.517 1.00 0.00 C ATOM 981 OH TYR A 68 9.457 3.078 -19.612 1.00 0.00 O ATOM 0 H TYR A 68 7.685 4.951 -12.960 1.00 0.00 H new ATOM 0 HA TYR A 68 6.381 6.207 -15.306 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.379 3.330 -14.337 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.126 3.956 -15.390 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.885 3.946 -15.221 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.417 3.610 -17.674 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.310 3.517 -17.174 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.841 3.180 -19.628 1.00 0.00 H new ATOM 0 HH TYR A 68 8.894 2.946 -20.403 1.00 0.00 H new ATOM 991 N SER A 69 5.443 6.691 -12.616 1.00 0.00 N ATOM 992 CA SER A 69 4.415 7.093 -11.663 1.00 0.00 C ATOM 993 C SER A 69 5.032 7.832 -10.480 1.00 0.00 C ATOM 994 O SER A 69 6.205 8.204 -10.511 1.00 0.00 O ATOM 995 CB SER A 69 3.642 5.870 -11.167 1.00 0.00 C ATOM 996 OG SER A 69 2.273 5.951 -11.527 1.00 0.00 O ATOM 0 H SER A 69 6.345 7.147 -12.481 1.00 0.00 H new ATOM 0 HA SER A 69 3.726 7.767 -12.172 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.079 4.964 -11.588 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.732 5.794 -10.083 1.00 0.00 H new ATOM 0 HG SER A 69 2.170 5.725 -12.475 1.00 0.00 H new ATOM 1002 N CYS A 70 4.234 8.042 -9.437 1.00 0.00 N ATOM 1003 CA CYS A 70 4.703 8.736 -8.245 1.00 0.00 C ATOM 1004 C CYS A 70 5.863 7.986 -7.600 1.00 0.00 C ATOM 1005 O CYS A 70 5.899 6.755 -7.608 1.00 0.00 O ATOM 1006 CB CYS A 70 3.561 8.895 -7.240 1.00 0.00 C ATOM 1007 SG CYS A 70 2.175 9.912 -7.844 1.00 0.00 S ATOM 0 H CYS A 70 3.260 7.741 -9.394 1.00 0.00 H new ATOM 0 HA CYS A 70 5.054 9.723 -8.544 1.00 0.00 H new ATOM 0 HB2 CYS A 70 3.184 7.907 -6.975 1.00 0.00 H new ATOM 0 HB3 CYS A 70 3.954 9.342 -6.327 1.00 0.00 H new ATOM 1012 N THR A 71 6.811 8.734 -7.044 1.00 0.00 N ATOM 1013 CA THR A 71 7.972 8.137 -6.398 1.00 0.00 C ATOM 1014 C THR A 71 8.568 9.076 -5.356 1.00 0.00 C ATOM 1015 O THR A 71 8.692 10.278 -5.590 1.00 0.00 O ATOM 1016 CB THR A 71 9.064 7.775 -7.424 1.00 0.00 C ATOM 1017 OG1 THR A 71 9.958 6.804 -6.867 1.00 0.00 O ATOM 1018 CG2 THR A 71 9.849 9.012 -7.844 1.00 0.00 C ATOM 0 H THR A 71 6.797 9.754 -7.028 1.00 0.00 H new ATOM 0 HA THR A 71 7.624 7.227 -5.909 1.00 0.00 H new ATOM 0 HB THR A 71 8.577 7.358 -8.305 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.648 6.578 -7.526 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.613 8.729 -8.568 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.172 9.737 -8.295 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.324 9.456 -6.969 1.00 0.00 H new ATOM 1026 N THR A 72 8.946 8.520 -4.211 1.00 0.00 N ATOM 1027 CA THR A 72 9.540 9.312 -3.142 1.00 0.00 C ATOM 1028 C THR A 72 11.057 9.397 -3.302 1.00 0.00 C ATOM 1029 O THR A 72 11.788 9.548 -2.322 1.00 0.00 O ATOM 1030 CB THR A 72 9.220 8.733 -1.751 1.00 0.00 C ATOM 1031 OG1 THR A 72 9.061 7.311 -1.836 1.00 0.00 O ATOM 1032 CG2 THR A 72 7.956 9.356 -1.173 1.00 0.00 C ATOM 0 H THR A 72 8.852 7.527 -4.000 1.00 0.00 H new ATOM 0 HA THR A 72 9.105 10.308 -3.217 1.00 0.00 H new ATOM 0 HB THR A 72 10.053 8.968 -1.089 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.860 6.951 -0.947 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.756 8.928 -0.191 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.092 10.433 -1.078 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.115 9.153 -1.836 1.00 0.00 H new ATOM 1040 N GLU A 73 11.526 9.299 -4.542 1.00 0.00 N ATOM 1041 CA GLU A 73 12.954 9.368 -4.828 1.00 0.00 C ATOM 1042 C GLU A 73 13.426 10.818 -4.860 1.00 0.00 C ATOM 1043 O GLU A 73 12.850 11.651 -5.559 1.00 0.00 O ATOM 1044 CB GLU A 73 13.262 8.689 -6.163 1.00 0.00 C ATOM 1045 CG GLU A 73 14.218 7.514 -6.044 1.00 0.00 C ATOM 1046 CD GLU A 73 15.303 7.748 -5.011 1.00 0.00 C ATOM 1047 OE1 GLU A 73 15.512 8.917 -4.623 1.00 0.00 O ATOM 1048 OE2 GLU A 73 15.943 6.762 -4.589 1.00 0.00 O ATOM 0 H GLU A 73 10.937 9.171 -5.365 1.00 0.00 H new ATOM 0 HA GLU A 73 13.487 8.845 -4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.329 8.343 -6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.688 9.425 -6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.656 6.618 -5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.679 7.326 -7.014 1.00 0.00 H new ATOM 1055 N GLY A 74 14.471 11.116 -4.096 1.00 0.00 N ATOM 1056 CA GLY A 74 14.987 12.472 -4.052 1.00 0.00 C ATOM 1057 C GLY A 74 13.996 13.438 -3.437 1.00 0.00 C ATOM 1058 O GLY A 74 14.194 14.652 -3.471 1.00 0.00 O ATOM 0 H GLY A 74 14.968 10.447 -3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 74 15.913 12.489 -3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 74 15.233 12.799 -5.062 1.00 0.00 H new ATOM 1062 N ARG A 75 12.921 12.893 -2.874 1.00 0.00 N ATOM 1063 CA ARG A 75 11.882 13.701 -2.248 1.00 0.00 C ATOM 1064 C ARG A 75 12.343 14.245 -0.902 1.00 0.00 C ATOM 1065 O ARG A 75 13.276 13.719 -0.295 1.00 0.00 O ATOM 1066 CB ARG A 75 10.623 12.860 -2.039 1.00 0.00 C ATOM 1067 CG ARG A 75 10.858 11.641 -1.157 1.00 0.00 C ATOM 1068 CD ARG A 75 10.402 11.891 0.268 1.00 0.00 C ATOM 1069 NE ARG A 75 11.363 11.407 1.260 1.00 0.00 N ATOM 1070 CZ ARG A 75 11.305 10.200 1.812 1.00 0.00 C ATOM 1071 NH1 ARG A 75 10.411 9.317 1.390 1.00 0.00 N ATOM 1072 NH2 ARG A 75 12.141 9.874 2.789 1.00 0.00 N ATOM 0 H ARG A 75 12.747 11.888 -2.839 1.00 0.00 H new ATOM 0 HA ARG A 75 11.667 14.539 -2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.848 13.482 -1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.247 12.533 -3.008 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.322 10.785 -1.567 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.918 11.386 -1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.243 12.960 0.413 1.00 0.00 H new ATOM 0 HD3 ARG A 75 9.441 11.402 0.429 1.00 0.00 H new ATOM 0 HE ARG A 75 12.119 12.031 1.543 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.765 9.564 0.640 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.369 8.391 1.816 1.00 0.00 H new ATOM 0 HH21 ARG A 75 12.830 10.551 3.118 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.095 8.947 3.212 1.00 0.00 H new ATOM 1086 N GLN A 76 11.666 15.287 -0.426 1.00 0.00 N ATOM 1087 CA GLN A 76 11.995 15.881 0.862 1.00 0.00 C ATOM 1088 C GLN A 76 11.694 14.884 1.973 1.00 0.00 C ATOM 1089 O GLN A 76 12.574 14.537 2.757 1.00 0.00 O ATOM 1090 CB GLN A 76 11.199 17.169 1.078 1.00 0.00 C ATOM 1091 CG GLN A 76 11.695 18.001 2.249 1.00 0.00 C ATOM 1092 CD GLN A 76 11.738 17.217 3.545 1.00 0.00 C ATOM 1093 OE1 GLN A 76 12.908 16.680 3.873 1.00 0.00 O flip ATOM 1094 NE2 GLN A 76 10.733 17.096 4.245 1.00 0.00 N flip ATOM 0 H GLN A 76 10.889 15.734 -0.913 1.00 0.00 H new ATOM 0 HA GLN A 76 13.056 16.129 0.878 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.244 17.771 0.170 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.151 16.916 1.241 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.692 18.379 2.024 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.046 18.868 2.375 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.855 17.525 3.955 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.779 16.566 5.116 1.00 0.00 H new ATOM 1103 N ASP A 77 10.443 14.420 2.004 1.00 0.00 N ATOM 1104 CA ASP A 77 9.976 13.437 2.983 1.00 0.00 C ATOM 1105 C ASP A 77 8.498 13.640 3.283 1.00 0.00 C ATOM 1106 O ASP A 77 8.127 14.148 4.342 1.00 0.00 O ATOM 1107 CB ASP A 77 10.798 13.474 4.273 1.00 0.00 C ATOM 1108 CG ASP A 77 11.823 12.351 4.320 1.00 0.00 C ATOM 1109 OD1 ASP A 77 12.899 12.495 3.703 1.00 0.00 O ATOM 1110 OD2 ASP A 77 11.545 11.318 4.963 1.00 0.00 O ATOM 0 H ASP A 77 9.722 14.717 1.347 1.00 0.00 H new ATOM 0 HA ASP A 77 10.113 12.450 2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.307 14.435 4.353 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.131 13.394 5.132 1.00 0.00 H new ATOM 1115 N GLY A 78 7.661 13.235 2.332 1.00 0.00 N ATOM 1116 CA GLY A 78 6.227 13.370 2.492 1.00 0.00 C ATOM 1117 C GLY A 78 5.451 12.492 1.532 1.00 0.00 C ATOM 1118 O GLY A 78 5.399 11.273 1.696 1.00 0.00 O ATOM 0 H GLY A 78 7.954 12.814 1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.953 13.114 3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.944 14.411 2.337 1.00 0.00 H new ATOM 1122 N HIS A 79 4.849 13.114 0.524 1.00 0.00 N ATOM 1123 CA HIS A 79 4.073 12.386 -0.471 1.00 0.00 C ATOM 1124 C HIS A 79 4.865 12.230 -1.765 1.00 0.00 C ATOM 1125 O HIS A 79 5.486 13.179 -2.243 1.00 0.00 O ATOM 1126 CB HIS A 79 2.755 13.109 -0.752 1.00 0.00 C ATOM 1127 CG HIS A 79 2.370 14.086 0.316 1.00 0.00 C ATOM 1128 ND1 HIS A 79 1.630 13.737 1.425 1.00 0.00 N ATOM 1129 CD2 HIS A 79 2.628 15.410 0.440 1.00 0.00 C ATOM 1130 CE1 HIS A 79 1.448 14.803 2.185 1.00 0.00 C ATOM 1131 NE2 HIS A 79 2.044 15.829 1.610 1.00 0.00 N ATOM 0 H HIS A 79 4.884 14.122 0.375 1.00 0.00 H new ATOM 0 HA HIS A 79 3.856 11.395 -0.073 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.834 13.635 -1.703 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.961 12.371 -0.861 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.188 16.022 -0.252 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.904 14.829 3.118 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.067 16.781 1.976 1.00 0.00 H new ATOM 1140 N LEU A 80 4.845 11.025 -2.324 1.00 0.00 N ATOM 1141 CA LEU A 80 5.565 10.744 -3.559 1.00 0.00 C ATOM 1142 C LEU A 80 5.284 11.810 -4.610 1.00 0.00 C ATOM 1143 O LEU A 80 4.164 12.308 -4.725 1.00 0.00 O ATOM 1144 CB LEU A 80 5.191 9.361 -4.090 1.00 0.00 C ATOM 1145 CG LEU A 80 5.418 