USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 717 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 88 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 90 THR OG1 : rot 25:sc= 0.411 USER MOD Set 2.1: A 16 ASN : amide:sc= 0 K(o=1,f=-1.1) USER MOD Set 2.2: A 74 ASN : amide:sc= 1.01 K(o=1,f=0.26) USER MOD Set 3.1: A 55 ASN : amide:sc= -0.519 K(o=-0.52,f=-6.2!) USER MOD Set 3.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 48 SER OG : rot -5:sc= 1.14 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00498 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 67:sc= 0.51 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.492 K(o=-0.49,f=0.094) USER MOD Single : A 10 THR OG1 : rot -140:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 40:sc= -0.79 USER MOD Single : A 20 ASN : amide:sc= -0.0913 K(o=-0.091,f=-2.1!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -89:sc= 0.0786 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.15 K(o=-1.2,f=-0.1) USER MOD Single : A 34 SER OG : rot 65:sc= -2.79! USER MOD Single : A 36 ASN : amide:sc= -0.633 X(o=-0.63,f=-0.87!) USER MOD Single : A 37 CYS SG : rot 94:sc= 0.318 USER MOD Single : A 40 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0397) USER MOD Single : A 43 SER OG : rot 3:sc= 1.15 USER MOD Single : A 47 CYS SG : rot 62:sc= 0.182 USER MOD Single : A 56 GLN : amide:sc= -0.0181 K(o=-0.018,f=-0.91) USER MOD Single : A 63 GLN : amide:sc= -0.244 K(o=-0.24,f=-3.1!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 141:sc= -1.53 (180deg=-2.8!) USER MOD Single : A 68 ASN : amide:sc= -0.133 K(o=-0.13,f=0.41) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -130:sc= -0.113 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -1.65! K(o=-1.6!,f=-0.73) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.888 17.850 14.110 1.00 0.00 N ATOM 2 CA GLY A 1 16.940 17.502 13.068 1.00 0.00 C ATOM 3 C GLY A 1 17.435 16.372 12.187 1.00 0.00 C ATOM 4 O GLY A 1 18.593 16.363 11.770 1.00 0.00 O ATOM 0 H1 GLY A 1 17.503 18.627 14.684 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.057 17.022 14.716 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.785 18.151 13.677 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.993 17.214 13.524 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.744 18.380 12.452 1.00 0.00 H new ATOM 8 N SER A 2 16.556 15.416 11.903 1.00 0.00 N ATOM 9 CA SER A 2 16.912 14.273 11.071 1.00 0.00 C ATOM 10 C SER A 2 16.626 14.563 9.600 1.00 0.00 C ATOM 11 O SER A 2 17.468 14.326 8.734 1.00 0.00 O ATOM 12 CB SER A 2 16.141 13.030 11.517 1.00 0.00 C ATOM 13 OG SER A 2 14.745 13.272 11.526 1.00 0.00 O ATOM 0 H SER A 2 15.592 15.411 12.237 1.00 0.00 H new ATOM 0 HA SER A 2 17.980 14.089 11.187 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.365 12.200 10.847 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.468 12.733 12.513 1.00 0.00 H new ATOM 0 HG SER A 2 14.274 12.462 11.813 1.00 0.00 H new ATOM 19 N SER A 3 15.431 15.076 9.327 1.00 0.00 N ATOM 20 CA SER A 3 15.030 15.395 7.961 1.00 0.00 C ATOM 21 C SER A 3 16.031 16.344 7.309 1.00 0.00 C ATOM 22 O SER A 3 16.411 17.359 7.891 1.00 0.00 O ATOM 23 CB SER A 3 13.634 16.020 7.950 1.00 0.00 C ATOM 24 OG SER A 3 12.631 15.033 8.114 1.00 0.00 O ATOM 0 H SER A 3 14.723 15.280 10.033 1.00 0.00 H new ATOM 0 HA SER A 3 15.009 14.468 7.388 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.556 16.758 8.749 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.477 16.550 7.010 1.00 0.00 H new ATOM 0 HG SER A 3 11.748 15.459 8.105 1.00 0.00 H new ATOM 30 N GLY A 4 16.453 16.005 6.094 1.00 0.00 N ATOM 31 CA GLY A 4 17.406 16.836 5.382 1.00 0.00 C ATOM 32 C GLY A 4 17.739 16.288 4.008 1.00 0.00 C ATOM 33 O GLY A 4 18.819 15.735 3.798 1.00 0.00 O ATOM 0 H GLY A 4 16.152 15.170 5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.001 17.843 5.280 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.321 16.919 5.969 1.00 0.00 H new ATOM 37 N SER A 5 16.809 16.441 3.071 1.00 0.00 N ATOM 38 CA SER A 5 17.007 15.952 1.711 1.00 0.00 C ATOM 39 C SER A 5 16.208 16.785 0.713 1.00 0.00 C ATOM 40 O SER A 5 15.343 17.572 1.096 1.00 0.00 O ATOM 41 CB SER A 5 16.597 14.482 1.610 1.00 0.00 C ATOM 42 OG SER A 5 15.203 14.326 1.811 1.00 0.00 O ATOM 0 H SER A 5 15.911 16.899 3.228 1.00 0.00 H new ATOM 0 HA SER A 5 18.066 16.043 1.469 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.872 14.091 0.630 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.142 13.898 2.351 1.00 0.00 H new ATOM 0 HG SER A 5 14.966 13.378 1.740 1.00 0.00 H new ATOM 48 N SER A 6 16.505 16.605 -0.570 1.00 0.00 N ATOM 49 CA SER A 6 15.818 17.342 -1.624 1.00 0.00 C ATOM 50 C SER A 6 14.513 16.651 -2.008 1.00 0.00 C ATOM 51 O SER A 6 14.187 16.525 -3.187 1.00 0.00 O ATOM 52 CB SER A 6 16.719 17.473 -2.854 1.00 0.00 C ATOM 53 OG SER A 6 16.823 16.240 -3.544 1.00 0.00 O ATOM 0 H SER A 6 17.217 15.955 -0.905 1.00 0.00 H new ATOM 0 HA SER A 6 15.585 18.337 -1.245 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.318 18.235 -3.523 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.711 17.807 -2.548 1.00 0.00 H new ATOM 0 HG SER A 6 15.953 16.008 -3.932 1.00 0.00 H new ATOM 59 N GLY A 7 13.769 16.205 -1.000 1.00 0.00 N ATOM 60 CA GLY A 7 12.508 15.532 -1.251 1.00 0.00 C ATOM 61 C GLY A 7 11.566 15.604 -0.065 1.00 0.00 C ATOM 62 O GLY A 7 11.906 15.162 1.033 1.00 0.00 O ATOM 0 H GLY A 7 14.017 16.298 -0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.027 15.980 -2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.700 14.487 -1.496 1.00 0.00 H new ATOM 66 N CYS A 8 10.382 16.164 -0.285 1.00 0.00 N ATOM 67 CA CYS A 8 9.389 16.295 0.775 1.00 0.00 C ATOM 68 C CYS A 8 8.291 15.248 0.624 1.00 0.00 C ATOM 69 O CYS A 8 7.110 15.538 0.820 1.00 0.00 O ATOM 70 CB CYS A 8 8.779 17.697 0.760 1.00 0.00 C ATOM 71 SG CYS A 8 9.775 18.945 1.610 1.00 0.00 S ATOM 0 H CYS A 8 10.086 16.535 -1.188 1.00 0.00 H new ATOM 0 HA CYS A 8 9.890 16.135 1.730 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.633 18.007 -0.275 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.793 17.658 1.223 1.00 0.00 H new ATOM 0 HG CYS A 8 9.178 20.098 1.541 1.00 0.00 H new ATOM 77 N HIS A 9 8.687 14.028 0.273 1.00 0.00 N ATOM 78 CA HIS A 9 7.736 12.937 0.094 1.00 0.00 C ATOM 79 C HIS A 9 6.819 12.812 1.307 1.00 0.00 C ATOM 80 O HIS A 9 7.134 13.303 2.391 1.00 0.00 O ATOM 81 CB HIS A 9 8.476 11.620 -0.138 1.00 0.00 C ATOM 82 CG HIS A 9 8.755 11.336 -1.582 1.00 0.00 C ATOM 83 ND1 HIS A 9 9.826 11.875 -2.263 1.00 0.00 N ATOM 84 CD2 HIS A 9 8.095 10.562 -2.476 1.00 0.00 C ATOM 85 CE1 HIS A 9 9.812 11.447 -3.512 1.00 0.00 C ATOM 86 NE2 HIS A 9 8.772 10.648 -3.667 1.00 0.00 N ATOM 0 H HIS A 9 9.660 13.771 0.107 1.00 0.00 H new ATOM 0 HA HIS A 9 7.125 13.160 -0.781 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.419 11.641 0.408 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.886 10.803 0.277 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.202 9.985 -2.287 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.529 11.706 -4.277 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.514 10.172 -4.531 1.00 0.00 H new ATOM 94 N THR A 10 5.681 12.151 1.117 1.00 0.00 N ATOM 95 CA THR A 10 4.717 11.963 2.194 1.00 0.00 C ATOM 96 C THR A 10 4.341 10.493 2.345 1.00 0.00 C ATOM 97 O THR A 10 3.613 9.940 1.519 1.00 0.00 O ATOM 98 CB THR A 10 3.438 12.786 1.953 1.00 0.00 C ATOM 99 OG1 THR A 10 3.780 14.110 1.529 1.00 0.00 O ATOM 100 CG2 THR A 10 2.593 12.855 3.217 1.00 0.00 C ATOM 0 H THR A 10 5.405 11.737 0.227 1.00 0.00 H new ATOM 0 HA THR A 10 5.195 12.309 3.110 1.00 0.00 H new ATOM 0 HB THR A 10 2.857 12.294 1.173 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.178 14.756 1.955 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.695 13.441 3.023 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.310 11.847 3.521 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.168 13.326 4.014 1.00 0.00 H new ATOM 108 N LEU A 11 4.841 9.865 3.403 1.00 0.00 N ATOM 109 CA LEU A 11 4.556 8.458 3.663 1.00 0.00 C ATOM 110 C LEU A 11 3.334 8.307 4.562 1.00 0.00 C ATOM 111 O LEU A 11 3.038 9.181 5.378 1.00 0.00 O ATOM 112 CB LEU A 11 5.767 7.784 4.311 1.00 0.00 C ATOM 113 CG LEU A 11 7.108 7.994 3.608 1.00 0.00 C ATOM 114 CD1 LEU A 11 8.247 7.982 4.616 1.00 0.00 C ATOM 115 CD2 LEU A 11 7.325 6.929 2.543 1.00 0.00 C ATOM 0 H LEU A 11 5.446 10.308 4.095 1.00 0.00 H new ATOM 0 HA LEU A 11 4.344 7.973 2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.855 8.148 5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.574 6.713 4.369 1.00 0.00 H new ATOM 0 HG LEU A 11 7.092 8.969 