8.217 -3.101 1.00 0.00 C ATOM 1146 CD1 LEU A 80 4.135 7.887 -2.357 1.00 0.00 C ATOM 1147 CD2 LEU A 80 5.959 6.990 -3.814 1.00 0.00 C ATOM 0 H LEU A 80 4.338 10.227 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 80 6.633 10.758 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.140 9.370 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.770 9.164 -4.992 1.00 0.00 H new ATOM 0 HG LEU A 80 6.160 8.540 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.319 7.071 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.797 8.765 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.367 7.588 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.113 6.188 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.245 6.665 -4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.907 7.235 -4.292 1.00 0.00 H new ATOM 1159 N TRP A 81 6.315 12.158 -5.372 1.00 0.00 N ATOM 1160 CA TRP A 81 6.194 13.170 -6.411 1.00 0.00 C ATOM 1161 C TRP A 81 6.161 12.529 -7.794 1.00 0.00 C ATOM 1162 O TRP A 81 6.556 11.376 -7.965 1.00 0.00 O ATOM 1163 CB TRP A 81 7.363 14.152 -6.319 1.00 0.00 C ATOM 1164 CG TRP A 81 8.702 13.482 -6.372 1.00 0.00 C ATOM 1165 CD1 TRP A 81 9.304 12.765 -5.375 1.00 0.00 C ATOM 1166 CD2 TRP A 81 9.606 13.465 -7.481 1.00 0.00 C ATOM 1167 NE1 TRP A 81 10.527 12.306 -5.799 1.00 0.00 N ATOM 1168 CE2 TRP A 81 10.735 12.722 -7.089 1.00 0.00 C ATOM 1169 CE3 TRP A 81 9.570 14.006 -8.770 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 11.817 12.506 -7.939 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 10.645 13.791 -9.613 1.00 0.00 C ATOM 1172 CH2 TRP A 81 11.754 13.047 -9.195 1.00 0.00 C ATOM 0 H TRP A 81 7.247 11.751 -5.288 1.00 0.00 H new ATOM 0 HA TRP A 81 5.258 13.707 -6.260 1.00 0.00 H new ATOM 0 HB2 TRP A 81 7.291 14.870 -7.136 1.00 0.00 H new ATOM 0 HB3 TRP A 81 7.283 14.716 -5.390 1.00 0.00 H new ATOM 0 HD1 TRP A 81 8.880 12.586 -4.398 1.00 0.00 H new ATOM 0 HE1 TRP A 81 11.175 11.747 -5.245 1.00 0.00 H new ATOM 0 HE3 TRP A 81 8.718 14.581 -9.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 12.674 11.933 -7.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 10.628 14.204 -10.611 1.00 0.00 H new ATOM 0 HH2 TRP A 81 12.577 12.896 -9.877 1.00 0.00 H new ATOM 1183 N CYS A 82 5.686 13.285 -8.780 1.00 0.00 N ATOM 1184 CA CYS A 82 5.601 12.791 -10.149 1.00 0.00 C ATOM 1185 C CYS A 82 5.900 13.903 -11.148 1.00 0.00 C ATOM 1186 O CYS A 82 5.532 15.058 -10.934 1.00 0.00 O ATOM 1187 CB CYS A 82 4.213 12.207 -10.418 1.00 0.00 C ATOM 1188 SG CYS A 82 2.910 13.461 -10.641 1.00 0.00 S ATOM 0 H CYS A 82 5.354 14.242 -8.656 1.00 0.00 H new ATOM 0 HA CYS A 82 6.347 12.006 -10.272 1.00 0.00 H new ATOM 0 HB2 CYS A 82 4.259 11.584 -11.311 1.00 0.00 H new ATOM 0 HB3 CYS A 82 3.938 11.556 -9.589 1.00 0.00 H new ATOM 1193 N SER A 83 6.570 13.548 -12.239 1.00 0.00 N ATOM 1194 CA SER A 83 6.918 14.517 -13.272 1.00 0.00 C ATOM 1195 C SER A 83 5.695 14.890 -14.104 1.00 0.00 C ATOM 1196 O SER A 83 5.083 14.036 -14.745 1.00 0.00 O ATOM 1197 CB SER A 83 8.014 13.955 -14.180 1.00 0.00 C ATOM 1198 OG SER A 83 9.231 13.795 -13.471 1.00 0.00 O ATOM 0 H SER A 83 6.883 12.596 -12.431 1.00 0.00 H new ATOM 0 HA SER A 83 7.288 15.416 -12.780 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.697 12.994 -14.586 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.168 14.624 -15.027 1.00 0.00 H new ATOM 0 HG SER A 83 9.667 14.667 -13.368 1.00 0.00 H new ATOM 1204 N THR A 84 5.346 16.173 -14.088 1.00 0.00 N ATOM 1205 CA THR A 84 4.196 16.660 -14.842 1.00 0.00 C ATOM 1206 C THR A 84 4.614 17.152 -16.224 1.00 0.00 C ATOM 1207 O THR A 84 4.159 18.199 -16.684 1.00 0.00 O ATOM 1208 CB THR A 84 3.481 17.802 -14.097 1.00 0.00 C ATOM 1209 OG1 THR A 84 4.398 18.874 -13.846 1.00 0.00 O ATOM 1210 CG2 THR A 84 2.898 17.308 -12.782 1.00 0.00 C ATOM 0 H THR A 84 5.842 16.893 -13.562 1.00 0.00 H new ATOM 0 HA THR A 84 3.509 15.821 -14.951 1.00 0.00 H new ATOM 0 HB THR A 84 2.666 18.162 -14.725 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.935 19.597 -13.373 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.398 18.132 -12.273 1.00 0.00 H new ATOM 0 HG22 THR A 84 2.179 16.513 -12.979 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.699 16.924 -12.150 1.00 0.00 H new ATOM 1218 N THR A 85 5.482 16.390 -16.880 1.00 0.00 N ATOM 1219 CA THR A 85 5.961 16.748 -18.210 1.00 0.00 C ATOM 1220 C THR A 85 6.869 15.662 -18.778 1.00 0.00 C ATOM 1221 O THR A 85 7.813 15.222 -18.121 1.00 0.00 O ATOM 1222 CB THR A 85 6.730 18.083 -18.190 1.00 0.00 C ATOM 1223 OG1 THR A 85 7.430 18.228 -16.949 1.00 0.00 O ATOM 1224 CG2 THR A 85 5.780 19.256 -18.380 1.00 0.00 C ATOM 0 H THR A 85 5.868 15.520 -16.513 1.00 0.00 H new ATOM 0 HA THR A 85 5.081 16.853 -18.845 1.00 0.00 H new ATOM 0 HB THR A 85 7.446 18.076 -19.012 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.391 18.306 -17.123 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.345 20.188 -18.362 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.269 19.159 -19.338 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.044 19.262 -17.576 1.00 0.00 H new ATOM 1232 N SER A 86 6.576 15.235 -20.002 1.00 0.00 N ATOM 1233 CA SER A 86 7.366 14.199 -20.658 1.00 0.00 C ATOM 1234 C SER A 86 8.844 14.340 -20.308 1.00 0.00 C ATOM 1235 O SER A 86 9.508 13.359 -19.973 1.00 0.00 O ATOM 1236 CB SER A 86 7.179 14.272 -22.175 1.00 0.00 C ATOM 1237 OG SER A 86 8.210 15.033 -22.781 1.00 0.00 O ATOM 0 H SER A 86 5.799 15.590 -20.559 1.00 0.00 H new ATOM 0 HA SER A 86 7.018 13.229 -20.302 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.173 13.265 -22.592 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.211 14.718 -22.404 1.00 0.00 H new ATOM 0 HG SER A 86 8.169 15.957 -22.456 1.00 0.00 H new ATOM 1243 N ASN A 87 9.352 15.566 -20.389 1.00 0.00 N ATOM 1244 CA ASN A 87 10.751 15.834 -20.080 1.00 0.00 C ATOM 1245 C ASN A 87 10.894 16.431 -18.685 1.00 0.00 C ATOM 1246 O ASN A 87 10.936 17.652 -18.522 1.00 0.00 O ATOM 1247 CB ASN A 87 11.351 16.784 -21.119 1.00 0.00 C ATOM 1248 CG ASN A 87 10.614 16.735 -22.442 1.00 0.00 C ATOM 1249 OD1 ASN A 87 9.416 17.018 -22.510 1.00 0.00 O ATOM 1250 ND2 ASN A 87 11.325 16.375 -23.504 1.00 0.00 N ATOM 0 H ASN A 87 8.816 16.388 -20.666 1.00 0.00 H new ATOM 0 HA ASN A 87 11.292 14.888 -20.108 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.329 17.803 -20.731 1.00 0.00 H new ATOM 0 HB3 ASN A 87 12.398 16.527 -21.280 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.882 16.324 -24.421 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.315 16.149 -23.403 1.00 0.00 H new ATOM 1257 N TYR A 88 10.970 15.565 -17.681 1.00 0.00 N ATOM 1258 CA TYR A 88 11.108 16.007 -16.297 1.00 0.00 C ATOM 1259 C TYR A 88 12.422 16.754 -16.092 1.00 0.00 C ATOM 1260 O TYR A 88 12.435 17.885 -15.608 1.00 0.00 O ATOM 1261 CB TYR A 88 11.036 14.810 -15.348 1.00 0.00 C ATOM 1262 CG TYR A 88 11.467 15.131 -13.934 1.00 0.00 C ATOM 1263 CD1 TYR A 88 10.665 15.900 -13.100 1.00 0.00 C ATOM 1264 CD2 TYR A 88 12.677 14.666 -13.435 1.00 0.00 C ATOM 1265 CE1 TYR A 88 11.056 16.196 -11.808 1.00 0.00 C ATOM 1266 CE2 TYR A 88 13.075 14.957 -12.143 1.00 0.00 C ATOM 1267 CZ TYR A 88 12.261 15.722 -11.334 1.00 0.00 C ATOM 1268 OH TYR A 88 12.653 16.013 -10.048 1.00 0.00 O ATOM 0 H TYR A 88 10.938 14.552 -17.799 1.00 0.00 H new ATOM 0 HA TYR A 88 10.286 16.688 -16.076 1.00 0.00 H new ATOM 0 HB2 TYR A 88 10.014 14.432 -15.330 1.00 0.00 H new ATOM 0 HB3 TYR A 88 11.665 14.010 -15.738 1.00 0.00 H new ATOM 0 HD1 TYR A 88 9.720 16.273 -13.467 1.00 0.00 H new ATOM 0 HD2 TYR A 88 13.317 14.068 -14.066 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.421 16.796 -11.173 1.00 0.00 H new ATOM 0 HE2 TYR A 88 14.018 14.587 -11.769 1.00 0.00 H new ATOM 0 HH TYR A 88 12.342 15.307 -9.444 1.00 0.00 H new ATOM 1278 N GLU A 89 13.525 16.113 -16.462 1.00 0.00 N ATOM 1279 CA GLU A 89 14.843 16.718 -16.317 1.00 0.00 C ATOM 1280 C GLU A 89 14.941 18.011 -17.120 1.00 0.00 C ATOM 1281 O GLU A 89 15.864 18.803 -16.931 1.00 0.00 O ATOM 1282 CB GLU A 89 15.928 15.738 -16.768 1.00 0.00 C ATOM 1283 CG GLU A 89 15.574 14.282 -16.524 1.00 0.00 C ATOM 1284 CD GLU A 89 16.765 13.357 -16.679 1.00 0.00 C ATOM 1285 OE1 GLU A 89 17.643 13.365 -15.791 1.00 0.00 O ATOM 1286 OE2 GLU A 89 16.822 12.626 -17.690 1.00 0.00 O ATOM 0 H GLU A 89 13.532 15.176 -16.864 1.00 0.00 H new ATOM 0 HA GLU A 89 14.993 16.956 -15.264 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.117 15.883 -17.832 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.855 15.970 -16.244 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.164 14.175 -15.520 1.00 0.00 H new ATOM 0 HG3 GLU A 89 14.792 13.981 -17.221 1.00 0.00 H new ATOM 1293 N GLN A 90 13.983 18.217 -18.019 1.00 0.00 N ATOM 1294 CA GLN A 90 13.962 19.413 -18.852 1.00 0.00 C ATOM 1295 C GLN A 90 13.204 20.544 -18.163 1.00 0.00 C ATOM 1296 O GLN A 90 13.794 21.548 -17.765 1.00 0.00 O ATOM 1297 CB GLN A 90 13.320 19.105 -20.207 1.00 0.00 C ATOM 1298 CG GLN A 90 13.930 19.885 -21.360 1.00 0.00 C ATOM 1299 CD GLN A 90 14.421 21.257 -20.941 1.00 0.00 C ATOM 1300 OE1 GLN A 90 15.611 21.454 -20.694 1.00 0.00 O ATOM 1301 NE2 GLN A 90 13.506 22.214 -20.860 1.00 0.00 N ATOM 0 H GLN A 90 13.212 17.571 -18.189 1.00 0.00 H new ATOM 0 HA GLN A 90 14.992 19.733 -19.009 1.00 0.00 H new ATOM 0 HB2 GLN A 90 13.415 18.038 -20.410 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.254 19.326 -20.153 1.00 0.00 H new ATOM 0 HG2 GLN A 90 14.762 19.318 -21.778 1.00 0.00 H new ATOM 0 HG3 GLN A 90 13.189 19.995 -22.152 1.00 0.00 H new ATOM 0 HE21 GLN A 90 12.531 22.006 -21.074 1.00 