3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.194 8.133 4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.099 8.782 5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.265 7.022 5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.285 7.095 2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.320 5.943 3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.526 6.985 1.804 1.00 0.00 H new ATOM 127 N LEU A 12 2.628 7.192 4.409 1.00 0.00 N ATOM 128 CA LEU A 12 1.438 6.924 5.209 1.00 0.00 C ATOM 129 C LEU A 12 1.654 5.720 6.120 1.00 0.00 C ATOM 130 O LEU A 12 2.512 4.876 5.859 1.00 0.00 O ATOM 131 CB LEU A 12 0.232 6.680 4.300 1.00 0.00 C ATOM 132 CG LEU A 12 -0.332 7.911 3.589 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.674 7.590 2.951 1.00 0.00 C ATOM 134 CD2 LEU A 12 -0.466 9.074 4.561 1.00 0.00 C ATOM 0 H LEU A 12 2.859 6.459 3.738 1.00 0.00 H new ATOM 0 HA LEU A 12 1.245 7.798 5.832 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.514 5.946 3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.563 6.234 4.897 1.00 0.00 H new ATOM 0 HG LEU A 12 0.362 8.201 2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.060 8.478 2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.548 6.788 2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.377 7.274 3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.869 9.941 4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.139 8.795 5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.514 9.320 4.971 1.00 0.00 H new ATOM 146 N TYR A 13 0.868 5.644 7.189 1.00 0.00 N ATOM 147 CA TYR A 13 0.973 4.543 8.139 1.00 0.00 C ATOM 148 C TYR A 13 -0.368 3.836 8.303 1.00 0.00 C ATOM 149 O TYR A 13 -1.315 4.395 8.857 1.00 0.00 O ATOM 150 CB TYR A 13 1.461 5.057 9.494 1.00 0.00 C ATOM 151 CG TYR A 13 2.814 5.729 9.436 1.00 0.00 C ATOM 152 CD1 TYR A 13 3.765 5.341 8.500 1.00 0.00 C ATOM 153 CD2 TYR A 13 3.142 6.752 10.317 1.00 0.00 C ATOM 154 CE1 TYR A 13 5.003 5.951 8.444 1.00 0.00 C ATOM 155 CE2 TYR A 13 4.377 7.370 10.267 1.00 0.00 C ATOM 156 CZ TYR A 13 5.304 6.965 9.329 1.00 0.00 C ATOM 157 OH TYR A 13 6.535 7.577 9.276 1.00 0.00 O ATOM 0 H TYR A 13 0.151 6.332 7.419 1.00 0.00 H new ATOM 0 HA TYR A 13 1.695 3.826 7.748 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.731 5.763 9.890 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.509 4.223 10.194 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.532 4.549 7.804 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.419 7.070 11.054 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.731 5.636 7.711 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.615 8.165 10.958 1.00 0.00 H new ATOM 0 HH TYR A 13 6.585 8.271 9.966 1.00 0.00 H new ATOM 167 N VAL A 14 -0.441 2.600 7.818 1.00 0.00 N ATOM 168 CA VAL A 14 -1.665 1.813 7.912 1.00 0.00 C ATOM 169 C VAL A 14 -1.648 0.914 9.143 1.00 0.00 C ATOM 170 O VAL A 14 -0.593 0.435 9.560 1.00 0.00 O ATOM 171 CB VAL A 14 -1.871 0.943 6.658 1.00 0.00 C ATOM 172 CG1 VAL A 14 -3.208 0.220 6.722 1.00 0.00 C ATOM 173 CG2 VAL A 14 -1.776 1.793 5.399 1.00 0.00 C ATOM 0 H VAL A 14 0.333 2.122 7.356 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.490 2.521 7.994 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.081 0.193 6.624 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.335 -0.389 5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.234 -0.420 7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.014 0.951 6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.924 1.162 4.522 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.544 2.566 5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.792 2.260 5.348 1.00 0.00 H new ATOM 183 N TYR A 15 -2.822 0.689 9.721 1.00 0.00 N ATOM 184 CA TYR A 15 -2.942 -0.152 10.906 1.00 0.00 C ATOM 185 C TYR A 15 -4.196 -1.018 10.836 1.00 0.00 C ATOM 186 O TYR A 15 -5.020 -0.864 9.935 1.00 0.00 O ATOM 187 CB TYR A 15 -2.976 0.712 12.168 1.00 0.00 C ATOM 188 CG TYR A 15 -1.854 1.724 12.240 1.00 0.00 C ATOM 189 CD1 TYR A 15 -1.971 2.964 11.625 1.00 0.00 C ATOM 190 CD2 TYR A 15 -0.678 1.439 12.923 1.00 0.00 C ATOM 191 CE1 TYR A 15 -0.949 3.891 11.687 1.00 0.00 C ATOM 192 CE2 TYR A 15 0.349 2.361 12.991 1.00 0.00 C ATOM 193 CZ TYR A 15 0.209 3.585 12.372 1.00 0.00 C ATOM 194 OH TYR A 15 1.229 4.506 12.437 1.00 0.00 O ATOM 0 H TYR A 15 -3.705 1.077 9.388 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.072 -0.807 10.944 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.930 1.236 12.213 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.926 0.064 13.043 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.877 3.207 11.089 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.565 0.481 13.409 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.056 4.850 11.202 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.257 2.124 13.526 1.00 0.00 H new ATOM 0 HH TYR A 15 0.853 5.402 12.563 1.00 0.00 H new ATOM 204 N ASN A 16 -4.333 -1.929 11.794 1.00 0.00 N ATOM 205 CA ASN A 16 -5.486 -2.820 11.842 1.00 0.00 C ATOM 206 C ASN A 16 -5.565 -3.676 10.581 1.00 0.00 C ATOM 207 O ASN A 16 -6.603 -3.732 9.919 1.00 0.00 O ATOM 208 CB ASN A 16 -6.775 -2.012 12.005 1.00 0.00 C ATOM 209 CG ASN A 16 -7.852 -2.784 12.744 1.00 0.00 C ATOM 210 OD1 ASN A 16 -8.151 -3.930 12.408 1.00 0.00 O ATOM 211 ND2 ASN A 16 -8.439 -2.156 13.756 1.00 0.00 N ATOM 0 H ASN A 16 -3.660 -2.069 12.547 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.368 -3.480 12.701 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.557 -1.090 12.545 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.147 -1.725 11.022 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.171 -2.624 14.291 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.158 -1.206 13.998 1.00 0.00 H new ATOM 218 N LEU A 17 -4.463 -4.341 10.255 1.00 0.00 N ATOM 219 CA LEU A 17 -4.406 -5.195 9.073 1.00 0.00 C ATOM 220 C LEU A 17 -4.697 -6.648 9.437 1.00 0.00 C ATOM 221 O LEU A 17 -4.430 -7.100 10.551 1.00 0.00 O ATOM 222 CB LEU A 17 -3.032 -5.090 8.409 1.00 0.00 C ATOM 223 CG LEU A 17 -2.759 -3.800 7.634 1.00 0.00 C ATOM 224 CD1 LEU A 17 -1.263 -3.556 7.514 1.00 0.00 C ATOM 225 CD2 LEU A 17 -3.404 -3.859 6.257 1.00 0.00 C ATOM 0 H LEU A 17 -3.596 -4.306 10.792 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.168 -4.855 8.372 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.269 -5.196 9.180 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.915 -5.932 7.727 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.199 -2.968 8.184 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.088 -2.634 6.960 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.828 -3.469 8.509 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.799 -4.390 6.987 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.200 -2.933 5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.994 -4.701 5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.481 -3.986 6.365 1.00 0.00 H new ATOM 237 N PRO A 18 -5.257 -7.398 8.476 1.00 0.00 N ATOM 238 CA PRO A 18 -5.594 -8.811 8.671 1.00 0.00 C ATOM 239 C PRO A 18 -4.354 -9.694 8.775 1.00 0.00 C ATOM 240 O PRO A 18 -3.882 -10.237 7.777 1.00 0.00 O ATOM 241 CB PRO A 18 -6.395 -9.161 7.415 1.00 0.00 C ATOM 242 CG PRO A 18 -5.927 -8.192 6.384 1.00 0.00 C ATOM 243 CD PRO A 18 -5.602 -6.924 7.125 1.00 0.00 C ATOM 0 HA PRO A 18 -6.139 -8.975 9.601 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.213 -10.189 7.103 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.467 -9.066 7.590 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.051 -8.573 5.859 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.698 -8.019 5.633 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.772 -6.390 6.662 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.451 -6.240 7.143 1.00 0.00 H new ATOM 251 N ALA A 19 -3.832 -9.832 9.989 1.00 0.00 N ATOM 252 CA ALA A 19 -2.649 -10.651 10.224 1.00 0.00 C ATOM 253 C ALA A 19 -2.802 -12.030 9.591 1.00 0.00 C ATOM 254 O ALA A 19 -1.873 -12.544 8.970 1.00 0.00 O ATOM 255 CB ALA A 19 -2.384 -10.779 11.716 1.00 0.00 C ATOM 0 H ALA A 19 -4.210 -9.387 10.826 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.797 -10.158 9.756 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.498 -11.393 11.877 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.222 -9.789 12.143 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.242 -11.247 12.199 1.00 0.00 H new ATOM 261 N ASN A 20 -3.980 -12.623 9.753 1.00 0.00 N ATOM 262 CA ASN A 20 -4.254 -13.944 9.199 1.00 0.00 C ATOM 263 C ASN A 20 -4.022 -13.959 7.691 1.00 0.00 C ATOM 264 O ASN A 20 -3.421 -14.889 7.153 1.00 0.00 O ATOM 265 CB ASN A 20 -5.692 -14.362 