0.00 H new ATOM 0 HE22 GLN A 90 13.778 23.158 -20.584 1.00 0.00 H new ATOM 1310 N ASP A 91 11.894 20.373 -18.024 1.00 0.00 N ATOM 1311 CA ASP A 91 11.055 21.380 -17.383 1.00 0.00 C ATOM 1312 C ASP A 91 11.119 21.253 -15.864 1.00 0.00 C ATOM 1313 O ASP A 91 10.997 22.243 -15.143 1.00 0.00 O ATOM 1314 CB ASP A 91 9.607 21.244 -17.856 1.00 0.00 C ATOM 1315 CG ASP A 91 9.484 21.310 -19.366 1.00 0.00 C ATOM 1316 OD1 ASP A 91 10.486 21.649 -20.030 1.00 0.00 O ATOM 1317 OD2 ASP A 91 8.384 21.022 -19.885 1.00 0.00 O ATOM 0 H ASP A 91 11.390 19.547 -18.346 1.00 0.00 H new ATOM 0 HA ASP A 91 11.431 22.363 -17.665 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.199 20.297 -17.502 1.00 0.00 H new ATOM 0 HB3 ASP A 91 9.006 22.036 -17.410 1.00 0.00 H new ATOM 1322 N GLN A 92 11.314 20.029 -15.386 1.00 0.00 N ATOM 1323 CA GLN A 92 11.394 19.770 -13.953 1.00 0.00 C ATOM 1324 C GLN A 92 10.019 19.865 -13.303 1.00 0.00 C ATOM 1325 O GLN A 92 9.899 19.884 -12.077 1.00 0.00 O ATOM 1326 CB GLN A 92 12.354 20.759 -13.289 1.00 0.00 C ATOM 1327 CG GLN A 92 13.558 21.111 -14.148 1.00 0.00 C ATOM 1328 CD GLN A 92 14.804 20.345 -13.748 1.00 0.00 C ATOM 1329 OE1 GLN A 92 15.869 20.929 -13.550 1.00 0.00 O ATOM 1330 NE2 GLN A 92 14.676 19.029 -13.630 1.00 0.00 N ATOM 0 H GLN A 92 11.420 19.200 -15.970 1.00 0.00 H new ATOM 0 HA GLN A 92 11.771 18.757 -13.814 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.811 21.673 -13.048 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.702 20.337 -12.346 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.328 20.902 -15.193 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.754 22.181 -14.072 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.773 18.587 -13.804 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.480 18.460 -13.366 1.00 0.00 H new ATOM 1339 N LYS A 93 8.979 19.921 -14.131 1.00 0.00 N ATOM 1340 CA LYS A 93 7.612 20.011 -13.634 1.00 0.00 C ATOM 1341 C LYS A 93 7.233 18.751 -12.863 1.00 0.00 C ATOM 1342 O LYS A 93 7.200 17.655 -13.424 1.00 0.00 O ATOM 1343 CB LYS A 93 6.638 20.226 -14.794 1.00 0.00 C ATOM 1344 CG LYS A 93 7.053 21.343 -15.738 1.00 0.00 C ATOM 1345 CD LYS A 93 7.067 22.690 -15.034 1.00 0.00 C ATOM 1346 CE LYS A 93 6.355 23.754 -15.854 1.00 0.00 C ATOM 1347 NZ LYS A 93 5.545 24.664 -14.999 1.00 0.00 N ATOM 0 H LYS A 93 9.058 19.906 -15.148 1.00 0.00 H new ATOM 0 HA LYS A 93 7.552 20.863 -12.957 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.549 19.298 -15.359 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.650 20.450 -14.391 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.043 21.131 -16.141 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.366 21.380 -16.584 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.587 22.598 -14.060 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.097 22.997 -14.854 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.090 24.336 -16.410 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.708 23.274 -16.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.076 25.375 -15.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.827 24.112 -14.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.166 25.142 -14.315 1.00 0.00 H new ATOM 1361 N TYR A 94 6.952 18.913 -11.574 1.00 0.00 N ATOM 1362 CA TYR A 94 6.579 17.788 -10.727 1.00 0.00 C ATOM 1363 C TYR A 94 5.360 18.125 -9.876 1.00 0.00 C ATOM 1364 O TYR A 94 4.829 19.234 -9.946 1.00 0.00 O ATOM 1365 CB TYR A 94 7.753 17.393 -9.827 1.00 0.00 C ATOM 1366 CG TYR A 94 8.157 18.474 -8.851 1.00 0.00 C ATOM 1367 CD1 TYR A 94 7.293 18.887 -7.844 1.00 0.00 C ATOM 1368 CD2 TYR A 94 9.403 19.083 -8.938 1.00 0.00 C ATOM 1369 CE1 TYR A 94 7.660 19.876 -6.951 1.00 0.00 C ATOM 1370 CE2 TYR A 94 9.776 20.073 -8.048 1.00 0.00 C ATOM 1371 CZ TYR A 94 8.902 20.466 -7.057 1.00 0.00 C ATOM 1372 OH TYR A 94 9.270 21.450 -6.170 1.00 0.00 O ATOM 0 H TYR A 94 6.976 19.813 -11.094 1.00 0.00 H new ATOM 0 HA TYR A 94 6.324 16.947 -11.372 1.00 0.00 H new ATOM 0 HB2 TYR A 94 7.487 16.494 -9.271 1.00 0.00 H new ATOM 0 HB3 TYR A 94 8.610 17.140 -10.452 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.319 18.428 -7.758 1.00 0.00 H new ATOM 0 HD2 TYR A 94 10.091 18.778 -9.713 1.00 0.00 H new ATOM 0 HE1 TYR A 94 6.977 20.185 -6.174 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.748 20.537 -8.129 1.00 0.00 H new ATOM 0 HH TYR A 94 10.175 21.760 -6.382 1.00 0.00 H new ATOM 1382 N SER A 95 4.922 17.162 -9.071 1.00 0.00 N ATOM 1383 CA SER A 95 3.764 17.357 -8.205 1.00 0.00 C ATOM 1384 C SER A 95 3.713 16.286 -7.119 1.00 0.00 C ATOM 1385 O SER A 95 3.999 15.117 -7.373 1.00 0.00 O ATOM 1386 CB SER A 95 2.474 17.328 -9.027 1.00 0.00 C ATOM 1387 OG SER A 95 1.515 16.464 -8.444 1.00 0.00 O ATOM 0 H SER A 95 5.351 16.239 -9.000 1.00 0.00 H new ATOM 0 HA SER A 95 3.859 18.332 -7.727 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.063 18.335 -9.100 1.00 0.00 H new ATOM 0 HB3 SER A 95 2.694 16.999 -10.043 1.00 0.00 H new ATOM 0 HG SER A 95 1.070 16.923 -7.701 1.00 0.00 H new ATOM 1393 N PHE A 96 3.348 16.695 -5.909 1.00 0.00 N ATOM 1394 CA PHE A 96 3.261 15.770 -4.784 1.00 0.00 C ATOM 1395 C PHE A 96 1.929 15.029 -4.789 1.00 0.00 C ATOM 1396 O PHE A 96 0.864 15.644 -4.765 1.00 0.00 O ATOM 1397 CB PHE A 96 3.434 16.523 -3.464 1.00 0.00 C ATOM 1398 CG PHE A 96 4.270 17.763 -3.587 1.00 0.00 C ATOM 1399 CD1 PHE A 96 5.483 17.731 -4.255 1.00 0.00 C ATOM 1400 CD2 PHE A 96 3.843 18.960 -3.038 1.00 0.00 C ATOM 1401 CE1 PHE A 96 6.254 18.871 -4.374 1.00 0.00 C ATOM 1402 CE2 PHE A 96 4.610 20.103 -3.152 1.00 0.00 C ATOM 1403 CZ PHE A 96 5.817 20.058 -3.822 1.00 0.00 C ATOM 0 H PHE A 96 3.108 17.660 -5.682 1.00 0.00 H new ATOM 0 HA PHE A 96 4.062 15.038 -4.885 1.00 0.00 H new ATOM 0 HB2 PHE A 96 2.451 16.794 -3.078 1.00 0.00 H new ATOM 0 HB3 PHE A 96 3.891 15.857 -2.732 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.830 16.804 -4.688 1.00 0.00 H new ATOM 0 HD2 PHE A 96 2.899 19.001 -2.515 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.197 18.833 -4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.267 21.030 -2.718 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.418 20.951 -3.914 1.00 0.00 H new ATOM 1413 N CYS A 97 1.998 13.702 -4.817 1.00 0.00 N ATOM 1414 CA CYS A 97 0.799 12.875 -4.823 1.00 0.00 C ATOM 1415 C CYS A 97 0.329 12.590 -3.402 1.00 0.00 C ATOM 1416 O CYS A 97 0.817 13.188 -2.444 1.00 0.00 O ATOM 1417 CB CYS A 97 1.065 11.556 -5.550 1.00 0.00 C ATOM 1418 SG CYS A 97 2.369 11.653 -6.817 1.00 0.00 S ATOM 0 H CYS A 97 2.872 13.177 -4.836 1.00 0.00 H new ATOM 0 HA CYS A 97 0.016 13.423 -5.348 1.00 0.00 H new ATOM 0 HB2 CYS A 97 1.342 10.799 -4.816 1.00 0.00 H new ATOM 0 HB3 CYS A 97 0.141 11.220 -6.021 1.00 0.00 H new ATOM 1423 N THR A 98 -0.618 11.668 -3.277 1.00 0.00 N ATOM 1424 CA THR A 98 -1.152 11.296 -1.973 1.00 0.00 C ATOM 1425 C THR A 98 -0.560 9.975 -1.503 1.00 0.00 C ATOM 1426 O THR A 98 -0.555 8.988 -2.239 1.00 0.00 O ATOM 1427 CB THR A 98 -2.693 11.184 -1.992 1.00 0.00 C ATOM 1428 OG1 THR A 98 -3.098 9.843 -1.689 1.00 0.00 O ATOM 1429 CG2 THR A 98 -3.256 11.590 -3.345 1.00 0.00 C ATOM 0 H THR A 98 -1.031 11.165 -4.062 1.00 0.00 H new ATOM 0 HA THR A 98 -0.872 12.089 -1.280 1.00 0.00 H new ATOM 0 HB THR A 98 -3.085 11.862 -1.234 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.076 9.786 -1.703 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.342 11.501 -3.329 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.980 12.622 -3.559 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.850 10.938 -4.118 1.00 0.00 H new ATOM 1481 N VAL A 102 1.093 0.984 -4.095 1.00 0.00 N ATOM 1482 CA VAL A 102 0.697 -0.416 -4.177 1.00 0.00 C ATOM 1483 C VAL A 102 1.174 -1.195 -2.957 1.00 0.00 C ATOM 1484 O VAL A 102 2.369 -1.437 -2.791 1.00 0.00 O ATOM 1485 CB VAL A 102 1.251 -1.082 -5.451 1.00 0.00 C ATOM 1486 CG1 VAL A 102 0.252 -2.085 -6.005 1.00 0.00 C ATOM 1487 CG2 VAL A 102 1.601 -0.032 -6.494 1.00 0.00 C ATOM 0 HA VAL A 102 -0.392 -0.436 -4.211 1.00 0.00 H new ATOM 0 HB VAL A 102 2.163 -1.619 -5.192 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.660 -2.546 -6.905 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.058 -2.855 -5.259 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.679 -1.574 -6.249 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.991 -0.522 -7.387 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.707 0.536 -6.753 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.356 0.643 -6.091 1.00 0.00 H new ATOM 1497 N LEU A 103 0.231 -1.581 -2.104 1.00 0.00 N ATOM 1498 CA LEU A 103 0.552 -2.330 -0.895 1.00 0.00 C ATOM 1499 C LEU A 103 0.172 -3.800 -1.045 1.00 0.00 C ATOM 1500 O LEU A 103 -0.878 -4.127 -1.600 1.00 0.00 O ATOM 1501 CB LEU A 103 -0.171 -1.725 0.309 1.00 0.00 C ATOM 1502 CG LEU A 103 -0.554 -0.251 0.160 1.00 0.00 C ATOM 1503 CD1 LEU A 103 -2.067 -0.096 0.108 1.00 0.00 C ATOM 1504 CD2 LEU A 103 0.030 0.569 1.299 1.00 0.00 C ATOM 0 H LEU A 103 -0.763 -1.387 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 103 1.628 -2.268 -0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.076 -2.303 0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.465 -1.832 1.187 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.139 0.120 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.321 0.959 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.461 -0.652 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.504 -0.484 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.253 1.615 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.355 0.198 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.117 