9.509 1.00 0.00 C ATOM 266 CG ASN A 20 -5.916 -14.611 10.988 1.00 0.00 C ATOM 267 OD1 ASN A 20 -5.125 -14.180 11.828 1.00 0.00 O ATOM 268 ND2 ASN A 20 -6.997 -15.310 11.314 1.00 0.00 N ATOM 0 H ASN A 20 -4.760 -12.210 10.263 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.569 -14.654 9.662 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.375 -13.585 9.167 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.933 -15.267 8.951 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.199 -15.509 12.294 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.625 -15.648 10.585 1.00 0.00 H new ATOM 275 N LYS A 21 -4.502 -12.922 7.013 1.00 0.00 N ATOM 276 CA LYS A 21 -4.347 -12.813 5.568 1.00 0.00 C ATOM 277 C LYS A 21 -2.873 -12.745 5.183 1.00 0.00 C ATOM 278 O LYS A 21 -2.190 -11.762 5.473 1.00 0.00 O ATOM 279 CB LYS A 21 -5.079 -11.574 5.047 1.00 0.00 C ATOM 280 CG LYS A 21 -6.590 -11.663 5.173 1.00 0.00 C ATOM 281 CD LYS A 21 -7.210 -12.353 3.969 1.00 0.00 C ATOM 282 CE LYS A 21 -7.136 -13.867 4.095 1.00 0.00 C ATOM 283 NZ LYS A 21 -8.262 -14.538 3.387 1.00 0.00 N ATOM 0 H LYS A 21 -5.002 -12.144 7.442 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.783 -13.702 5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.728 -10.698 5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.818 -11.422 4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.849 -12.209 6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.007 -10.661 5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.251 -12.046 3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.695 -12.037 3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.189 -14.220 3.687 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.152 -14.145 5.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.176 -15.569 3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.165 -14.221 3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.232 -14.293 2.377 1.00 0.00 H new ATOM 297 N ASP A 22 -2.388 -13.793 4.526 1.00 0.00 N ATOM 298 CA ASP A 22 -0.995 -13.851 4.099 1.00 0.00 C ATOM 299 C ASP A 22 -0.541 -12.505 3.542 1.00 0.00 C ATOM 300 O ASP A 22 -1.126 -11.985 2.593 1.00 0.00 O ATOM 301 CB ASP A 22 -0.808 -14.942 3.044 1.00 0.00 C ATOM 302 CG ASP A 22 -0.825 -16.335 3.642 1.00 0.00 C ATOM 303 OD1 ASP A 22 0.064 -16.637 4.466 1.00 0.00 O ATOM 304 OD2 ASP A 22 -1.726 -17.123 3.287 1.00 0.00 O ATOM 0 H ASP A 22 -2.939 -14.614 4.277 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.383 -14.089 4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.598 -14.861 2.298 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.138 -14.784 2.526 1.00 0.00 H new ATOM 309 N GLY A 23 0.505 -11.945 4.141 1.00 0.00 N ATOM 310 CA GLY A 23 1.019 -10.664 3.693 1.00 0.00 C ATOM 311 C GLY A 23 0.949 -10.506 2.187 1.00 0.00 C ATOM 312 O GLY A 23 0.498 -9.477 1.683 1.00 0.00 O ATOM 0 H GLY A 23 1.006 -12.356 4.929 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.451 -9.863 4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.054 -10.557 4.019 1.00 0.00 H new ATOM 316 N LYS A 24 1.397 -11.528 1.465 1.00 0.00 N ATOM 317 CA LYS A 24 1.385 -11.499 0.008 1.00 0.00 C ATOM 318 C LYS A 24 0.065 -10.942 -0.514 1.00 0.00 C ATOM 319 O LYS A 24 0.049 -10.025 -1.335 1.00 0.00 O ATOM 320 CB LYS A 24 1.614 -12.905 -0.552 1.00 0.00 C ATOM 321 CG LYS A 24 2.978 -13.480 -0.213 1.00 0.00 C ATOM 322 CD LYS A 24 2.975 -14.998 -0.278 1.00 0.00 C ATOM 323 CE LYS A 24 2.305 -15.607 0.945 1.00 0.00 C ATOM 324 NZ LYS A 24 2.574 -17.068 1.055 1.00 0.00 N ATOM 0 H LYS A 24 1.773 -12.387 1.866 1.00 0.00 H new ATOM 0 HA LYS A 24 2.192 -10.846 -0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.842 -13.571 -0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.499 -12.879 -1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.722 -13.087 -0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.271 -13.158 0.786 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.455 -15.324 -1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.000 -15.362 -0.352 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.662 -15.103 1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.229 -15.439 0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.101 -17.445 1.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.211 -17.552 0.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.599 -17.227 1.132 1.00 0.00 H new ATOM 338 N SER A 25 -1.041 -11.501 -0.032 1.00 0.00 N ATOM 339 CA SER A 25 -2.366 -11.061 -0.452 1.00 0.00 C ATOM 340 C SER A 25 -2.654 -9.650 0.052 1.00 0.00 C ATOM 341 O SER A 25 -3.059 -8.775 -0.715 1.00 0.00 O ATOM 342 CB SER A 25 -3.434 -12.027 0.063 1.00 0.00 C ATOM 343 OG SER A 25 -4.685 -11.782 -0.558 1.00 0.00 O ATOM 0 H SER A 25 -1.045 -12.260 0.650 1.00 0.00 H new ATOM 0 HA SER A 25 -2.391 -11.051 -1.542 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.124 -13.054 -0.130 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.534 -11.922 1.143 1.00 0.00 H new ATOM 0 HG SER A 25 -5.183 -11.117 -0.039 1.00 0.00 H new ATOM 349 N VAL A 26 -2.444 -9.436 1.347 1.00 0.00 N ATOM 350 CA VAL A 26 -2.680 -8.132 1.954 1.00 0.00 C ATOM 351 C VAL A 26 -2.075 -7.015 1.111 1.00 0.00 C ATOM 352 O VAL A 26 -2.792 -6.172 0.572 1.00 0.00 O ATOM 353 CB VAL A 26 -2.094 -8.061 3.377 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.511 -6.769 4.063 1.00 0.00 C ATOM 355 CG2 VAL A 26 -2.527 -9.271 4.192 1.00 0.00 C ATOM 0 H VAL A 26 -2.111 -10.149 1.996 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.761 -7.999 2.007 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.006 -8.070 3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.088 -6.737 5.067 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.146 -5.918 3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.598 -6.725 4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.104 -9.205 5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.615 -9.295 4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.173 -10.181 3.708 1.00 0.00 H new ATOM 365 N SER A 27 -0.750 -7.015 1.002 1.00 0.00 N ATOM 366 CA SER A 27 -0.047 -5.999 0.227 1.00 0.00 C ATOM 367 C SER A 27 -0.771 -5.722 -1.087 1.00 0.00 C ATOM 368 O SER A 27 -1.320 -4.640 -1.290 1.00 0.00 O ATOM 369 CB SER A 27 1.389 -6.444 -0.053 1.00 0.00 C ATOM 370 OG SER A 27 2.180 -5.360 -0.509 1.00 0.00 O ATOM 0 H SER A 27 -0.142 -7.707 1.440 1.00 0.00 H new ATOM 0 HA SER A 27 -0.027 -5.080 0.812 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.827 -6.861 0.854 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.388 -7.237 -0.801 1.00 0.00 H new ATOM 0 HG SER A 27 3.094 -5.671 -0.679 1.00 0.00 H new ATOM 376 N ASN A 28 -0.766 -6.708 -1.978 1.00 0.00 N ATOM 377 CA ASN A 28 -1.421 -6.571 -3.274 1.00 0.00 C ATOM 378 C ASN A 28 -2.693 -5.738 -3.155 1.00 0.00 C ATOM 379 O ASN A 28 -2.855 -4.731 -3.845 1.00 0.00 O ATOM 380 CB ASN A 28 -1.753 -7.949 -3.849 1.00 0.00 C ATOM 381 CG ASN A 28 -2.118 -7.890 -5.320 1.00 0.00 C ATOM 382 OD1 ASN A 28 -1.366 -8.355 -6.177 1.00 0.00 O ATOM 383 ND2 ASN A 28 -3.276 -7.314 -5.619 1.00 0.00 N ATOM 0 H ASN A 28 -0.316 -7.611 -1.826 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.734 -6.059 -3.948 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.897 -8.611 -3.716 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.581 -8.383 -3.289 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.574 -7.243 -6.592 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.868 -6.942 -4.876 1.00 0.00 H new ATOM 390 N ARG A 29 -3.593 -6.163 -2.275 1.00 0.00 N ATOM 391 CA ARG A 29 -4.851 -5.457 -2.065 1.00 0.00 C ATOM 392 C ARG A 29 -4.608 -3.965 -1.854 1.00 0.00 C ATOM 393 O ARG A 29 -5.321 -3.125 -2.406 1.00 0.00 O ATOM 394 CB ARG A 29 -5.593 -6.039 -0.861 1.00 0.00 C ATOM 395 CG ARG A 29 -6.785 -5.206 -0.419 1.00 0.00 C ATOM 396 CD ARG A 29 -7.883 -5.201 -1.471 1.00 0.00 C ATOM 397 NE ARG A 29 -8.742 -6.378 -1.371 1.00 0.00 N ATOM 398 CZ ARG A 29 -9.909 -6.491 -1.995 1.00 0.00 C ATOM 399 NH1 ARG A 29 -10.353 -5.504 -2.762 1.00 0.00 N ATOM 400 NH2 ARG A 29 -10.635 -7.593 -1.854 1.00 0.00 N ATOM 0 H ARG A 29 -3.474 -6.994 -1.695 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.464 -5.586 -2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.934 -7.045 -1.107 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.897 -6.133 -0.027 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.179 -5.601 0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.463 -4.183 -0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.487 -4.301 -1.360 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.434 -5.163 -2.464 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.429 -7.156 -0.790 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.798 -4.656 -2.874 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.250 -5.593 -3.240 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.297 -8.355 -1.266 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.531 -7.678 -2.334 1.00 0.00 H new ATOM 414 N LEU A 30 -3.599 -3.643 -1.053 1.00 0.00 N ATOM 415 CA LEU A 30 -3.262 -2.253 -0.767 1.00 0.00 C ATOM 416 C LEU A 30 -2.647 -1.580 -1.990 1.00 0.00 C ATOM 417 O LEU A 30 -3.001 -0.452 -2.335 1.00 0.00 O ATOM 418 CB LEU A 30 -2.294 -2.174 0.414 1.00 0.00 C ATOM 419 CG LEU A 30 -2.883 -2.497 1.787 1.00 0.00 C ATOM 420 CD1 LEU A 30 -2.877 -3.998 2.031 1.00 0.00 C ATOM 421 CD2 LEU A 30 -2.111 -1.774 2.882 1.00 0.00 C ATOM 0 H LEU A 30 -2.999 -4.326 -0.590 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.182 -1.728 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.466 -2.858 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.875 -1.168 0.448 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.916 -2.150 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.300 -4.209 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.474 -4.494 1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.853 -4.369 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.544 -2.016 3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.068 -2.090 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.167 -0.698 2.717 1.00 0.00 H new ATOM 433 N ARG A 31 -1.725 -2.280 -2.643 1.00 0.00 N ATOM 434 CA ARG A 31 -1.061 -1.751 -3.828 1.00 0.00 C ATOM 435 C ARG A 31 -2.054 -1.016 -4.725 1.00 0.00 C ATOM 436 O ARG A 31 -1.803 0.111 -5.153 1.00 0.00 O ATOM 437 CB ARG A 31 -0.391 -2.881 -4.611 1.00 0.00 C ATOM 438 CG ARG A 31 0.920 -3.351 -4.001 1.00 0.00 C ATOM 439 CD ARG A 31 1.596 -4.398 -4.871 1.00 0.00 C ATOM 440 NE ARG A 31 1.918 -3.883 -6.199 1.00 0.00 N ATOM 441 CZ ARG A 31 1.057 -3.869 -7.211 1.00 0.00 C ATOM 442 NH1 ARG A 31 -0.171 -4.340 -7.047 1.00 0.00 N ATOM 443 NH2 ARG A 31 1.424 -3.383 -8.389 1.00 0.00 N ATOM 0 H ARG A 31 -1.421 -3.215 -2.371 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.299 -1.043 -3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.077 -3.726 -4.672 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.207 -2.545 -5.632 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.587 -2.499 -3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.734 -3.765 -3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.509 -4.739 -4.384 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.943 -5.265 -4.967 1.00 0.00 H new ATOM 0 HE ARG A 31 2.855 -3.514 -6.359 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.457 -4.714 -6.142 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.830 -4.328 -7.825 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.368 -3.019 -8.519 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.762 -3.373 -9.165 1.00 0.00 H new ATOM 457 N ARG A 32 -3.181 -1.662 -5.005 1.00 0.00 N ATOM 458 CA ARG A 32 -4.210 -1.071 -5.852 1.00 0.00 C ATOM 459 C ARG A 32 -4.719 0.238 -5.256 1.00 0.00 C ATOM 460 O ARG A 32 -4.844 1.244 -5.955 1.00 0.00 O ATOM 461 CB ARG A 32 -5.373 -2.047 -6.034 1.00 0.00 C ATOM 462 CG ARG A 32 -5.215 -2.966 -7.235 1.00 0.00 C ATOM 463 CD ARG A 32 -5.830 -2.357 -8.486 1.00 0.00 C ATOM 464 NE ARG A 32 -4.976 -1.326 -9.070 1.00 0.00 N ATOM 465 CZ ARG A 32 -5.354 -0.539 -10.071 1.00 0.00 C ATOM 466 NH1 ARG A 32 -6.565 -0.663 -10.596 1.00 0.00 N ATOM 467 NH2 ARG A 32 -4.520 0.376 -10.548 1.00 0.00 N ATOM 0 H ARG A 32 -3.405 -2.595 -4.658 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.767 -0.859 -6.825 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.472 -2.653 -5.134 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.298 -1.481 -6.140 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.157 -3.163 -7.407 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.688 -3.925 -7.025 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.006 -3.141 -9.222 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.801 -1.927 -8.240 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.038 -1.204 -8.688 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.210 -1.364 -10.231 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.852 -0.057 -11.365 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.588 0.475 -10.146 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.811 0.980 -11.317 1.00 0.00 H new ATOM 481 N LEU A 33 -5.011 0.217 -3.960 1.00 0.00 N ATOM 482 CA LEU A 33 -5.507 1.402 -3.269 1.00 0.00 C ATOM 483 C LEU A 33 -4.471 2.521 -3.293 1.00 0.00 C ATOM 484 O LEU A 33 -4.811 3.698 -3.177 1.00 0.00 O ATOM 485 CB LEU A 33 -5.870 1.059 -1.823 1.00 0.00 C ATOM 486 CG LEU A 33 -7.120 0.199 -1.630 1.00 0.00 C ATOM 487 CD1 LEU A 33 -7.010 -0.624 -0.356 1.00 0.00 C ATOM 488 CD2 LEU A 33 -8.367 1.071 -1.599 1.00 0.00 C ATOM 0 H LEU A 33 -4.913 -0.607 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.400 1.748 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.024 0.542 -1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.006 1.990 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.201 -0.486 -2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.908 -1.229 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.139 -1.276 -0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.904 0.043 0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.247 0.443 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.295 1.780 -0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.454 1.615 -2.539 1.00 0.00 H new ATOM 500 N SER A 34 -3.205 2.145 -3.446 1.00 0.00 N ATOM 501 CA SER A 34 -2.118 3.116 -3.485 1.00 0.00 C ATOM 502 C SER A 34 -1.816 3.536 -4.920 1.00 0.00 C ATOM 503 O SER A 34 -1.328 4.640 -5.165 1.00 0.00 O ATOM 504 CB SER A 34 -0.862 2.533 -2.836 1.00 0.00 C ATOM 505 OG SER A 34 0.179 3.494 -2.785 1.00 0.00 O ATOM 0 H SER A 34 -2.907 1.175 -3.545 1.00 0.00 H new ATOM 0 HA SER A 34 -2.431 3.998 -2.926 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.095 2.191 -1.828 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.529 1.661 -3.399 1.00 0.00 H new ATOM 0 HG SER A 34 -0.085 4.231 -2.196 1.00 0.00 H new ATOM 511 N ASP A 35 -2.109 2.649 -5.864 1.00 0.00 N ATOM 512 CA ASP A 35 -1.870 2.927 -7.275 1.00 0.00 C ATOM 513 C ASP A 35 -2.782 4.044 -7.771 1.00 0.00 C ATOM 514 O ASP A 35 -2.401 4.832 -8.636 1.00 0.00 O ATOM 515 CB ASP A 35 -2.089 1.664 -8.110 1.00 0.00 C ATOM 516 CG ASP A 35 -1.240 1.645 -9.365 1.00 0.00 C ATOM 517 OD1 ASP A 35 -1.249 2.652 -10.103 1.00 0.00 O ATOM 518 OD2 ASP A 35 -0.567 0.621 -9.611 1.00 0.00 O ATOM 0 H ASP A 35 -2.513 1.731 -5.678 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.835 3.251 -7.386 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.857 0.787 -7.505 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.141 1.592 -8.386 1.00 0.00 H new ATOM 523 N ASN A 36 -3.989 4.106 -7.218 1.00 0.00 N ATOM 524 CA ASN A 36 -4.956 5.126 -7.606 1.00 0.00 C ATOM 525 C ASN A 36 -4.688 6.436 -6.872 1.00 0.00 C ATOM 526 O ASN A 36 -4.981 7.518 -7.384 1.00 0.00 O ATOM 527 CB ASN A 36 -6.379 4.646 -7.313 1.00 0.00 C ATOM 528 CG ASN A 36 -7.430 5.508 -7.986 1.00 0.00 C ATOM 529 OD1 ASN A 36 -7.425 6.732 -7.850 1.00 0.00 O ATOM 530 ND2 ASN A 36 -8.337 4.872 -8.717 1.00 0.00 N ATOM 0 H ASN A 36 -4.321 3.462 -6.500 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.852 5.302 -8.677 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.488 3.615 -7.650 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.546 4.649 -6.236 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.068 5.399 -9.194 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.303 3.856 -8.802 1.00 0.00 H new ATOM 537 N CYS A 37 -4.130 6.332 -5.671 1.00 0.00 N ATOM 538 CA CYS A 37 -3.822 7.509 -4.866 1.00 0.00 C ATOM 539 C CYS A 37 -2.361 7.913 -5.030 1.00 0.00 C ATOM 540 O CYS A 37 -1.771 8.524 -4.140 1.00 0.00 O ATOM 541 CB CYS A 37 -4.126 7.238 -3.392 1.00 0.00 C ATOM 542 SG CYS A 37 -5.804 6.640 -3.082 1.00 0.00 S ATOM 0 H CYS A 37 -3.882 5.445 -5.233 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.448 8.330 -5.214 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.415 6.504 -3.014 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.968 8.155 -2.825 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.803 5.340 -3.050 1.00 0.00 H new ATOM 548 N GLY A 38 -1.781 7.566 -6.176 1.00 0.00 N ATOM 549 CA GLY A 38 -0.393 7.899 -6.435 1.00 0.00 C ATOM 550 C GLY A 38 0.506 7.601 -5.252 1.00 0.00 C ATOM 551 O GLY A 38 0.954 8.513 -4.558 1.00 0.00 O ATOM 0 H GLY A 