0.483 1.289 1.00 0.00 H new ATOM 1516 N VAL A 104 1.032 -4.683 -0.547 1.00 0.00 N ATOM 1517 CA VAL A 104 0.787 -6.117 -0.625 1.00 0.00 C ATOM 1518 C VAL A 104 0.285 -6.655 0.711 1.00 0.00 C ATOM 1519 O VAL A 104 0.825 -6.326 1.765 1.00 0.00 O ATOM 1520 CB VAL A 104 2.065 -6.879 -1.041 1.00 0.00 C ATOM 1521 CG1 VAL A 104 1.966 -8.359 -0.690 1.00 0.00 C ATOM 1522 CG2 VAL A 104 2.329 -6.699 -2.528 1.00 0.00 C ATOM 0 H VAL A 104 1.905 -4.429 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 104 0.021 -6.276 -1.384 1.00 0.00 H new ATOM 0 HB VAL A 104 2.903 -6.460 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.881 -8.867 -0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.831 -8.470 0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.115 -8.800 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.233 -7.242 -2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.484 -7.086 -3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.460 -5.640 -2.749 1.00 0.00 H new ATOM 1532 N GLN A 105 -0.748 -7.488 0.659 1.00 0.00 N ATOM 1533 CA GLN A 105 -1.319 -8.075 1.866 1.00 0.00 C ATOM 1534 C GLN A 105 -0.778 -9.484 2.088 1.00 0.00 C ATOM 1535 O GLN A 105 -1.480 -10.470 1.864 1.00 0.00 O ATOM 1536 CB GLN A 105 -2.845 -8.110 1.770 1.00 0.00 C ATOM 1537 CG GLN A 105 -3.448 -6.836 1.201 1.00 0.00 C ATOM 1538 CD GLN A 105 -4.348 -7.098 0.008 1.00 0.00 C ATOM 1539 OE1 GLN A 105 -5.572 -7.029 0.113 1.00 0.00 O ATOM 1540 NE2 GLN A 105 -3.743 -7.401 -1.134 1.00 0.00 N ATOM 0 H GLN A 105 -1.208 -7.772 -0.206 1.00 0.00 H new ATOM 0 HA GLN A 105 -1.032 -7.455 2.715 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.142 -8.953 1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.259 -8.286 2.763 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -4.020 -6.330 1.979 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.646 -6.160 0.905 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -2.725 -7.447 -1.175 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.296 -7.588 -1.970 1.00 0.00 H new ATOM 1549 N THR A 106 0.473 -9.570 2.526 1.00 0.00 N ATOM 1550 CA THR A 106 1.108 -10.858 2.773 1.00 0.00 C ATOM 1551 C THR A 106 0.608 -11.484 4.069 1.00 0.00 C ATOM 1552 O THR A 106 -0.002 -10.813 4.899 1.00 0.00 O ATOM 1553 CB THR A 106 2.640 -10.730 2.844 1.00 0.00 C ATOM 1554 OG1 THR A 106 3.002 -9.451 3.379 1.00 0.00 O ATOM 1555 CG2 THR A 106 3.263 -10.906 1.470 1.00 0.00 C ATOM 0 H THR A 106 1.067 -8.763 2.717 1.00 0.00 H new ATOM 0 HA THR A 106 0.841 -11.500 1.934 1.00 0.00 H new ATOM 0 HB THR A 106 3.017 -11.516 3.498 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.542 -9.311 4.233 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.346 -10.811 1.547 1.00 0.00 H new ATOM 0 HG22 THR A 106 3.012 -11.892 1.080 1.00 0.00 H new ATOM 0 HG23 THR A 106 2.879 -10.141 0.796 1.00 0.00 H new ATOM 1563 N ARG A 107 0.879 -12.775 4.234 1.00 0.00 N ATOM 1564 CA ARG A 107 0.464 -13.499 5.427 1.00 0.00 C ATOM 1565 C ARG A 107 1.338 -14.730 5.644 1.00 0.00 C ATOM 1566 O ARG A 107 1.609 -15.482 4.707 1.00 0.00 O ATOM 1567 CB ARG A 107 -1.004 -13.914 5.316 1.00 0.00 C ATOM 1568 CG ARG A 107 -1.213 -15.211 4.551 1.00 0.00 C ATOM 1569 CD ARG A 107 -1.304 -16.403 5.489 1.00 0.00 C ATOM 1570 NE ARG A 107 -1.497 -17.656 4.764 1.00 0.00 N ATOM 1571 CZ ARG A 107 -1.972 -18.764 5.324 1.00 0.00 C ATOM 1572 NH1 ARG A 107 -2.299 -18.772 6.609 1.00 0.00 N ATOM 1573 NH2 ARG A 107 -2.121 -19.865 4.600 1.00 0.00 N ATOM 0 H ARG A 107 1.386 -13.341 3.553 1.00 0.00 H new ATOM 0 HA ARG A 107 0.580 -12.835 6.284 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -1.419 -14.022 6.318 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.562 -13.117 4.824 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.126 -15.142 3.959 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -0.390 -15.359 3.852 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.394 -16.466 6.085 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.131 -16.255 6.184 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.254 -17.682 3.774 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.186 -17.927 7.169 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -2.663 -19.623 7.037 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -1.871 -19.863 3.611 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.486 -20.714 5.032 1.00 0.00 H new ATOM 1587 N GLY A 108 1.780 -14.930 6.880 1.00 0.00 N ATOM 1588 CA GLY A 108 2.620 -16.071 7.191 1.00 0.00 C ATOM 1589 C GLY A 108 2.907 -16.198 8.675 1.00 0.00 C ATOM 1590 O GLY A 108 2.064 -15.865 9.507 1.00 0.00 O ATOM 0 H GLY A 108 1.572 -14.322 7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.134 -16.981 6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.562 -15.983 6.649 1.00 0.00 H new ATOM 1594 N GLY A 109 4.101 -16.681 9.005 1.00 0.00 N ATOM 1595 CA GLY A 109 4.475 -16.844 10.397 1.00 0.00 C ATOM 1596 C GLY A 109 5.503 -15.823 10.847 1.00 0.00 C ATOM 1597 O GLY A 109 5.627 -15.542 12.039 1.00 0.00 O ATOM 0 H GLY A 109 4.815 -16.962 8.333 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.585 -16.758 11.021 1.00 0.00 H new ATOM 0 HA3 GLY A 109 4.874 -17.847 10.547 1.00 0.00 H new ATOM 1601 N ASN A 110 6.241 -15.268 9.891 1.00 0.00 N ATOM 1602 CA ASN A 110 7.263 -14.273 10.197 1.00 0.00 C ATOM 1603 C ASN A 110 6.717 -12.861 10.012 1.00 0.00 C ATOM 1604 O ASN A 110 7.283 -11.894 10.519 1.00 0.00 O ATOM 1605 CB ASN A 110 8.490 -14.480 9.307 1.00 0.00 C ATOM 1606 CG ASN A 110 9.510 -15.409 9.934 1.00 0.00 C ATOM 1607 OD1 ASN A 110 9.198 -16.547 10.284 1.00 0.00 O ATOM 1608 ND2 ASN A 110 10.739 -14.926 10.080 1.00 0.00 N ATOM 0 H ASN A 110 6.151 -15.490 8.899 1.00 0.00 H new ATOM 0 HA ASN A 110 7.556 -14.397 11.240 1.00 0.00 H new ATOM 0 HB2 ASN A 110 8.174 -14.887 8.347 1.00 0.00 H new ATOM 0 HB3 ASN A 110 8.956 -13.516 9.106 1.00 0.00 H new ATOM 0 HD21 ASN A 110 11.468 -15.505 10.497 1.00 0.00 H new ATOM 0 HD22 ASN A 110 10.953 -13.976 9.776 1.00 0.00 H new ATOM 1615 N SER A 111 5.613 -12.754 9.280 1.00 0.00 N ATOM 1616 CA SER A 111 4.986 -11.463 9.026 1.00 0.00 C ATOM 1617 C SER A 111 3.580 -11.418 9.611 1.00 0.00 C ATOM 1618 O SER A 111 3.050 -10.344 9.898 1.00 0.00 O ATOM 1619 CB SER A 111 4.935 -11.187 7.522 1.00 0.00 C ATOM 1620 OG SER A 111 3.980 -10.185 7.220 1.00 0.00 O ATOM 0 H SER A 111 5.134 -13.547 8.852 1.00 0.00 H new ATOM 0 HA SER A 111 5.586 -10.692 9.510 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.919 -10.873 7.173 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.685 -12.104 6.989 1.00 0.00 H new ATOM 0 HG SER A 111 3.615 -10.341 6.324 1.00 0.00 H new ATOM 1626 N ASN A 112 2.979 -12.591 9.785 1.00 0.00 N ATOM 1627 CA ASN A 112 1.633 -12.685 10.335 1.00 0.00 C ATOM 1628 C ASN A 112 0.706 -11.671 9.674 1.00 0.00 C ATOM 1629 O ASN A 112 0.472 -10.589 10.210 1.00 0.00 O ATOM 1630 CB ASN A 112 1.658 -12.463 11.848 1.00 0.00 C ATOM 1631 CG ASN A 112 2.795 -13.204 12.522 1.00 0.00 C ATOM 1632 OD1 ASN A 112 3.110 -14.340 12.166 1.00 0.00 O ATOM 1633 ND2 ASN A 112 3.420 -12.563 13.503 1.00 0.00 N ATOM 0 H ASN A 112 3.404 -13.489 9.553 1.00 0.00 H new ATOM 0 HA ASN A 112 1.253 -13.686 10.131 1.00 0.00 H new ATOM 0 HB2 ASN A 112 1.750 -11.397 12.055 1.00 0.00 H new ATOM 0 HB3 ASN A 112 0.710 -12.790 12.276 1.00 0.00 H new ATOM 0 HD21 ASN A 112 4.194 -13.011 13.994 1.00 0.00 H new ATOM 0 HD22 ASN A 112 3.126 -11.622 13.766 1.00 0.00 H new ATOM 1640 N GLY A 113 0.181 -12.030 8.507 1.00 0.00 N ATOM 1641 CA GLY A 113 -0.711 -11.139 7.793 1.00 0.00 C ATOM 1642 C GLY A 113 -0.266 -9.692 7.876 1.00 0.00 C ATOM 1643 O GLY A 113 -0.893 -8.881 8.557 1.00 0.00 O ATOM 0 H GLY A 113 0.358 -12.922 8.044 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.763 -11.442 6.747 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.717 -11.231 8.202 1.00 0.00 H new ATOM 1647 N ALA A 114 0.824 -9.367 7.186 1.00 0.00 N ATOM 1648 CA ALA A 114 1.351 -8.009 7.194 1.00 0.00 C ATOM 1649 C ALA A 114 1.352 -7.407 5.794 1.00 0.00 C ATOM 1650 O ALA A 114 1.592 -8.103 4.806 1.00 0.00 O ATOM 1651 CB ALA A 114 2.755 -7.990 7.777 1.00 0.00 C ATOM 0 H ALA A 114 1.357 -10.024 6.617 1.00 0.00 H new ATOM 0 HA ALA A 114 0.699 -7.401 7.821 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.135 -6.969 7.776 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.730 -8.367 8.799 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.408 -8.621 7.174 1.00 0.00 H new ATOM 1657 N LEU A 115 1.084 -6.107 5.716 1.00 0.00 N ATOM 1658 CA LEU A 115 1.057 -5.408 4.438 1.00 0.00 C ATOM 1659 C LEU A 115 2.450 -5.366 3.819 1.00 0.00 C ATOM 1660 O LEU A 115 3.175 -4.381 3.964 1.00 0.00 O ATOM 1661 CB LEU A 115 0.523 -3.987 4.622 1.00 0.00 C ATOM 1662 CG LEU A 115 0.549 -3.118 3.363 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -0.228 -3.788 2.239 1.00 0.00 C ATOM 1664 CD2 LEU A 115 -0.015 -1.736 3.656 1.00 0.00 C ATOM 0 H LEU A 115 0.883 -5.517 6.524 1.00 0.00 H new ATOM 0 HA LEU A 115 0.394 -5.951 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.503 -4.045 4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.107 -3.493 5.398 1.00 0.00 H new ATOM 0 HG LEU A 115 1.585 -3.003 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.200 -3.157 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.222 -4.755 2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.263 -3.933 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.012 -1.132 2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.045 -1.829 4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.584 -1.255 4.430 1.00 0.00 H new ATOM 1676 N CYS A 116 2.821 -6.441 3.130 1.00 0.00 N ATOM 1677 CA CYS A 116 4.129 -6.524 2.494 1.00 0.00 C ATOM 1678 C CYS A 116 4.503 -5.200 1.839 1.00 0.00 C ATOM 1679 O CYS A 116 3.639 -4.461 1.366 1.00 0.00 O ATOM 1680 CB CYS A 116 4.148 -7.646 1.455 1.00 0.00 C ATOM 1681 SG CYS A 116 5.447 -8.892 1.734 1.00 0.00 S ATOM 0 H CYS A 116 2.234 -7.265 2.999 1.00 0.00 H new ATOM 0 HA CYS A 116 4.865 -6.745 3.267 1.00 0.00 H new ATOM 0 HB2 CYS A 116 3.177 -8.142 1.453 1.00 0.00 H new ATOM 0 HB3 CYS A 116 4.284 -7.209 0.466 1.00 0.00 H new ATOM 1686 N HIS A 117 5.798 -4.910 1.818 1.00 0.00 N ATOM 1687 CA HIS A 117 6.300 -3.676 1.226 1.00 0.00 C ATOM 1688 C HIS A 117 7.120 -3.972 -0.025 1.00 0.00 C ATOM 1689 O HIS A 117 7.972 -4.859 -0.025 1.00 0.00 O ATOM 1690 CB HIS A 117 7.151 -2.911 2.242 1.00 0.00 C ATOM 1691 CG HIS A 117 8.080 -1.913 1.622 1.00 0.00 C ATOM 1692 ND1 HIS A 117 9.179 -2.088 0.852 1.00 0.00 N flip ATOM 1693 CD2 HIS A 117 7.929 -0.551 1.770 1.00 0.00 C flip ATOM 1694 CE1 HIS A 117 9.666 -0.839 0.551 1.00 0.00 C flip ATOM 1695 NE2 HIS A 117 8.895 0.071 1.115 1.00 0.00 N flip ATOM 0 H HIS A 117 6.522 -5.515 2.206 1.00 0.00 H new ATOM 0 HA HIS A 117 5.447 -3.060 0.942 1.00 0.00 H new ATOM 0 HB2 HIS A 117 6.491 -2.395 2.940 1.00 0.00 H new ATOM 0 HB3 HIS A 117 7.735 -3.624 2.824 1.00 0.00 H new ATOM 0 HD1 HIS A 117 9.572 -2.980 0.551 1.00 0.00 H new ATOM 0 HD2 HIS A 117 7.144 -0.067 2.333 1.00 0.00 H new ATOM 0 HE1 HIS A 117 10.539 -0.635 -0.051 1.00 0.00 H new ATOM 1704 N PHE A 118 6.856 -3.222 -1.089 1.00 0.00 N ATOM 1705 CA PHE A 118 7.571 -3.404 -2.345 1.00 0.00 C ATOM 1706 C PHE A 118 8.097 -2.072 -2.872 1.00 0.00 C ATOM 1707 O PHE A 118 7.393 -1.063 -2.852 1.00 0.00 O ATOM 1708 CB PHE A 118 6.655 -4.049 -3.387 1.00 0.00 C ATOM 1709 CG PHE A 118 6.496 -5.531 -3.215 1.00 0.00 C ATOM 1710 CD1 PHE A 118 7.441 -6.408 -3.725 1.00 0.00 C ATOM 1711 CD2 PHE A 118 5.399 -6.050 -2.547 1.00 0.00 C ATOM 1712 CE1 PHE A 118 7.294 -7.773 -3.571 1.00 0.00 C ATOM 1713 CE2 PHE A 118 5.246 -7.415 -2.392 1.00 0.00 C ATOM 1714 CZ PHE A 118 6.196 -8.276 -2.904 1.00 0.00 C ATOM 0 H PHE A 118 6.153 -2.483 -1.106 1.00 0.00 H new ATOM 0 HA PHE A 118 8.420 -4.061 -2.158 1.00 0.00 H new ATOM 0 HB2 PHE A 118 5.673 -3.579 -3.335 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.053 -3.848 -4.382 1.00 0.00 H new ATOM 0 HD1 PHE A 118 8.302 -6.020 -4.249 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.655 -5.380 -2.143 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.038 -8.446 -3.972 1.00 0.00 H new ATOM 0 HE2 PHE A 118 4.385 -7.807 -1.871 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.080 -9.343 -2.782 1.00 0.00 H new ATOM 1724 N PRO A 119 9.351 -2.056 -3.351 1.00 0.00 N ATOM 1725 CA PRO A 119 10.205 -3.239 -3.386 1.00 0.00 C ATOM 1726 C PRO A 119 10.955 -3.453 -2.075 1.00 0.00 C ATOM 1727 O PRO A 119 10.939 -2.596 -1.191 1.00 0.00 O ATOM 1728 CB PRO A 119 11.179 -2.905 -4.509 1.00 0.00 C ATOM 1729 CG PRO A 119 11.339 -1.423 -4.433 1.00 0.00 C ATOM 1730 CD PRO A 119 10.035 -0.872 -3.902 1.00 0.00 C ATOM 0 HA PRO A 119 9.640 -4.159 -3.537 1.00 0.00 H new ATOM 0 HB2 PRO A 119 12.133 -3.415 -4.373 1.00 0.00 H new ATOM 0 HB3 PRO A 119 10.788 -3.213 -5.479 1.00 0.00 H new ATOM 0 HG2 PRO A 119 12.168 -1.156 -3.777 1.00 0.00 H new ATOM 0 HG3 PRO A 119 11.564 -1.007 -5.415 1.00 0.00 H new ATOM 0 HD2 PRO A 119 10.203 -0.115 -3.136 1.00 0.00 H new ATOM 0 HD3 PRO A 119 9.448 -0.402 -4.691 1.00 0.00 H new ATOM 1738 N PHE A 120 11.618 -4.599 -1.960 1.00 0.00 N ATOM 1739 CA PHE A 120 12.383 -4.923 -0.762 1.00 0.00 C ATOM 1740 C PHE A 120 13.811 -5.313 -1.128 1.00 0.00 C ATOM 1741 O PHE A 120 14.198 -5.248 -2.295 1.00 0.00 O ATOM 1742 CB PHE A 120 11.710 -6.057 0.016 1.00 0.00 C ATOM 1743 CG PHE A 120 11.568 -7.330 -0.768 1.00 0.00 C ATOM 1744 CD1 PHE A 120 12.587 -8.270 -0.779 1.00 0.00 C ATOM 1745 CD2 PHE A 120 10.415 -7.589 -1.492 1.00 0.00 C ATOM 1746 CE1 PHE A 120 12.458 -9.443 -1.496 1.00 0.00 C ATOM 1747 CE2 PHE A 120 10.281 -8.761 -2.210 1.00 0.00 C ATOM 1748 CZ PHE A 120 11.303 -9.689 -2.213 1.00 0.00 C ATOM 0 H PHE A 120 11.641 -5.319 -2.682 1.00 0.00 H new ATOM 0 HA PHE A 120 12.415 -4.037 -0.128 1.00 0.00 H new ATOM 0 HB2 PHE A 120 12.288 -6.259 0.918 1.00 0.00 H new ATOM 0 HB3 PHE A 120 10.722 -5.728 0.338 1.00 0.00 H new ATOM 0 HD1 PHE A 120 13.492 -8.083 -0.220 1.00 0.00 H new ATOM 0 HD2 PHE A 120 9.612 -6.866 -1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 120 13.259 -10.167 -1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 120 9.377 -8.952 -2.769 1.00 0.00 H new ATOM 0 HZ PHE A 120 11.200 -10.606 -2.775 1.00 0.00 H new ATOM 1758 N LEU A 121 14.593 -5.714 -0.131 1.00 0.00 N ATOM 1759 CA LEU A 121 15.977 -6.105 -0.369 1.00 0.00 C ATOM 1760 C LEU A 121 16.291 -7.452 0.270 1.00 0.00 C ATOM 1761 O LEU A 121 16.118 -7.638 1.474 1.00 0.00 O ATOM 1762 CB LEU A 121 16.934 -5.036 0.170 1.00 0.00 C ATOM 1763 CG LEU A 121 18.390 -5.139 -0.309 1.00 0.00 C ATOM 1764 CD1 LEU A 121 18.522 -6.098 -1.481 1.00 0.00 C ATOM 1765 CD2 LEU A 121 18.921 -3.769 -0.694 1.00 0.00 C ATOM 0 H LEU A 121 14.295 -5.776 0.842 1.00 0.00 H new ATOM 0 HA LEU A 121 16.114 -6.199 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 121 16.548 -4.056 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 121 16.925 -5.083 1.259 1.00 0.00 H new ATOM 0 HG LEU A 121 18.983 -5.531 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 121 19.565 -6.147 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 121 18.187 -7.090 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 121 17.909 -5.745 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 121 19.954 -3.861 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 121 18.312 -3.356 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 121 18.879 -3.106 0.170 1.00 0.00 H new ATOM 1777 N TYR A 122 16.763 -8.387 -0.547 1.00 0.00 N ATOM 1778 CA TYR A 122 17.112 -9.719 -0.067 1.00 0.00 C ATOM 1779 C TYR A 122 18.597 -9.997 -0.286 1.00 0.00 C ATOM 1780 O TYR A 122 19.079 -9.983 -1.419 1.00 0.00 O ATOM 1781 CB TYR A 122 16.271 -10.779 -0.779 1.00 0.00 C ATOM 1782 CG TYR A 122 16.709 -12.197 -0.493 1.00 0.00 C ATOM 1783 CD1 TYR A 122 17.927 -12.676 -0.957 1.00 0.00 C ATOM 1784 CD2 TYR A 122 15.903 -13.057 0.242 1.00 0.00 C ATOM 1785 CE1 TYR A 122 18.331 -13.973 -0.699 1.00 0.00 C ATOM 1786 CE2 TYR A 122 16.299 -14.355 0.506 1.00 0.00 C ATOM 1787 CZ TYR A 122 17.513 -14.807 0.034 1.00 0.00 C ATOM 1788 OH TYR A 122 17.910 -16.098 0.295 1.00 0.00 O ATOM 0 H TYR A 122 16.913 -8.247 -1.546 1.00 0.00 H new ATOM 0 HA TYR A 122 16.903 -9.762 1.002 1.00 0.00 H new ATOM 0 HB2 TYR A 122 15.229 -10.663 -0.481 1.00 0.00 H new ATOM 0 HB3 TYR A 122 16.317 -10.604 -1.854 1.00 0.00 H new ATOM 0 HD1 TYR A 122 18.570 -12.024 -1.529 1.00 0.00 H new ATOM 0 HD2 TYR A 122 14.952 -12.706 0.613 1.00 0.00 H new ATOM 0 HE1 TYR A 122 19.281 -14.330 -1.069 1.00 0.00 H new ATOM 0 HE2 TYR A 122 15.661 -15.011 1.079 1.00 0.00 H new ATOM 0 HH TYR A 122 17.505 -16.704 -0.360 1.00 0.00 H new ATOM 1798 N ASN A 123 19.316 -10.244 0.803 1.00 0.00 N ATOM 1799 CA ASN A 123 20.746 -10.520 0.726 1.00 0.00 C ATOM 1800 C ASN A 123 21.452 -9.468 -0.124 1.00 0.00 C ATOM 1801 O ASN A 123 22.235 -9.798 -1.016 1.00 0.00 O ATOM 1802 CB ASN A 123 20.989 -11.912 0.142 1.00 0.00 C ATOM 1803 CG ASN A 123 22.264 -12.545 0.663 1.00 0.00 C ATOM 1804 OD1 ASN A 123 23.344 -12.341 0.107 1.00 0.00 O ATOM 1805 ND2 ASN A 123 22.145 -13.319 1.735 1.00 0.00 N ATOM 0 H ASN A 123 18.933 -10.259 1.748 1.00 0.00 H new ATOM 0 HA ASN A 123 21.155 -10.484 1.736 1.00 0.00 H new ATOM 0 HB2 ASN A 123 20.143 -12.556 0.382 1.00 0.00 H new ATOM 0 HB3 ASN A 123 21.039 -11.843 -0.945 1.00 0.00 H new ATOM 0 HD21 ASN A 123 22.969 -13.773 2.130 1.00 0.00 H new ATOM 0 HD22 ASN A 123 21.230 -13.460 2.163 1.00 0.00 H new ATOM 1812 N ASN A 124 21.163 -8.201 0.155 1.00 0.00 N ATOM 1813 CA ASN A 124 21.765 -7.098 -0.585 1.00 0.00 C ATOM 1814 C ASN A 124 21.426 -7.194 -2.067 1.00 0.00 C ATOM 1815 O ASN A 124 22.113 -6.620 -2.912 1.00 0.00 O ATOM 1816 CB ASN A 124 23.281 -7.087 -0.391 1.00 0.00 C ATOM 1817 CG ASN A 124 23.828 -5.688 -0.191 1.00 0.00 C ATOM 1818 OD1 ASN A 124 23.077 -4.745 0.059 1.00 0.00 O ATOM 1819 ND2 ASN A 124 25.144 -5.547 -0.301 1.00 0.00 N ATOM 0 H ASN A 124 20.515 -7.913 0.888 1.00 0.00 H new ATOM 0 HA ASN A 124 21.356 -6.166 -0.196 1.00 0.00 H new ATOM 0 HB2 ASN A 124 23.539 -7.702 0.472 1.00 0.00 H new ATOM 0 HB3 ASN A 124 23.759 -7.540 -1.259 1.00 0.00 H new ATOM 0 HD21 ASN A 124 25.571 -4.629 -0.177 1.00 0.00 H new ATOM 0 HD22 ASN A 124 25.728 -6.357 -0.509 1.00 0.00 H new ATOM 1826 N HIS A 125 20.353 -7.916 -2.374 1.00 0.00 N ATOM 1827 CA HIS A 125 19.909 -8.082 -3.752 1.00 0.00 C ATOM 1828 C HIS A 125 18.566 -7.390 -3.962 1.00 0.00 C ATOM 1829 O HIS A 125 17.511 -7.981 -3.735 1.00 0.00 O ATOM 1830 CB HIS A 125 19.794 -9.568 -4.100 1.00 0.00 C ATOM 1831 CG HIS A 125 20.220 -9.890 -5.499 1.00 0.00 C ATOM 1832 ND1 HIS A 125 21.450 -10.433 -5.804 1.00 0.00 N ATOM 1833 CD2 HIS A 125 19.572 -9.742 -6.678 1.00 0.00 C ATOM 1834 CE1 HIS A 125 21.541 -10.605 -7.111 1.00 0.00 C ATOM 1835 NE2 HIS A 125 20.415 -10.195 -7.664 1.00 0.00 N ATOM 0 H HIS A 125 19.774 -8.396 -1.685 1.00 0.00 H new ATOM 0 HA HIS A 125 20.647 -7.625 -4.411 1.00 0.00 H new ATOM 0 HB2 HIS A 125 20.402 -10.144 -3.402 1.00 0.00 H new ATOM 0 HB3 HIS A 125 18.761 -9.886 -3.961 1.00 0.00 H new ATOM 0 HD2 HIS A 125 18.578 -9.343 -6.818 1.00 0.00 H new ATOM 0 HE1 HIS A 125 22.392 -11.012 -7.637 1.00 0.00 H new ATOM 0 HE2 HIS A 125 20.205 -10.212 -8.662 1.00 0.00 