38 -2.248 7.060 -6.929 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.044 7.339 -7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.317 8.957 -6.687 1.00 0.00 H new ATOM 555 N GLY A 39 0.770 6.319 -5.018 1.00 0.00 N ATOM 556 CA GLY A 39 1.618 5.926 -3.908 1.00 0.00 C ATOM 557 C GLY A 39 2.252 4.565 -4.117 1.00 0.00 C ATOM 558 O GLY A 39 2.013 3.909 -5.131 1.00 0.00 O ATOM 0 H GLY A 39 0.411 5.545 -5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.402 6.671 -3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.028 5.912 -2.991 1.00 0.00 H new ATOM 562 N LYS A 40 3.066 4.140 -3.157 1.00 0.00 N ATOM 563 CA LYS A 40 3.738 2.848 -3.239 1.00 0.00 C ATOM 564 C LYS A 40 3.956 2.259 -1.849 1.00 0.00 C ATOM 565 O LYS A 40 4.537 2.903 -0.975 1.00 0.00 O ATOM 566 CB LYS A 40 5.080 2.994 -3.959 1.00 0.00 C ATOM 567 CG LYS A 40 5.825 1.681 -4.129 1.00 0.00 C ATOM 568 CD LYS A 40 6.717 1.387 -2.934 1.00 0.00 C ATOM 569 CE LYS A 40 8.086 2.031 -3.089 1.00 0.00 C ATOM 570 NZ LYS A 40 8.942 1.289 -4.056 1.00 0.00 N ATOM 0 H LYS A 40 3.277 4.672 -2.312 1.00 0.00 H new ATOM 0 HA LYS A 40 3.100 2.170 -3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.910 3.435 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.708 3.689 -3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.109 0.869 -4.258 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.430 1.719 -5.035 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.242 1.755 -2.025 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.832 0.309 -2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.967 3.061 -3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.582 2.068 -2.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.922 1.630 -3.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.912 0.273 -3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.590 1.446 -5.022 1.00 0.00 H new ATOM 584 N VAL A 41 3.489 1.031 -1.651 1.00 0.00 N ATOM 585 CA VAL A 41 3.635 0.354 -0.368 1.00 0.00 C ATOM 586 C VAL A 41 5.094 0.008 -0.093 1.00 0.00 C ATOM 587 O VAL A 41 5.608 -0.999 -0.584 1.00 0.00 O ATOM 588 CB VAL A 41 2.794 -0.935 -0.314 1.00 0.00 C ATOM 589 CG1 VAL A 41 2.966 -1.739 -1.594 1.00 0.00 C ATOM 590 CG2 VAL A 41 3.171 -1.767 0.902 1.00 0.00 C ATOM 0 H VAL A 41 3.006 0.484 -2.363 1.00 0.00 H new ATOM 0 HA VAL A 41 3.277 1.044 0.396 1.00 0.00 H new ATOM 0 HB VAL A 41 1.743 -0.659 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.364 -2.646 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.642 -1.141 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.015 -2.007 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.567 -2.674 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.226 -2.035 0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.991 -1.189 1.808 1.00 0.00 H new ATOM 600 N LEU A 42 5.757 0.847 0.695 1.00 0.00 N ATOM 601 CA LEU A 42 7.158 0.630 1.037 1.00 0.00 C ATOM 602 C LEU A 42 7.356 -0.738 1.683 1.00 0.00 C ATOM 603 O LEU A 42 8.176 -1.536 1.232 1.00 0.00 O ATOM 604 CB LEU A 42 7.650 1.728 1.981 1.00 0.00 C ATOM 605 CG LEU A 42 7.616 3.153 1.428 1.00 0.00 C ATOM 606 CD1 LEU A 42 8.525 4.063 2.240 1.00 0.00 C ATOM 607 CD2 LEU A 42 8.019 3.165 -0.040 1.00 0.00 C ATOM 0 H LEU A 42 5.347 1.684 1.109 1.00 0.00 H new ATOM 0 HA LEU A 42 7.740 0.664 0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.046 1.697 2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.675 1.497 2.272 1.00 0.00 H new ATOM 0 HG LEU A 42 6.596 3.529 1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.488 5.073 1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.191 4.079 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.548 3.690 2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.989 4.187 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.029 2.769 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.327 2.547 -0.612 1.00 0.00 H new ATOM 619 N SER A 43 6.596 -1.002 2.742 1.00 0.00 N ATOM 620 CA SER A 43 6.688 -2.272 3.451 1.00 0.00 C ATOM 621 C SER A 43 5.449 -2.506 4.310 1.00 0.00 C ATOM 622 O SER A 43 4.630 -1.605 4.495 1.00 0.00 O ATOM 623 CB SER A 43 7.942 -2.301 4.327 1.00 0.00 C ATOM 624 OG SER A 43 9.110 -2.457 3.540 1.00 0.00 O ATOM 0 H SER A 43 5.910 -0.353 3.127 1.00 0.00 H new ATOM 0 HA SER A 43 6.751 -3.069 2.711 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.008 -1.378 4.903 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.870 -3.119 5.043 1.00 0.00 H new ATOM 0 HG SER A 43 8.866 -2.466 2.591 1.00 0.00 H new ATOM 630 N ILE A 44 5.319 -3.721 4.832 1.00 0.00 N ATOM 631 CA ILE A 44 4.181 -4.073 5.672 1.00 0.00 C ATOM 632 C ILE A 44 4.623 -4.890 6.882 1.00 0.00 C ATOM 633 O ILE A 44 4.937 -6.075 6.764 1.00 0.00 O ATOM 634 CB ILE A 44 3.126 -4.873 4.884 1.00 0.00 C ATOM 635 CG1 ILE A 44 2.515 -4.005 3.783 1.00 0.00 C ATOM 636 CG2 ILE A 44 2.044 -5.388 5.821 1.00 0.00 C ATOM 637 CD1 ILE A 44 2.067 -4.792 2.571 1.00 0.00 C ATOM 0 H ILE A 44 5.987 -4.478 4.688 1.00 0.00 H new ATOM 0 HA ILE A 44 3.737 -3.137 6.011 1.00 0.00 H new ATOM 0 HB ILE A 44 3.614 -5.729 4.418 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.661 -3.464 4.190 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.246 -3.259 3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.306 -5.951 5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.493 -6.037 6.573 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.557 -4.546 6.312 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.644 -4.112 1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.922 -5.312 2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.312 -5.520 2.868 1.00 0.00 H new ATOM 649 N THR A 45 4.643 -4.249 8.046 1.00 0.00 N ATOM 650 CA THR A 45 5.046 -4.916 9.278 1.00 0.00 C ATOM 651 C THR A 45 3.841 -5.203 10.167 1.00 0.00 C ATOM 652 O THR A 45 2.946 -4.370 10.305 1.00 0.00 O ATOM 653 CB THR A 45 6.062 -4.070 10.069 1.00 0.00 C ATOM 654 OG1 THR A 45 5.390 -3.001 10.744 1.00 0.00 O ATOM 655 CG2 THR A 45 7.128 -3.501 9.144 1.00 0.00 C ATOM 0 H THR A 45 4.385 -3.269 8.162 1.00 0.00 H new ATOM 0 HA THR A 45 5.514 -5.857 8.989 1.00 0.00 H new ATOM 0 HB THR A 45 6.546 -4.715 10.803 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.043 -2.469 11.246 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.834 -2.907 9.724 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.658 -4.318 8.653 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.657 -2.870 8.391 1.00 0.00 H new ATOM 663 N GLY A 46 3.824 -6.388 10.769 1.00 0.00 N ATOM 664 CA GLY A 46 2.724 -6.764 11.637 1.00 0.00 C ATOM 665 C GLY A 46 1.380 -6.314 11.099 1.00 0.00 C ATOM 666 O GLY A 46 1.125 -6.401 9.897 1.00 0.00 O ATOM 0 H GLY A 46 4.553 -7.095 10.671 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.718 -7.847 11.762 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.880 -6.330 12.625 1.00 0.00 H new ATOM 670 N CYS A 47 0.520 -5.832 11.988 1.00 0.00 N ATOM 671 CA CYS A 47 -0.807 -5.368 11.596 1.00 0.00 C ATOM 672 C CYS A 47 -0.755 -3.926 11.104 1.00 0.00 C ATOM 673 O CYS A 47 -1.758 -3.214 11.130 1.00 0.00 O ATOM 674 CB CYS A 47 -1.779 -5.484 12.771 1.00 0.00 C ATOM 675 SG CYS A 47 -1.109 -4.894 14.344 1.00 0.00 S ATOM 0 H CYS A 47 0.717 -5.752 12.986 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.159 -5.999 10.780 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.682 -4.920 12.539 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.075 -6.527 12.883 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.823 -3.630 14.247 1.00 0.00 H new ATOM 681 N SER A 48 0.423 -3.500 10.657 1.00 0.00 N ATOM 682 CA SER A 48 0.607 -2.141 10.163 1.00 0.00 C ATOM 683 C SER A 48 1.353 -2.142 8.833 1.00 0.00 C ATOM 684 O SER A 48 1.935 -3.151 8.436 1.00 0.00 O ATOM 685 CB SER A 48 1.373 -1.303 11.189 1.00 0.00 C ATOM 686 OG SER A 48 2.623 -1.894 11.500 1.00 0.00 O ATOM 0 H SER A 48 1.264 -4.077 10.627 1.00 0.00 H new ATOM 0 HA SER A 48 -0.378 -1.701 10.006 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.530 -0.298 10.798 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.779 -1.202 12.097 1.00 0.00 H new ATOM 0 HG SER A 48 2.698 -2.759 11.045 1.00 0.00 H new ATOM 692 N ALA A 49 1.331 -1.003 8.148 1.00 0.00 N ATOM 693 CA ALA A 49 2.006 -0.871 6.863 1.00 0.00 C ATOM 694 C ALA A 49 2.465 0.564 6.629 1.00 0.00 C ATOM 695 O ALA A 49 1.992 1.492 7.286 1.00 0.00 O ATOM 696 CB ALA A 49 1.089 -1.324 5.736 1.00 0.00 C ATOM 0 H ALA A 49 0.853 -0.158 8.462 1.00 0.00 H new ATOM 0 HA ALA A 49 2.889 -1.510 6.877 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.606 -1.220 4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.814 -2.368 5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.189 -0.709 5.730 1.00 0.00 H new ATOM 702 N ILE A 50 3.389 0.739 5.690 1.00 0.00 N ATOM 703 CA ILE A 50 3.911 2.062 5.370 1.00 0.00 C ATOM 704 C ILE A 50 3.927 2.297 3.864 1.00 0.00 C ATOM 705 O ILE A 50 4.491 1.507 3.106 1.00 0.00 O ATOM 706 CB ILE A 50 5.336 2.253 5.923 1.00 0.00 C ATOM 707 CG1 ILE A 50 5.330 2.171 7.451 1.00 0.00 C ATOM 708 CG2 ILE A 50 5.909 3.585 5.461 1.00 0.00 C ATOM 709 CD1 ILE A 50 6.710 2.035 8.054 1.00 0.00 C ATOM 0 H ILE A 50 3.791 -0.018 5.138 1.00 0.00 H new ATOM 0 HA ILE A 50 3.246 2.786 5.841 1.00 0.00 H new ATOM 0 HB ILE A 50 5.969 1.454 5.538 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.853 3.065 7.853 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.722 1.320 7.759 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.916 3.706 5.860 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.945 3.608 4.372 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.277 4.397 5.820 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.629 1.983 9.140 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.182 1.126 7.681 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.315 2.898 7.777 1.00 0.00 H new ATOM 721 N LEU A 51 3.305 3.390 3.435 1.00 0.00 N ATOM 722 CA LEU A 51 3.248 3.732 2.018 1.00 0.00 C ATOM 723 C LEU A 51 4.046 5.000 1.731 1.00 0.00 C ATOM 724 O LEU A 51 4.326 5.787 2.635 1.00 0.00 O ATOM 725 CB LEU A 51 1.795 3.920 1.576 1.00 0.00 C ATOM 726 CG LEU A 51 0.968 2.642 1.431 1.00 0.00 C ATOM 727 CD1 LEU A 51 0.273 2.305 2.742 1.00 0.00 C ATOM 728 CD2 LEU A 51 -0.050 2.790 0.309 1.00 0.00 C ATOM 0 H LEU A 51 2.833 4.055 4.048 1.00 0.00 H new ATOM 0 HA LEU A 51 3.690 2.911 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.298 4.571 2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.792 4.442 0.619 1.00 0.00 H new ATOM 0 HG LEU A 51 1.641 1.823 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.311 1.393 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.020 2.156 3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.388 3.124 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.630 1.871 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.719 3.621 0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.469 2.984 -0.630 1.00 0.00 H new ATOM 740 N ARG A 52 4.409 5.191 0.467 1.00 0.00 N ATOM 741 CA ARG A 52 5.174 6.364 0.061 1.00 0.00 C ATOM 742 C ARG A 52 4.448 7.133 -1.039 1.00 0.00 C ATOM 743 O ARG A 52 4.104 6.572 -2.080 1.00 0.00 O ATOM 744 CB ARG A 52 6.564 5.949 -0.425 1.00 0.00 C ATOM 745 CG ARG A 52 7.266 7.017 -1.247 1.00 0.00 C ATOM 746 CD ARG A 52 8.774 6.968 -1.053 1.00 0.00 C ATOM 747 NE ARG A 52 9.418 6.063 -2.001 1.00 0.00 N ATOM 748 CZ ARG A 52 10.677 5.656 -1.889 1.00 0.00 C ATOM 749 NH1 ARG A 52 11.424 6.071 -0.875 1.00 0.00 N ATOM 750 NH2 ARG A 52 11.192 4.831 -2.792 1.00 0.00 N ATOM 0 H ARG A 52 4.186 4.549 -0.293 1.00 0.00 H new ATOM 0 HA ARG A 52 5.279 7.016 0.928 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.182 5.702 0.438 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.475 5.042 -1.023 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.029 6.880 -2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.893 8.001 -0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.187 7.970 -1.170 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.999 6.647 -0.036 1.00 0.00 H new ATOM 0 HE ARG A 52 8.871 5.725 -2.793 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.032 6.705 -0.178 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.391 5.757 -0.792 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.621 4.509 -3.573 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.159 4.519 -2.705 1.00 0.00 H new ATOM 764 N PHE A 53 4.217 8.419 -0.801 1.00 0.00 N ATOM 765 CA PHE A 53 3.530 9.265 -1.770 1.00 0.00 C ATOM 766 C PHE A 53 4.417 10.431 -2.200 1.00 0.00 C ATOM 767 O PHE A 53 5.336 10.823 -1.480 1.00 0.00 O ATOM 768 CB PHE A 53 2.222 9.796 -1.180 1.00 0.00 C ATOM 769 CG PHE A 53 1.249 8.713 -0.811 1.00 0.00 C ATOM 770 CD1 PHE A 53 1.428 7.966 0.343 1.00 0.00 C ATOM 771 CD2 PHE A 53 0.156 8.441 -1.618 1.00 0.00 C ATOM 772 CE1 PHE A 53 0.534 6.969 0.685 1.00 0.00 C ATOM 773 CE2 PHE A 53 -0.742 7.446 -1.280 1.00 0.00 C ATOM 774 CZ PHE A 53 -0.552 6.708 -0.127 1.00 0.00 C ATOM 0 H PHE A 53 4.495 8.899 0.055 1.00 0.00 H new ATOM 0 HA PHE A 53 3.305 8.659 -2.648 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.447 10.389 -0.294 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.753 10.465 -1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.276 8.165 0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 53 0.004 9.013 -2.521 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.685 6.394 1.587 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.591 7.245 -1.916 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.251 5.929 0.138 1.00 0.00 H new ATOM 784 N ILE A 54 4.134 10.979 -3.376 1.00 0.00 N ATOM 785 CA ILE A 54 4.905 12.099 -3.902 1.00 0.00 C ATOM 786 C ILE A 54 4.711 13.348 -3.048 1.00 0.00 C ATOM 787 O ILE A 54 5.676 14.012 -2.674 1.00 0.00 O ATOM 788 CB ILE A 54 4.513 12.419 -5.356 1.00 0.00 C ATOM 789 CG1 ILE A 54 5.312 13.619 -5.870 1.00 0.00 C ATOM 790 CG2 ILE A 54 3.019 12.689 -5.456 1.00 0.00 C ATOM 791 CD1 ILE A 54 5.574 13.577 -7.359 1.00 0.00 C ATOM 0 H ILE A 54 3.377 10.666 -3.983 1.00 0.00 H new ATOM 0 HA ILE A 54 5.953 11.802 -3.875 1.00 0.00 H new ATOM 0 HB ILE A 54 4.748 11.555 -5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.772 14.535 -5.630 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.265 13.664 -5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.758 12.914 -6.490 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.467 11.809 -5.126 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.760 13.538 -4.824 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.145 14.458 -7.653 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.141 12.679 -7.603 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.625 13.564 -7.895 1.00 0.00 H new ATOM 803 N ASN A 55 3.456 13.660 -2.743 1.00 0.00 N ATOM 804 CA ASN A 55 3.134 14.829 -1.932 1.00 0.00 C ATOM 805 C ASN A 55 1.994 14.524 -0.966 1.00 0.00 C ATOM 806 O ASN A 55 1.410 13.441 -1.002 1.00 0.00 O ATOM 807 CB ASN A 55 2.757 16.009 -2.828 1.00 0.00 C ATOM 808 CG ASN A 55 1.682 15.649 -3.836 1.00 0.00 C ATOM 809 OD1 ASN A 55 0.647 15.084 -3.481 1.00 0.00 O ATOM 810 ND2 ASN A 55 1.923 15.976 -5.100 1.00 0.00 N ATOM 0 H ASN A 55 2.645 13.120 -3.045 1.00 0.00 H new ATOM 0 HA ASN A 55 4.018 15.091 -1.351 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.408 16.835 -2.209 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.644 16.359 -3.356 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.236 15.760 -5.823 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.795 16.444 -5.348 1.00 0.00 H new ATOM 817 N GLN A 56 1.682 15.486 -0.104 1.00 0.00 N ATOM 818 CA GLN A 56 0.611 15.320 0.871 1.00 0.00 C ATOM 819 C GLN A 56 -0.698 14.943 0.184 1.00 0.00 C ATOM 820 O GLN A 56 -1.235 13.857 0.405 1.00 0.00 O ATOM 821 CB GLN A 56 0.424 16.606 1.679 1.00 0.00 C ATOM 822 CG GLN A 56 -0.807 16.590 2.572 1.00 0.00 C ATOM 823 CD GLN A 56 -0.655 17.481 3.789 1.00 0.00 C ATOM 824 OE1 GLN A 56 0.224 18.341 3.839 1.00 0.00 O ATOM 825 NE2 GLN A 56 -1.515 17.279 4.781 1.00 0.00 N ATOM 0 H GLN A 56 2.156 16.388 -0.061 1.00 0.00 H new ATOM 0 HA GLN A 56 0.892 14.512 1.546 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.308 16.770 2.296 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.354 17.450 0.992 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.674 16.913 1.996 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.003 15.568 2.896 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.228 16.555 4.698 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.462 17.848 5.626 1.00 0.00 H new ATOM 834 N ASP A 57 -1.205 15.845 -0.648 1.00 0.00 N ATOM 835 CA ASP A 57 -2.450 15.606 -1.369 1.00 0.00 C ATOM 836 C ASP A 57 -2.592 14.132 -1.734 1.00 0.00 C ATOM 837 O ASP A 57 -3.459 13.433 -1.209 1.00 0.00 O ATOM 838 CB ASP A 57 -2.506 16.465 -2.633 1.00 0.00 C ATOM 839 CG ASP A 57 -3.921 16.657 -3.141 1.00 0.00 C ATOM 840 OD1 ASP A 57 -4.595 15.642 -3.415 1.00 0.00 O ATOM 841 OD2 ASP A 57 -4.355 17.821 -3.264 1.00 0.00 O ATOM 0 H ASP A 57 -0.773 16.749 -0.840 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.278 15.881 -0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.062 17.439 -2.427 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.904 15.999 -3.413 1.00 0.00 H new ATOM 846 N SER A 58 -1.737 13.666 -2.638 1.00 0.00 N ATOM 847 CA SER A 58 -1.770 12.276 -3.077 1.00 0.00 C ATOM 848 C SER A 58 -1.913 11.333 -1.886 1.00 0.00 C ATOM 849 O SER A 58 -2.684 10.375 -1.927 1.00 0.00 O ATOM 850 CB SER A 58 -0.502 11.936 -3.862 1.00 0.00 C ATOM 851 OG SER A 58 -0.591 12.397 -5.199 1.00 0.00 O ATOM 0 H SER A 58 -1.012 14.231 -3.081 1.00 0.00 H new ATOM 0 HA SER A 58 -2.636 12.147 -3.726 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.363 12.387 -3.375 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.345 10.857 -3.856 1.00 0.00 H new ATOM 0 HG SER A 58 0.232 12.169 -5.679 1.00 0.00 H new ATOM 857 N ALA A 59 -1.162 11.612 -0.825 1.00 0.00 N ATOM 858 CA ALA A 59 -1.205 10.791 0.379 1.00 0.00 C ATOM 859 C ALA A 59 -2.578 10.858 1.039 1.00 0.00 C ATOM 860 O ALA A 59 -3.107 9.844 1.494 1.00 0.00 O ATOM 861 CB ALA A 59 -0.125 11.231 1.356 1.00 0.00 C ATOM 0 H ALA A 59 -0.517 12.400 -0.775 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.019 9.756 0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.168 10.610 2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.854 11.125 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.285 12.274 1.630 1.00 0.00 H new ATOM 867 N GLU A 60 -3.148 12.058 1.089 1.00 0.00 N ATOM 868 CA GLU A 60 -4.459 12.255 1.696 1.00 0.00 C ATOM 869 C GLU A 60 -5.486 11.299 1.096 1.00 0.00 C ATOM 870 O GLU A 60 -5.980 10.396 1.772 1.00 0.00 O ATOM 871 CB GLU A 60 -4.921 13.701 1.508 1.00 0.00 C ATOM 872 CG GLU A 60 -4.015 14.721 2.177 1.00 0.00 C ATOM 873 CD GLU A 60 -4.760 15.971 2.606 1.00 0.00 C ATOM 874 OE1 GLU A 60 -5.058 16.813 1.734 1.00 0.00 O ATOM 875 OE2 GLU A 60 -5.046 16.105 3.814 1.00 0.00 O ATOM 0 H GLU A 60 -2.723 12.907 0.717 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.372 12.045 2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.976 13.920 0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.930 13.806 1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.544 14.266 3.048 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.215 14.997 1.490 1.00 0.00 H new ATOM 882 N ARG A 61 -5.804 11.505 -0.178 1.00 0.00 N ATOM 883 CA ARG A 61 -6.773 10.664 -0.870 1.00 0.00 C ATOM 884 C ARG A 61 -6.664 9.215 -0.406 1.00 0.00 C ATOM 885 O ARG A 61 -7.673 8.533 -0.226 1.00 0.00 O ATOM 886 CB ARG A 61 -6.561 10.744 -2.383 1.00 0.00 C ATOM 887 CG ARG A 61 -6.586 12.162 -2.928 1.00 0.00 C ATOM 888 CD ARG A 61 -6.314 12.189 -4.424 1.00 0.00 C ATOM 889 NE ARG A 61 -7.002 13.294 -5.086 1.00 0.00 N ATOM 890 CZ ARG A 61 -7.171 13.373 -6.401 1.00 0.00 C ATOM 891 NH1 ARG A 61 -6.704 12.416 -7.191 1.00 0.00 N ATOM 892 NH2 ARG A 61 -7.808 14.410 -6.929 1.00 0.00 N ATOM 0 H ARG A 61 -5.404 12.247 -0.752 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.771 11.030 -0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.604 10.285 -2.632 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.334 10.159 -2.881 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.557 12.614 -2.726 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.840 12.765 -2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.241 12.275 -4.596 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.633 11.246 -4.867 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.373 14.047 -4.506 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.214 11.617 -6.789 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.835 12.479 -8.201 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.169 15.148 -6.325 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.937 14.469 -7.939 1.00 0.00 H new ATOM 906 N ALA A 62 -5.434 8.751 -0.213 1.00 0.00 N ATOM 907 CA ALA A 62 -5.193 7.384 0.231 1.00 0.00 C ATOM 908 C ALA A 62 -5.486 7.232 1.720 1.00 0.00 C ATOM 909 O ALA A 62 -6.077 6.240 2.147 1.00 0.00 O ATOM 910 CB ALA A 62 -3.760 6.975 -0.072 1.00 0.00 C ATOM 0 H ALA A 62 -4.588 9.302 -0.357 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.869 6.726 -0.315 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.595 5.952 0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.583 7.036 -1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.073 7.644 0.447 1.00 0.00 H new ATOM 916 N GLN A 63 -5.067 8.219 2.505 1.00 0.00 N ATOM 917 CA GLN A 63 -5.283 8.192 3.946 1.00 0.00 C ATOM 918 C GLN A 63 -6.772 8.209 4.274 1.00 0.00 C ATOM 919 O GLN A 63 -7.211 7.601 5.251 1.00 0.00 O ATOM 920 CB GLN A 63 -4.590 9.384 4.609 1.00 0.00 C ATOM 921 CG GLN A 63 -4.662 9.362 6.128 1.00 0.00 C ATOM 922 CD GLN A 63 -5.879 10.089 6.665 1.00 0.00 C ATOM 923 OE1 GLN A 63 -6.576 10.785 5.927 1.00 0.00 O ATOM 924 NE2 GLN A 63 -6.141 9.930 7.957 1.00 0.00 N ATOM 0 H GLN A 63 -4.576 9.047 2.167 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.854 7.268 4.335 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.544 9.402 4.303 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.044 10.306 4.245 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.680 8.328 6.472 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.761 9.819 6.537 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.536 9.343 8.532 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.947 10.394 8.375 1.00 0.00 H new ATOM 933 N LYS A 64 -7.546 8.909 3.451 1.00 0.00 N ATOM 934 CA LYS A 64 -8.987 9.005 3.652 1.00 0.00 C ATOM 935 C LYS A 64 -9.709 7.845 2.973 1.00 0.00 C ATOM 936 O LYS A 64 -10.805 7.460 3.382 1.00 0.00 O ATOM 937 CB LYS A 64 -9.511 10.335 3.106 1.00 0.00 C ATOM 938 CG LYS A 64 -9.606 10.376 1.591 1.00 0.00 C ATOM 939 CD LYS A 64 -10.916 9.785 1.098 1.00 0.00 C ATOM 940 CE LYS A 64 -10.742 9.088 -0.243 1.00 0.00 C ATOM 941 NZ LYS A 64 -11.956 9.216 -1.096 1.00 0.00 N ATOM 0 H LYS A 64 -7.199 9.418 2.638 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.184 8.956 4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.497 10.528 3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.857 11.139 3.442 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.519 11.407 1.248 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.771 9.825 1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.295 9.074 1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.661 10.575 1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.885 9.513 -0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.523 8.033 -0.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.798 8.728 -2.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.769 8.788 -0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.150 10.222 -1.275 1.00 0.00 H new ATOM 955 N ARG A 65 -9.088 7.292 1.937 1.00 0.00 N ATOM 956 CA ARG A 65 -9.672 6.177 1.202 1.00 0.00 C ATOM 957 C ARG A 65 -9.558 4.881 2.001 1.00 0.00 C ATOM 958 O ARG A 65 -10.563 4.243 2.313 1.00 0.00 O ATOM 959 CB ARG A 65 -8.982 6.015 -0.154 1.00 0.00 C ATOM 960 CG ARG A 65 -8.947 4.579 -0.652 1.00 0.00 C ATOM 961 CD ARG A 65 -10.349 4.016 -0.827 1.00 0.00 C ATOM 962 NE ARG A 65 -10.407 3.014 -1.889 1.00 0.00 N ATOM 963 CZ ARG A 65 -10.126 3.275 -3.161 1.00 0.00 C ATOM 964 NH1 ARG A 65 -9.769 4.498 -3.528 1.00 0.00 N ATOM 965 NH2 ARG A 65 -10.202 2.310 -4.069 1.00 0.00 N ATOM 0 H ARG A 65 -8.180 7.598 1.587 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.728 6.393 1.041 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.496 6.633 -0.890 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.961 6.390 -0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.415 4.535 -1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.391 3.961 0.053 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.680 3.570 0.111 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.040 4.828 -1.056 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.678 2.063 -1.640 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.709 5.242 -2.833 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.554 4.695 -4.505 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.476 1.368 -3.790 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.986 2.510 -5.046 1.00 0.00 H new ATOM 979 N MET A 66 -8.327 4.499 2.326 1.00 0.00 N ATOM 980 CA MET A 66 -8.083 3.280 3.089 1.00 0.00 C ATOM 981 C MET A 66 -8.835 3.308 4.415 1.00 0.00 C ATOM 982 O MET A 66 -9.598 2.394 4.725 1.00 0.00 O ATOM 983 CB MET A 66 -6.584 3.104 3.343 1.00 0.00 C ATOM 984 CG MET A 66 -5.807 2.662 2.113 1.00 0.00 C ATOM 985 SD MET A 66 -4.109 2.192 2.497 1.00 0.00 S ATOM 986 CE MET A 66 -3.199 3.372 1.503 1.00 0.00 C ATOM 0 H MET A 66 -7.484 5.015 2.073 1.00 0.00 H new ATOM 0 HA MET A 66 -8.447 2.436 2.504 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.172 4.046 3.704 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.442 2.370 4.136 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.318 1.818 1.649 