H new ATOM 1844 N ASN A 126 18.613 -6.131 -4.384 1.00 0.00 N ATOM 1845 CA ASN A 126 17.400 -5.356 -4.615 1.00 0.00 C ATOM 1846 C ASN A 126 16.302 -6.231 -5.215 1.00 0.00 C ATOM 1847 O ASN A 126 16.209 -6.376 -6.434 1.00 0.00 O ATOM 1848 CB ASN A 126 17.693 -4.177 -5.545 1.00 0.00 C ATOM 1849 CG ASN A 126 17.961 -2.894 -4.785 1.00 0.00 C ATOM 1850 OD1 ASN A 126 17.045 -2.114 -4.523 1.00 0.00 O ATOM 1851 ND2 ASN A 126 19.222 -2.672 -4.428 1.00 0.00 N ATOM 0 H ASN A 126 19.479 -5.626 -4.573 1.00 0.00 H new ATOM 0 HA ASN A 126 17.053 -4.975 -3.655 1.00 0.00 H new ATOM 0 HB2 ASN A 126 18.556 -4.414 -6.167 1.00 0.00 H new ATOM 0 HB3 ASN A 126 16.847 -4.028 -6.216 1.00 0.00 H new ATOM 0 HD21 ASN A 126 19.465 -1.825 -3.914 1.00 0.00 H new ATOM 0 HD22 ASN A 126 19.947 -3.348 -4.668 1.00 0.00 H new ATOM 1857 N TYR A 127 15.474 -6.813 -4.353 1.00 0.00 N ATOM 1858 CA TYR A 127 14.385 -7.675 -4.802 1.00 0.00 C ATOM 1859 C TYR A 127 13.063 -6.914 -4.833 1.00 0.00 C ATOM 1860 O TYR A 127 12.805 -6.063 -3.982 1.00 0.00 O ATOM 1861 CB TYR A 127 14.260 -8.896 -3.888 1.00 0.00 C ATOM 1862 CG TYR A 127 14.856 -10.157 -4.473 1.00 0.00 C ATOM 1863 CD1 TYR A 127 14.115 -10.971 -5.321 1.00 0.00 C ATOM 1864 CD2 TYR A 127 16.161 -10.533 -4.178 1.00 0.00 C ATOM 1865 CE1 TYR A 127 14.657 -12.124 -5.856 1.00 0.00 C ATOM 1866 CE2 TYR A 127 16.710 -11.683 -4.710 1.00 0.00 C ATOM 1867 CZ TYR A 127 15.954 -12.475 -5.548 1.00 0.00 C ATOM 1868 OH TYR A 127 16.497 -13.623 -6.081 1.00 0.00 O ATOM 0 H TYR A 127 15.536 -6.704 -3.341 1.00 0.00 H new ATOM 0 HA TYR A 127 14.616 -8.008 -5.814 1.00 0.00 H new ATOM 0 HB2 TYR A 127 14.750 -8.680 -2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 127 13.206 -9.070 -3.671 1.00 0.00 H new ATOM 0 HD1 TYR A 127 13.099 -10.698 -5.566 1.00 0.00 H new ATOM 0 HD2 TYR A 127 16.756 -9.915 -3.522 1.00 0.00 H new ATOM 0 HE1 TYR A 127 14.067 -12.747 -6.512 1.00 0.00 H new ATOM 0 HE2 TYR A 127 17.726 -11.961 -4.471 1.00 0.00 H new ATOM 0 HH TYR A 127 17.419 -13.725 -5.766 1.00 0.00 H new ATOM 1878 N THR A 128 12.228 -7.226 -5.820 1.00 0.00 N ATOM 1879 CA THR A 128 10.933 -6.571 -5.962 1.00 0.00 C ATOM 1880 C THR A 128 9.886 -7.530 -6.517 1.00 0.00 C ATOM 1881 O THR A 128 9.514 -7.452 -7.688 1.00 0.00 O ATOM 1882 CB THR A 128 11.025 -5.339 -6.882 1.00 0.00 C ATOM 1883 OG1 THR A 128 10.998 -5.746 -8.254 1.00 0.00 O ATOM 1884 CG2 THR A 128 12.296 -4.552 -6.608 1.00 0.00 C ATOM 0 H THR A 128 12.426 -7.928 -6.533 1.00 0.00 H new ATOM 0 HA THR A 128 10.632 -6.250 -4.965 1.00 0.00 H new ATOM 0 HB THR A 128 10.167 -4.698 -6.677 1.00 0.00 H new ATOM 0 HG1 THR A 128 10.173 -6.244 -8.431 1.00 0.00 H new ATOM 0 HG21 THR A 128 12.338 -3.687 -7.270 1.00 0.00 H new ATOM 0 HG22 THR A 128 12.299 -4.216 -5.571 1.00 0.00 H new ATOM 0 HG23 THR A 128 13.163 -5.188 -6.786 1.00 0.00 H new ATOM 1892 N ASP A 129 9.413 -8.433 -5.666 1.00 0.00 N ATOM 1893 CA ASP A 129 8.404 -9.408 -6.065 1.00 0.00 C ATOM 1894 C ASP A 129 8.401 -10.602 -5.122 1.00 0.00 C ATOM 1895 O ASP A 129 9.453 -11.154 -4.800 1.00 0.00 O ATOM 1896 CB ASP A 129 8.651 -9.874 -7.501 1.00 0.00 C ATOM 1897 CG ASP A 129 10.117 -10.141 -7.779 1.00 0.00 C ATOM 1898 OD1 ASP A 129 10.937 -9.979 -6.851 1.00 0.00 O ATOM 1899 OD2 ASP A 129 10.445 -10.513 -8.925 1.00 0.00 O ATOM 0 H ASP A 129 9.712 -8.511 -4.694 1.00 0.00 H new ATOM 0 HA ASP A 129 7.428 -8.925 -6.013 1.00 0.00 H new ATOM 0 HB2 ASP A 129 8.077 -10.782 -7.689 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.285 -9.116 -8.194 1.00 0.00 H new ATOM 1904 N CYS A 130 7.210 -10.994 -4.680 1.00 0.00 N ATOM 1905 CA CYS A 130 7.067 -12.123 -3.771 1.00 0.00 C ATOM 1906 C CYS A 130 7.906 -13.304 -4.246 1.00 0.00 C ATOM 1907 O CYS A 130 7.428 -14.159 -4.994 1.00 0.00 O ATOM 1908 CB CYS A 130 5.598 -12.534 -3.658 1.00 0.00 C ATOM 1909 SG CYS A 130 5.035 -12.814 -1.948 1.00 0.00 S ATOM 0 H CYS A 130 6.331 -10.546 -4.937 1.00 0.00 H new ATOM 0 HA CYS A 130 7.423 -11.817 -2.787 1.00 0.00 H new ATOM 0 HB2 CYS A 130 4.979 -11.760 -4.111 1.00 0.00 H new ATOM 0 HB3 CYS A 130 5.441 -13.445 -4.235 1.00 0.00 H new ATOM 1914 N THR A 131 9.159 -13.340 -3.812 1.00 0.00 N ATOM 1915 CA THR A 131 10.073 -14.409 -4.198 1.00 0.00 C ATOM 1916 C THR A 131 9.794 -15.690 -3.418 1.00 0.00 C ATOM 1917 O THR A 131 9.110 -15.671 -2.395 1.00 0.00 O ATOM 1918 CB THR A 131 11.541 -13.999 -3.977 1.00 0.00 C ATOM 1919 OG1 THR A 131 12.412 -15.076 -4.344 1.00 0.00 O ATOM 1920 CG2 THR A 131 11.784 -13.619 -2.524 1.00 0.00 C ATOM 0 H THR A 131 9.567 -12.641 -3.192 1.00 0.00 H new ATOM 0 HA THR A 131 9.907 -14.593 -5.259 1.00 0.00 H new ATOM 0 HB THR A 131 11.750 -13.132 -4.604 1.00 0.00 H new ATOM 0 HG1 THR A 131 13.343 -14.806 -4.202 1.00 0.00 H new ATOM 0 HG21 THR A 131 12.828 -13.333 -2.392 1.00 0.00 H new ATOM 0 HG22 THR A 131 11.141 -12.781 -2.255 1.00 0.00 H new ATOM 0 HG23 THR A 131 11.557 -14.471 -1.882 1.00 0.00 H new ATOM 1928 N SER A 132 10.331 -16.801 -3.911 1.00 0.00 N ATOM 1929 CA SER A 132 10.145 -18.095 -3.264 1.00 0.00 C ATOM 1930 C SER A 132 11.491 -18.753 -2.975 1.00 0.00 C ATOM 1931 O SER A 132 11.560 -19.945 -2.678 1.00 0.00 O ATOM 1932 CB SER A 132 9.295 -19.011 -4.145 1.00 0.00 C ATOM 1933 OG SER A 132 8.372 -19.755 -3.367 1.00 0.00 O ATOM 0 H SER A 132 10.899 -16.831 -4.758 1.00 0.00 H new ATOM 0 HA SER A 132 9.628 -17.932 -2.318 1.00 0.00 H new ATOM 0 HB2 SER A 132 8.757 -18.415 -4.882 1.00 0.00 H new ATOM 0 HB3 SER A 132 9.942 -19.692 -4.697 1.00 0.00 H new ATOM 0 HG SER A 132 7.839 -19.143 -2.818 1.00 0.00 H new ATOM 1939 N GLU A 133 12.559 -17.966 -3.068 1.00 0.00 N ATOM 1940 CA GLU A 133 13.905 -18.469 -2.819 1.00 0.00 C ATOM 1941 C GLU A 133 13.979 -19.194 -1.480 1.00 0.00 C ATOM 1942 O GLU A 133 13.502 -18.691 -0.462 1.00 0.00 O ATOM 1943 CB GLU A 133 14.914 -17.320 -2.846 1.00 0.00 C ATOM 1944 CG GLU A 133 16.229 -17.680 -3.516 1.00 0.00 C ATOM 1945 CD GLU A 133 17.128 -18.515 -2.626 1.00 0.00 C ATOM 1946 OE1 GLU A 133 16.939 -18.481 -1.392 1.00 0.00 O ATOM 1947 OE2 GLU A 133 18.023 -19.202 -3.163 1.00 0.00 O ATOM 0 H GLU A 133 12.518 -16.977 -3.314 1.00 0.00 H new ATOM 0 HA GLU A 133 14.151 -19.179 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 133 14.471 -16.471 -3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 133 15.113 -16.998 -1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 133 16.026 -18.227 -4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 133 16.751 -16.766 -3.798 1.00 0.00 H new ATOM 1954 N GLY A 134 14.581 -20.379 -1.487 1.00 0.00 N ATOM 1955 CA GLY A 134 14.708 -21.155 -0.267 1.00 0.00 C ATOM 1956 C GLY A 134 13.454 -21.944 0.054 1.00 0.00 C ATOM 1957 O GLY A 134 13.467 -22.815 0.924 1.00 0.00 O ATOM 0 H GLY A 134 14.983 -20.816 -2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 134 15.550 -21.841 -0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 134 14.935 -20.486 0.563 1.00 0.00 H new ATOM 1961 N ARG A 135 12.368 -21.637 -0.646 1.00 0.00 N ATOM 1962 CA ARG A 135 11.099 -22.322 -0.429 1.00 0.00 C ATOM 1963 C ARG A 135 10.980 -23.550 -1.324 1.00 0.00 C ATOM 1964 O ARG A 135 11.205 -24.677 -0.883 1.00 0.00 O ATOM 1965 CB ARG A 135 9.935 -21.367 -0.691 1.00 0.00 C ATOM 1966 CG ARG A 135 9.931 -20.152 0.221 1.00 0.00 C ATOM 1967 CD ARG A 135 8.643 -20.063 1.020 1.00 0.00 C ATOM 1968 NE ARG A 135 8.214 -21.369 1.513 1.00 0.00 N ATOM 1969 CZ ARG A 135 6.965 -21.648 1.867 1.00 0.00 C ATOM 1970 NH1 ARG A 135 6.026 -20.717 1.782 1.00 0.00 N ATOM 1971 NH2 ARG A 135 6.654 -22.859 2.306 1.00 0.00 N ATOM 0 H ARG A 135 12.341 -20.918 -1.369 1.00 0.00 H new ATOM 0 HA ARG A 135 11.064 -22.653 0.609 1.00 0.00 H new ATOM 0 HB2 ARG A 135 9.976 -21.033 -1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.997 -21.908 -0.567 1.00 0.00 H new ATOM 0 HG2 ARG A 135 10.781 -20.204 0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 135 10.055 -19.248 -0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 135 8.785 -19.386 1.863 1.00 0.00 H new ATOM 0 HD3 ARG A 135 7.858 -19.635 0.396 1.00 0.00 H new ATOM 0 HE ARG A 135 8.913 -22.108 1.590 1.00 0.00 H new ATOM 0 HH11 ARG A 135 6.262 -19.784 1.444 1.00 0.00 H new ATOM 0 HH12 ARG A 135 5.067 -20.933 2.054 1.00 0.00 H new ATOM 0 HH21 ARG A 135 7.374 -23.578 2.372 1.00 0.00 H new ATOM 0 HH22 ARG A 135 5.694 -23.072 2.578 1.00 0.00 H new ATOM 1985 N ARG A 136 10.622 -23.323 -2.582 1.00 0.00 N ATOM 1986 CA ARG A 136 10.470 -24.411 -3.541 1.00 0.00 C ATOM 1987 C ARG A 136 9.096 -25.063 -3.412 1.00 0.00 C ATOM 1988 O ARG A 136 8.842 -26.118 -3.993 1.00 0.00 O ATOM 1989 CB ARG A 136 11.566 -25.459 -3.335 1.00 0.00 C ATOM 1990 CG ARG A 136 12.898 -24.868 -2.904 1.00 0.00 C ATOM 1991 CD ARG A 136 14.018 -25.271 -3.849 1.00 0.00 C ATOM 1992 NE ARG A 136 15.267 -24.578 -3.545 1.00 0.00 N ATOM 1993 CZ ARG A 136 16.131 -24.989 -2.623 1.00 0.00 C ATOM 1994 NH1 ARG A 136 15.881 -26.084 -1.919 1.00 0.00 N ATOM 1995 NH2 ARG A 136 17.246 -24.305 -2.404 1.00 0.00 N ATOM 0 H ARG A 136 10.432 -22.396 -2.962 1.00 0.00 H new ATOM 0 HA ARG A 136 10.561 -23.993 -4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 136 11.235 -26.176 -2.583 1.00 0.00 H new ATOM 0 HB3 ARG A 136 11.707 -26.013 -4.263 1.00 0.00 H new ATOM 0 HG2 ARG A 136 12.821 -23.781 -2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 136 13.135 -25.201 -1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 136 14.176 -26.348 -3.785 1.00 0.00 H new ATOM 0 HD3 ARG A 136 13.723 -25.052 -4.875 1.00 0.00 H new ATOM 0 HE ARG A 136 15.488 -23.732 -4.069 1.00 0.00 H new ATOM 0 HH11 ARG A 136 15.024 -26.612 -2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 136 16.545 -26.398 -1.212 1.00 0.00 H new ATOM 0 HH21 ARG A 136 17.441 -23.462 -2.944 1.00 0.00 H new ATOM 0 HH22 ARG A 136 17.908 -24.622 -1.696 1.00 0.00 H new ATOM 2009 N ASP A 137 8.215 -24.428 -2.645 1.00 0.00 N ATOM 2010 CA ASP A 137 6.867 -24.946 -2.440 1.00 0.00 C ATOM 2011 C ASP A 137 5.821 -23.954 -2.935 1.00 0.00 C ATOM 2012 O ASP A 137 6.102 -22.766 -3.087 1.00 0.00 O ATOM 2013 CB ASP A 137 6.635 -25.253 -0.959 1.00 0.00 C ATOM 2014 CG ASP A 137 6.598 -24.000 -0.106 1.00 0.00 C ATOM 2015 OD1 ASP A 137 7.675 -23.414 0.136 1.00 0.00 O ATOM 2016 OD2 ASP A 137 5.492 -23.604 0.319 1.00 0.00 O ATOM 0 H ASP A 137 8.410 -23.555 -2.156 1.00 0.00 H new ATOM 0 HA ASP A 137 6.768 -25.867 -3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 137 5.695 -25.794 -0.846 1.00 0.00 H new ATOM 0 HB3 ASP A 137 7.426 -25.911 -0.599 1.00 0.00 H new ATOM 2021 N ASN A 138 4.614 -24.451 -3.187 1.00 0.00 N ATOM 2022 CA ASN A 138 3.525 -23.613 -3.667 1.00 0.00 C ATOM 2023 C ASN A 138 3.235 -22.478 -2.691 1.00 0.00 C ATOM 2024 O ASN A 138 2.253 -22.519 -1.950 1.00 0.00 O ATOM 2025 CB ASN A 138 2.264 -24.454 -3.878 1.00 0.00 C ATOM 2026 CG ASN A 138 2.111 -25.541 -2.833 1.00 0.00 C ATOM 2027 OD1 ASN A 138 2.645 -26.640 -2.980 1.00 0.00 O ATOM 2028 ND2 ASN A 138 1.378 -25.239 -1.767 1.00 0.00 N ATOM 0 H ASN A 138 4.367 -25.433 -3.066 1.00 0.00 H new ATOM 0 HA ASN A 138 3.829 -23.177 -4.619 1.00 0.00 H new ATOM 0 HB2 ASN A 138 1.389 -23.804 -3.853 1.00 0.00 H new ATOM 0 HB3 ASN A 138 2.295 -24.908 -4.868 1.00 0.00 H new ATOM 0 HD21 ASN A 138 1.240 -25.931 -1.030 1.00 0.00 H new ATOM 0 HD22 ASN A 138 0.953 -24.315 -1.685 1.00 0.00 H new ATOM 2035 N MET A 139 4.094 -21.464 -2.697 1.00 0.00 N ATOM 2036 CA MET A 139 3.928 -20.317 -1.813 1.00 0.00 C ATOM 2037 C MET A 139 5.025 -19.283 -2.051 1.00 0.00 C ATOM 2038 O MET A 139 6.182 -19.496 -1.688 1.00 0.00 O ATOM 2039 CB MET A 139 3.945 -20.765 -0.351 1.00 0.00 C ATOM 2040 CG MET A 139 3.537 -19.673 0.624 1.00 0.00 C ATOM 2041 SD MET A 139 2.296 -20.226 1.809 1.00 0.00 S ATOM 2042 CE MET A 139 2.936 -21.841 2.242 1.00 0.00 C ATOM 0 H MET A 139 4.912 -21.414 -3.304 1.00 0.00 H new ATOM 0 HA MET A 139 2.965 -19.858 -2.034 1.00 0.00 H new ATOM 0 HB2 MET A 139 3.274 -21.616 -0.232 1.00 0.00 H new ATOM 0 HB3 MET A 139 4.947 -21.111 -0.097 1.00 0.00 H new ATOM 0 HG2 MET A 139 4.418 -19.325 1.163 1.00 0.00 H new ATOM 0 HG3 MET A 139 3.147 -18.821 0.067 1.00 0.00 H new ATOM 0 HE1 MET A 139 2.180 -22.599 2.037 1.00 0.00 H new ATOM 0 HE2 MET A 139 3.828 -22.049 1.651 1.00 0.00 H new ATOM 0 HE3 MET A 139 3.190 -21.859 3.302 1.00 0.00 H new ATOM 2052 N LYS A 140 4.653 -18.163 -2.661 1.00 0.00 N ATOM 2053 CA LYS A 140 5.604 -17.096 -2.946 1.00 0.00 C ATOM 2054 C LYS A 140 5.735 -16.152 -1.755 1.00 0.00 C ATOM 2055 O LYS A 140 4.769 -15.496 -1.360 1.00 0.00 O ATOM 2056 CB LYS A 140 5.168 -16.314 -4.187 1.00 0.00 C ATOM 2057 CG LYS A 140 6.130 -16.446 -5.358 1.00 0.00 C ATOM 2058 CD LYS A 140 5.785 -15.475 -6.474 1.00 0.00 C ATOM 2059 CE LYS A 140 6.936 -15.322 -7.455 1.00 0.00 C ATOM 2060 NZ LYS A 140 7.861 -16.489 -7.414 1.00 0.00 N ATOM 0 H LYS A 140 3.699 -17.971 -2.968 1.00 0.00 H new ATOM 0 HA LYS A 140 6.577 -17.550 -3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 140 4.182 -16.660 -4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 140 5.068 -15.260 -3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 140 7.148 -16.262 -5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 140 6.102 -17.466 -5.740 1.00 0.00 H new ATOM 0 HD2 LYS A 140 4.899 -15.827 -7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 140 5.537 -14.503 -6.048 1.00 0.00 H new ATOM 0 HE2 LYS A 140 6.540 -15.208 -8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 140 7.490 -14.412 -7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 8.452 -16.494 -8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 8.469 -16.420 -6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 7.308 -17.369 -7.370 1.00 0.00 H new ATOM 2074 N TRP A 141 6.934 -16.090 -1.185 1.00 0.00 N ATOM 2075 CA TRP A 141 7.190 -15.229 -0.037 1.00 0.00 C ATOM 2076 C TRP A 141 7.647 -13.843 -0.481 1.00 0.00 C ATOM 2077 O TRP A 141 8.230 -13.681 -1.555 1.00 0.00 O ATOM 2078 CB TRP A 141 8.238 -15.862 0.881 1.00 0.00 C ATOM 2079 CG TRP A 141 9.648 -15.581 0.460 1.00 0.00 C ATOM 2080 CD1 TRP A 141 10.464 -16.398 -0.267 1.00 0.00 C ATOM 2081 CD2 TRP A 141 10.408 -14.402 0.745 1.00 0.00 C ATOM 2082 NE1 TRP A 141 11.685 -15.798 -0.455 1.00 0.00 N ATOM 2083 CE2 TRP A 141 11.676 -14.572 0.156 1.00 0.00 C ATOM 2084 CE3 TRP A 141 10.140 -13.219 1.438 1.00 0.00 C ATOM 2085 CZ2 TRP A 141 12.672 -13.603 0.241 1.00 0.00 C ATOM 2086 CZ3 TRP A 141 11.130 -12.258 1.521 1.00 0.00 C ATOM 2087 CH2 TRP A 141 12.381 -12.454 0.926 1.00 0.00 C ATOM 0 H TRP A 141 7.743 -16.626 -1.499 1.00 0.00 H new ATOM 0 HA TRP A 141 6.257 -15.119 0.515 1.00 0.00 H new ATOM 0 HB2 TRP A 141 8.090 -15.494 1.896 1.00 0.00 H new ATOM 0 HB3 TRP A 141 8.083 -16.941 0.907 1.00 0.00 H new ATOM 0 HD1 TRP A 141 10.190 -17.374 -0.640 1.00 0.00 H new ATOM 0 HE1 TRP A 141 12.471 -16.200 -0.966 1.00 0.00 H new ATOM 0 HE3 TRP A 141 9.177 -13.058 1.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 13.639 -13.752 -0.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 10.934 -11.340 2.055 1.00 0.00 H new ATOM 0 HH2 TRP A 141 13.133 -11.683 1.009 1.00 0.00 H new ATOM 2098 N CYS A 142 7.371 -12.846 0.352 1.00 0.00 N ATOM 2099 CA CYS A 142 7.744 -11.469 0.051 1.00 0.00 C ATOM 2100 C CYS A 142 8.332 -10.788 1.283 1.00 0.00 C ATOM 2101 O CYS A 142 8.177 -11.268 2.406 1.00 0.00 O ATOM 2102 CB CYS A 142 6.516 -10.698 -0.457 1.00 0.00 C ATOM 2103 SG CYS A 142 6.476 -8.927 -0.015 1.00 0.00 S ATOM 0 H CYS A 142 6.889 -12.966 1.243 1.00 0.00 H new ATOM 0 HA CYS A 142 8.507 -11.473 -0.728 1.00 0.00 H new ATOM 0 HB2 CYS A 142 6.474 -10.787 -1.543 1.00 0.00 H new ATOM 0 HB3 CYS A 142 5.618 -11.175 -0.063 1.00 0.00 H new ATOM 2108 N GLY A 143 9.000 -9.661 1.063 1.00 0.00 N ATOM 2109 CA GLY A 143 9.594 -8.925 2.161 1.00 0.00 C ATOM 2110 C GLY A 143 8.647 -7.891 2.734 1.00 0.00 C ATOM 2111 O GLY A 143 8.068 -7.094 1.997 1.00 0.00 O ATOM 0 H GLY A 143 9.140 -9.244 0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 143 9.888 -9.621 2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 143 10.503 -8.432 1.816 1.00 0.00 H new ATOM 2115 N THR A 144 8.484 -7.906 4.053 1.00 0.00 N ATOM 2116 CA THR A 144 7.597 -6.963 4.723 1.00 0.00 C ATOM 2117 C THR A 144 8.314 -5.653 5.032 1.00 0.00 C ATOM 2118 O THR A 144 7.856 -4.864 5.858 1.00 0.00 O ATOM 2119 CB THR A 144 7.042 -7.552 6.033 1.00 0.00 C ATOM 2120 OG1 THR A 144 8.117 -8.040 6.845 1.00 0.00 O ATOM 2121 CG2 THR A 144 6.064 -8.680 5.747 1.00 0.00 C ATOM 0 H THR A 144 8.954 -8.560 4.678 1.00 0.00 H new ATOM 0 HA THR A 144 6.771 -6.767 4.040 1.00 0.00 H new ATOM 0 HB THR A 144 6.514 -6.761 6.566 1.00 0.00 H new ATOM 0 HG1 THR A 144 8.767 -7.322 6.994 1.00 0.00 H new ATOM 0 HG21 THR A 144 5.685 -9.080 6.687 1.00 0.00 H new ATOM 0 HG22 THR A 144 5.233 -8.299 5.154 1.00 0.00 H new ATOM 0 HG23 THR A 144 6.572 -9.471 5.194 1.00 0.00 H new ATOM 2129 N THR A 145 9.440 -5.428 4.364 1.00 0.00 N ATOM 2130 CA THR A 145 10.220 -4.214 4.567 1.00 0.00 C ATOM 2131 C THR A 145 11.178 -3.979 3.404 1.00 0.00 C ATOM 2132 O THR A 145 11.622 -4.925 2.751 1.00 0.00 O ATOM 2133 CB THR A 145 11.023 -4.277 5.880 1.00 0.00 C ATOM 2134 OG1 THR A 145 11.984 -5.337 5.817 1.00 0.00 O ATOM 2135 CG2 THR A 145 10.098 -4.494 7.069 1.00 0.00 C ATOM 0 H THR A 145 9.833 -6.071 3.677 1.00 0.00 H new ATOM 0 HA THR A 145 9.513 -3.386 4.624 1.00 0.00 H new ATOM 0 HB THR A 145 11.540 -3.326 6.010 1.00 0.00 H new ATOM 0 HG1 THR A 145 12.843 -4.982 5.505 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.687 -4.535 7.985 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.387 -3.671 7.132 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.557 -5.432 6.943 1.00 0.00 H new ATOM 2143 N GLN A 146 11.493 -2.714 3.148 1.00 0.00 N ATOM 2144 CA GLN A 146 12.398 -2.353 2.061 1.00 0.00 C ATOM 2145 C GLN A 146 13.579 -3.316 1.986 1.00 0.00 C ATOM 2146 O GLN A 146 14.156 -3.523 0.919 1.00 0.00 O ATOM 2147 CB GLN A 146 12.902 -0.920 2.245 1.00 0.00 C ATOM 2148 CG GLN A 146 14.180 -0.620 1.479 1.00 0.00 C ATOM 2149 CD GLN A 146 14.176 0.761 0.856 1.00 0.00 C ATOM 2150 OE1 GLN A 146 15.143 1.514 0.981 1.00 0.00 O ATOM 2151 NE2 GLN A 146 13.085 1.103 0.180 1.00 0.00 N ATOM 0 H GLN A 146 11.135 -1.920 3.679 1.00 0.00 H new ATOM 0 HA GLN A 146 11.843 -2.420 1.125 1.00 0.00 H new ATOM 0 HB2 GLN A 146 12.125 -0.227 1.924 1.00 0.00 H new ATOM 0 HB3 GLN A 146 13.073 -0.738 3.306 1.00 0.00 H new ATOM 0 HG2 GLN A 146 15.032 -0.708 2.153 1.00 0.00 H new ATOM 0 HG3 GLN A 146 14.314 -1.367 0.697 1.00 0.00 H new ATOM 0 HE21 GLN A 146 12.307 0.448 0.102 1.00 0.00 H new ATOM 0 HE22 GLN A 146 13.025 2.021 -0.261 1.00 0.00 H new ATOM 2160 N ASN A 147 13.934 -3.903 3.125 1.00 0.00 N ATOM 2161 CA ASN A 147 15.047 -4.845 3.185 1.00 0.00 C ATOM 2162 C ASN A 147 14.648 -6.119 3.925 1.00 0.00 C ATOM 2163 O ASN A 147 14.528 -6.130 5.150 1.00 0.00 O ATOM 2164 CB ASN A 147 16.258 -4.199 3.857 1.00 0.00 C ATOM 2165 CG ASN A 147 15.870 -3.130 4.864 1.00 0.00 C ATOM 2166 OD1 ASN A 147 14.807 -3.383 5.620 1.00 0.00 O flip ATOM 2167 ND2 ASN A 147 16.519 -2.089 4.961 1.00 0.00 N flip ATOM 0 H ASN A 147 13.468 -3.743 4.018 1.00 0.00 H new ATOM 0 HA ASN A 147 15.315 -5.115 2.164 1.00 0.00 H new ATOM 0 HB2 ASN A 147 16.844 -4.969 4.359 1.00 0.00 H new ATOM 0 HB3 ASN A 147 16.899 -3.758 3.094 1.00 0.00 H new ATOM 0 HD21 ASN A 147 17.329 -1.935 4.360 1.00 0.00 H new ATOM 0 HD22 ASN A 147 16.247 -1.380 5.642 1.00 0.00 H new ATOM 2174 N TYR A 148 14.444 -7.193 3.170 1.00 0.00 N ATOM 2175 CA TYR A 148 14.059 -8.474 3.749 1.00 0.00 C ATOM 2176 C TYR A 148 15.135 -8.985 4.702 1.00 0.00 C ATOM 2177 O TYR A 148 14.862 -9.262 5.868 1.00 0.00 O ATOM 2178 CB TYR A 148 13.811 -9.505 2.648 1.00 0.00 C ATOM 2179 CG TYR A 148 13.713 -10.922 3.162 1.00 0.00 C ATOM 2180 CD1 TYR A 148 12.698 -11.295 4.034 1.00 0.00 C ATOM 2181 CD2 TYR A 148 14.634 -11.887 2.776 1.00 0.00 C ATOM 2182 CE1 TYR A 148 12.603 -12.589 4.506 1.00 0.00 C ATOM 2183 CE2 TYR A 148 14.547 -13.184 3.245 1.00 0.00 C ATOM 2184 CZ TYR A 148 13.530 -13.530 4.109 1.00 0.00 C ATOM 2185 OH TYR A 148 13.439 -14.821 4.579 1.00 0.00 O ATOM 0 H TYR A 148 14.539 -7.201 2.154 1.00 0.00 H new ATOM 0 HA TYR A 148 13.137 -8.325 4.312 1.00 0.00 H new ATOM 0 HB2 TYR A 148 12.889 -9.252 2.125 1.00 0.00 H new ATOM 0 HB3 TYR A 148 14.618 -9.447 1.918 1.00 0.00 H new ATOM 0 HD1 TYR A 148 11.971 -10.561 4.348 1.00 0.00 H new ATOM 0 HD2 TYR A 148 15.431 -11.620 2.098 1.00 0.00 H new ATOM 0 HE1 TYR A 148 11.807 -12.863 5.183 1.00 0.00 H new ATOM 0 HE2 TYR A 148 15.272 -13.923 2.936 1.00 0.00 H new ATOM 0 HH TYR A 148 14.167 -15.358 4.203 1.00 0.00 H new ATOM 2195 N ASP A 149 16.357 -9.107 4.195 1.00 0.00 N ATOM 2196 CA ASP A 149 17.475 -9.582 5.002 1.00 0.00 C ATOM 2197 C ASP A 149 17.760 -8.626 6.156 1.00 0.00 C ATOM 2198 O ASP A 149 18.523 -8.945 7.068 1.00 0.00 O ATOM 2199 CB ASP A 149 18.727 -9.740 4.137 1.00 0.00 C ATOM 2200 CG ASP A 149 19.026 -11.191 3.813 1.00 0.00 C ATOM 2201 OD1 ASP A 149 19.718 -11.848 4.618 1.00 0.00 O ATOM 2202 OD2 ASP A 149 18.568 -11.669 2.754 1.00 0.00 O ATOM 0 H ASP A 149 16.598 -8.884 3.229 1.00 0.00 H new ATOM 0 HA ASP A 149 17.202 -10.553 5.416 1.00 0.00 H new ATOM 0 HB2 ASP A 149 18.597 -9.183 3.209 1.00 0.00 H new ATOM 0 HB3 ASP A 149 19.581 -9.303 4.655 1.00 0.00 H new ATOM 2207 N ALA A 150 17.137 -7.452 6.113 1.00 0.00 N ATOM 2208 CA ALA A 150 17.317 -6.450 7.152 1.00 0.00 C ATOM 2209 C ALA A 150 16.424 -6.750 8.349 1.00 0.00 C ATOM 2210 O ALA A 150 16.836 -6.599 9.500 1.00 0.00 O ATOM 2211 CB ALA A 150 17.014 -5.067 6.599 1.00 0.00 C ATOM 0 H ALA A 150 16.501 -7.173 5.366 1.00 0.00 H new ATOM 0 HA ALA A 150 18.354 -6.477 7.485 1.00 0.00 H new ATOM 0 HB1 ALA A 150 17.151 -4.323 7.384 1.00 0.00 H new ATOM 0 HB2 ALA A 150 17.689 -4.850 5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 150 15.984 -5.035 6.245 1.00 0.00 H new ATOM 2217 N ASP A 151 15.197 -7.177 8.069 1.00 0.00 N ATOM 2218 CA ASP A 151 14.243 -7.500 9.122 1.00 0.00 C ATOM 2219 C ASP A 151 13.827 -8.968 9.058 1.00 0.00 C ATOM 2220 O ASP A 151 12.906 -9.392 9.755 1.00 0.00 O ATOM 2221 CB ASP A 151 13.007 -6.603 9.012 1.00 0.00 C ATOM 2222 CG ASP A 151 13.366 -5.133 8.918 1.00 0.00 C ATOM 2223 OD1 ASP A 151 14.477 -4.822 8.439 1.00 0.00 O ATOM 2224 OD2 ASP A 151 12.537 -4.293 9.325 1.00 0.00 O ATOM 0 H ASP A 151 14.841 -7.307 7.122 1.00 0.00 H new ATOM 0 HA ASP A 151 14.730 -7.324 10.081 1.00 0.00 H new ATOM 0 HB2 ASP A 151 12.430 -6.890 8.133 1.00 0.00 H new ATOM 0 HB3 ASP A 151 12.367 -6.763 9.880 1.00 0.00 H new ATOM 2229 N GLN A 152 14.513 -9.737 8.219 1.00 0.00 N ATOM 2230 CA GLN A 152 14.216 -11.157 8.064 1.00 0.00 C ATOM 2231 C GLN A 152 12.718 -11.418 8.179 1.00 0.00 C ATOM 2232 O GLN A 152 12.295 -12.460 8.679 1.00 0.00 O ATOM 2233 CB GLN A 152 14.969 -11.975 9.114 1.00 0.00 C ATOM 2234 CG GLN A 152 15.224 -13.414 8.697 1.00 0.00 C ATOM 2235 CD GLN A 152 16.655 -13.849 8.947 1.00 0.00 C ATOM 2236 OE1 GLN A 152 16.942 -14.555 9.914 1.00 0.00 O ATOM 2237 NE2 GLN A 152 17.562 -13.429 8.073 1.00 0.00 N ATOM 0 H GLN A 152 15.279 -9.401 7.635 1.00 0.00 H new ATOM 0 HA GLN A 152 14.544 -11.463 7.070 1.00 0.00 H new ATOM 0 HB2 GLN A 152 15.923 -11.492 9.323 1.00 0.00 H new ATOM 0 HB3 GLN A 152 14.399 -11.970 10.043 1.00 0.00 H new ATOM 0 HG2 GLN A 152 14.548 -14.072 9.243 1.00 0.00 H new ATOM 0 HG3 GLN A 152 14.993 -13.528 7.638 1.00 0.00 H new ATOM 0 HE21 GLN A 152 17.280 -12.845 7.286 1.00 0.00 H new ATOM 0 HE22 GLN A 152 18.541 -13.690 8.189 1.00 0.00 H new ATOM 2246 N LYS A 153 11.919 -10.464 7.712 1.00 0.00 N ATOM 2247 CA LYS A 153 10.467 -10.591 7.761 1.00 0.00 C ATOM 2248 C LYS A 153 9.903 -10.907 6.380 1.00 0.00 C ATOM 2249 O LYS A 153 9.929 -10.066 5.481 1.00 0.00 O ATOM 2250 CB LYS A 153 9.841 -9.304 8.299 1.00 0.00 C ATOM 2251 CG LYS A 153 10.387 -8.882 9.653 1.00 0.00 C ATOM 2252 CD LYS A 153 9.283 -8.371 10.564 1.00 0.00 C ATOM 2253 CE LYS A 153 9.560 -8.709 12.019 1.00 0.00 C ATOM 2254 NZ LYS A 153 9.550 -10.179 12.260 1.00 0.00 N ATOM 0 H LYS A 153 12.252 -9.595 7.295 1.00 0.00 H new ATOM 0 HA LYS A 153 10.220 -11.414 8.431 1.00 0.00 H new ATOM 0 HB2 LYS A 153 10.010 -8.500 7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 153 8.762 -9.440 8.378 1.00 0.00 H new ATOM 0 HG2 LYS A 153 10.887 -9.728 10.125 1.00 0.00 H new ATOM 0 HG3 LYS A 153 11.138 -8.103 9.517 1.00 0.00 H new ATOM 0 HD2 LYS A 153 9.188 -7.291 10.452 1.00 0.00 H new ATOM 0 HD3 LYS A 153 8.331 -8.807 10.263 1.00 0.00 H new ATOM 0 HE2 LYS A 153 10.528 -8.300 12.309 1.00 0.00 H new ATOM 0 HE3 LYS A 153 8.811 -8.232 12.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 9.285 -10.367 13.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 8.861 -10.630 11.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 10.497 -10.568 12.075 1.00 0.00 H new ATOM 2268 N PHE A 154 9.393 -12.123 6.217 1.00 0.00 N ATOM 2269 CA PHE A 154 8.822 -12.548 4.945 1.00 0.00 C ATOM 2270 C PHE A 154 7.298 -12.571 5.011 1.00 0.00 C ATOM 2271 O PHE A 154 6.713 -12.461 6.089 1.00 0.00 O ATOM 2272 CB PHE A 154 9.349 -13.932 4.560 1.00 0.00 C ATOM 2273 CG PHE A 154 8.974 -15.011 5.535 1.00 0.00 C ATOM 2274 CD1 PHE A 154 7.693 -15.539 5.547 1.00 0.00 C ATOM 2275 CD2 PHE A 154 9.904 -15.497 6.440 1.00 0.00 C ATOM 2276 CE1 PHE A 154 7.346 -16.532 6.443 1.00 0.00 C ATOM 2277 CE2 PHE A 154 9.563 -16.490 7.339 1.00 0.00 C ATOM 2278 CZ PHE A 154 8.282 -17.008 7.340 1.00 0.00 C ATOM 0 H PHE A 154 9.364 -12.831 6.950 1.00 0.00 H new ATOM 0 HA PHE A 154 9.123 -11.828 4.184 1.00 0.00 H new ATOM 0 HB2 PHE A 154 8.966 -14.196 3.574 1.00 0.00 H new ATOM 0 HB3 PHE A 154 10.435 -13.888 4.479 1.00 0.00 H new ATOM 0 HD1 PHE A 154 6.957 -15.170 4.848 1.00 0.00 H new ATOM 0 HD2 PHE A 154 10.907 -15.095 6.443 1.00 0.00 H new ATOM 0 HE1 PHE A 154 6.344 -16.935 6.442 1.00 0.00 H new ATOM 0 HE2 PHE A 154 10.297 -16.860 8.040 1.00 0.00 H new ATOM 0 HZ PHE A 154 8.013 -17.784 8.041 1.00 0.00 H new ATOM 2288 N GLY A 155 6.661 -12.714 3.854 1.00 0.00 N ATOM 2289 CA GLY A 155 5.211 -12.746 3.806 1.00 0.00 C ATOM 2290 C GLY A 155 4.684 -13.390 2.539 1.00 0.00 C ATOM 2291 O GLY A 155 5.218 -13.166 1.453 1.00 0.00 O ATOM 0 H GLY A 155 7.122 -12.808 2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 155 4.834 -13.292 4.671 1.00 0.00 H new ATOM 0 HA3 GLY A 155 4.826 -11.729 3.879 1.00 0.00 H new ATOM 2295 N PHE A 156 3.631 -14.188 2.677 1.00 0.00 N ATOM 2296 CA PHE A 156 3.028 -14.863 1.534 1.00 0.00 C ATOM 2297 C PHE A 156 2.008 -13.960 0.850 1.00 0.00 C ATOM 2298 O PHE A 156 1.028 -13.539 1.465 1.00 0.00 O ATOM 2299 CB PHE A 156 2.357 -16.164 1.978 1.00 0.00 C ATOM 2300 CG PHE A 156 3.286 -17.112 2.681 1.00 0.00 C ATOM 2301 CD1 PHE A 156 4.591 -17.276 2.244 1.00 0.00 C ATOM 2302 CD2 PHE A 156 2.854 -17.837 3.780 1.00 0.00 C ATOM 2303 CE1 PHE A 156 5.448 -18.147 2.890 1.00 0.00 C ATOM 2304 CE2 PHE A 156 3.707 -18.710 4.429 1.00 0.00 C ATOM 2305 CZ PHE A 156 5.005 -18.865 3.983 1.00 0.00 C ATOM 0 H PHE A 156 3.177 -14.383 3.569 1.00 0.00 H new ATOM 0 HA PHE A 156 3.819 -15.096 0.821 1.00 0.00 H new ATOM 0 HB2 PHE A 156 1.525 -15.926 2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 156 1.936 -16.662 1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 156 4.942 -16.717 1.389 1.00 0.00 H new ATOM 0 HD2 PHE A 156 1.840 -17.719 4.133 1.00 0.00 H new ATOM 0 HE1 PHE A 156 6.463 -18.266 2.540 1.00 0.00 H new ATOM 0 HE2 PHE A 156 3.359 -19.270 5.284 1.00 0.00 H new ATOM 0 HZ PHE A 156 5.673 -19.547 4.489 1.00 0.00 H new ATOM 2315 N CYS A 157 2.244 -13.664 -0.423 1.00 0.00 N ATOM 2316 CA CYS A 157 1.342 -12.806 -1.187 1.00 0.00 C ATOM 2317 C CYS A 157 0.253 -13.624 -1.869 1.00 0.00 C ATOM 2318 O CYS A 157 0.275 -14.855 -1.843 1.00 0.00 O ATOM 2319 CB CYS A 157 2.124 -12.012 -2.235 1.00 0.00 C ATOM 2320 SG CYS A 157 3.696 -11.321 -1.629 1.00 0.00 S ATOM 0 H CYS A 157 3.050 -14.004 -0.948 1.00 0.00 H new ATOM 0 HA CYS A 157 0.869 -12.114 -0.490 1.00 0.00 H new ATOM 0 HB2 CYS A 157 2.330 -12.660 -3.087 1.00 0.00 H new ATOM 0 HB3 CYS A 157 1.498 -11.197 -2.599 1.00 0.00 H new ATOM 2325 N PRO A 158 -0.721 -12.940 -2.489 1.00 0.00 N ATOM 2326 CA PRO A 158 -1.834 -13.594 -3.184 1.00 0.00 C ATOM 2327 C PRO A 158 -1.367 -14.408 -4.385 1.00 0.00 C ATOM 2328 O PRO A 158 -0.236 -14.261 -4.845 1.00 0.00 O ATOM 2329 CB PRO A 158 -2.717 -12.424 -3.645 1.00 0.00 C ATOM 2330 CG PRO A 158 -2.269 -11.250 -2.840 1.00 0.00 C ATOM 2331 CD PRO A 158 -0.813 -11.476 -2.558 1.00 0.00 C ATOM 0 HA PRO A 158 -2.351 -14.303 -2.537 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -2.597 -12.238 -4.712 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -3.772 -12.637 -3.475 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -2.421 -10.320 -3.388 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -2.839 -11.171 -1.914 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -0.180 -11.067 -3.345 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -0.504 -11.006 -1.624 1.00 0.00 H new