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.800 3.471 1.382 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.324 3.714 2.055 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.880 2.897 0.575 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.839 4.224 1.273 1.00 0.00 H new ATOM 996 N GLU A 67 -8.615 4.363 5.193 1.00 0.00 N ATOM 997 CA GLU A 67 -9.273 4.508 6.487 1.00 0.00 C ATOM 998 C GLU A 67 -10.721 4.030 6.417 1.00 0.00 C ATOM 999 O GLU A 67 -11.265 3.522 7.396 1.00 0.00 O ATOM 1000 CB GLU A 67 -9.227 5.967 6.946 1.00 0.00 C ATOM 1001 CG GLU A 67 -10.230 6.861 6.236 1.00 0.00 C ATOM 1002 CD GLU A 67 -10.586 8.094 7.043 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -11.074 7.938 8.182 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -10.376 9.216 6.536 1.00 0.00 O ATOM 0 H GLU A 67 -7.987 5.129 4.951 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.739 3.890 7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.413 6.007 8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.223 6.359 6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.820 7.167 5.273 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.137 6.292 6.030 1.00 0.00 H new ATOM 1011 N ASN A 68 -11.338 4.199 5.252 1.00 0.00 N ATOM 1012 CA ASN A 68 -12.723 3.787 5.055 1.00 0.00 C ATOM 1013 C ASN A 68 -12.794 2.459 4.307 1.00 0.00 C ATOM 1014 O ASN A 68 -13.784 1.735 4.400 1.00 0.00 O ATOM 1015 CB ASN A 68 -13.492 4.861 4.283 1.00 0.00 C ATOM 1016 CG ASN A 68 -13.759 6.095 5.123 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -13.176 7.155 4.892 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -14.645 5.964 6.103 1.00 0.00 N ATOM 0 H ASN A 68 -10.901 4.618 4.431 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.180 3.657 6.036 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.925 5.144 3.396 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.440 4.448 3.937 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.866 6.761 6.700 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.104 5.067 6.259 1.00 0.00 H new ATOM 1025 N GLU A 69 -11.735 2.146 3.565 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.678 0.906 2.801 1.00 0.00 C ATOM 1027 C GLU A 69 -11.629 -0.304 3.730 1.00 0.00 C ATOM 1028 O GLU A 69 -11.509 -0.161 4.947 1.00 0.00 O ATOM 1029 CB GLU A 69 -10.456 0.904 1.880 1.00 0.00 C ATOM 1030 CG GLU A 69 -10.485 -0.196 0.833 1.00 0.00 C ATOM 1031 CD GLU A 69 -11.865 -0.399 0.237 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -12.547 0.612 -0.034 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -12.262 -1.566 0.041 1.00 0.00 O ATOM 0 H GLU A 69 -10.906 2.734 3.477 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.582 0.841 2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.388 1.869 1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.556 0.795 2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.782 0.047 0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.147 -1.129 1.283 1.00 0.00 H new ATOM 1040 N ASP A 70 -11.724 -1.494 3.148 1.00 0.00 N ATOM 1041 CA ASP A 70 -11.691 -2.729 3.922 1.00 0.00 C ATOM 1042 C ASP A 70 -10.758 -3.750 3.277 1.00 0.00 C ATOM 1043 O ASP A 70 -11.185 -4.569 2.464 1.00 0.00 O ATOM 1044 CB ASP A 70 -13.098 -3.315 4.049 1.00 0.00 C ATOM 1045 CG ASP A 70 -14.156 -2.244 4.228 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -13.822 -1.160 4.750 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -15.319 -2.490 3.846 1.00 0.00 O ATOM 0 H ASP A 70 -11.825 -1.630 2.142 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.312 -2.495 4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.326 -3.902 3.159 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.129 -3.998 4.898 1.00 0.00 H new ATOM 1052 N VAL A 71 -9.482 -3.693 3.645 1.00 0.00 N ATOM 1053 CA VAL A 71 -8.489 -4.612 3.102 1.00 0.00 C ATOM 1054 C VAL A 71 -9.080 -6.003 2.898 1.00 0.00 C ATOM 1055 O VAL A 71 -8.965 -6.586 1.819 1.00 0.00 O ATOM 1056 CB VAL A 71 -7.260 -4.720 4.025 1.00 0.00 C ATOM 1057 CG1 VAL A 71 -7.690 -5.002 5.456 1.00 0.00 C ATOM 1058 CG2 VAL A 71 -6.310 -5.796 3.523 1.00 0.00 C ATOM 0 H VAL A 71 -9.112 -3.020 4.317 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.177 -4.208 2.139 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.732 -3.766 4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -6.809 -5.075 6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.328 -4.192 5.810 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.242 -5.941 5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.448 -5.859 4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.825 -6.757 3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.976 -5.545 2.516 1.00 0.00 H new ATOM 1068 N PHE A 72 -9.714 -6.529 3.940 1.00 0.00 N ATOM 1069 CA PHE A 72 -10.324 -7.852 3.876 1.00 0.00 C ATOM 1070 C PHE A 72 -11.252 -8.082 5.066 1.00 0.00 C ATOM 1071 O PHE A 72 -10.798 -8.312 6.186 1.00 0.00 O ATOM 1072 CB PHE A 72 -9.243 -8.934 3.842 1.00 0.00 C ATOM 1073 CG PHE A 72 -8.757 -9.252 2.456 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -9.644 -9.658 1.473 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -7.413 -9.146 2.138 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -9.201 -9.951 0.197 1.00 0.00 C ATOM 1077 CE2 PHE A 72 -6.963 -9.438 0.864 1.00 0.00 C ATOM 1078 CZ PHE A 72 -7.858 -9.842 -0.107 1.00 0.00 C ATOM 0 H PHE A 72 -9.819 -6.059 4.839 1.00 0.00 H new ATOM 0 HA PHE A 72 -10.914 -7.908 2.961 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.398 -8.611 4.450 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -9.635 -9.843 4.298 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -10.695 -9.747 1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.709 -8.832 2.894 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.904 -10.265 -0.561 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.913 -9.350 0.628 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.508 -10.072 -1.103 1.00 0.00 H new ATOM 1088 N GLY A 73 -12.556 -8.017 4.813 1.00 0.00 N ATOM 1089 CA GLY A 73 -13.527 -8.219 5.872 1.00 0.00 C ATOM 1090 C GLY A 73 -13.143 -7.508 7.155 1.00 0.00 C ATOM 1091 O GLY A 73 -13.557 -7.909 8.242 1.00 0.00 O ATOM 0 H GLY A 73 -12.957 -7.828 3.894 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.502 -7.861 5.540 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.629 -9.286 6.068 1.00 0.00 H new ATOM 1095 N ASN A 74 -12.347 -6.451 7.028 1.00 0.00 N ATOM 1096 CA ASN A 74 -11.905 -5.685 8.188 1.00 0.00 C ATOM 1097 C ASN A 74 -11.458 -4.285 7.776 1.00 0.00 C ATOM 1098 O ASN A 74 -10.679 -4.123 6.837 1.00 0.00 O ATOM 1099 CB ASN A 74 -10.760 -6.410 8.898 1.00 0.00 C ATOM 1100 CG ASN A 74 -9.973 -5.492 9.813 1.00 0.00 C ATOM 1101 OD1 ASN A 74 -10.514 -4.942 10.773 1.00 0.00 O ATOM 1102 ND2 ASN A 74 -8.690 -5.321 9.518 1.00 0.00 N ATOM 0 H ASN A 74 -11.995 -6.106 6.135 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.747 -5.592 8.874 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.164 -7.239 9.479 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -10.089 -6.839 8.154 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.110 -4.713 10.097 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.284 -5.797 8.712 1.00 0.00 H new ATOM 1109 N ARG A 75 -11.955 -3.278 8.487 1.00 0.00 N ATOM 1110 CA ARG A 75 -11.608 -1.893 8.195 1.00 0.00 C ATOM 1111 C ARG A 75 -10.196 -1.574 8.678 1.00 0.00 C ATOM 1112 O ARG A 75 -9.810 -1.944 9.787 1.00 0.00 O ATOM 1113 CB ARG A 75 -12.610 -0.944 8.854 1.00 0.00 C ATOM 1114 CG ARG A 75 -13.785 -0.582 7.960 1.00 0.00 C ATOM 1115 CD ARG A 75 -14.624 -1.804 7.621 1.00 0.00 C ATOM 1116 NE ARG A 75 -15.625 -2.081 8.648 1.00 0.00 N ATOM 1117 CZ ARG A 75 -16.476 -3.100 8.588 1.00 0.00 C ATOM 1118 NH1 ARG A 75 -16.446 -3.934 7.558 1.00 0.00 N ATOM 1119 NH2 ARG A 75 -17.358 -3.288 9.562 1.00 0.00 N ATOM 0 H ARG A 75 -12.599 -3.396 9.269 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.644 -1.755 7.114 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.987 -1.405 9.767 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.093 -0.030 9.148 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.407 0.161 8.458 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.417 -0.125 7.041 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.120 -1.649 6.663 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.973 -2.671 7.506 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.673 -1.459 9.455 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.768 -3.795 6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.101 -4.715 7.515 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.383 -2.650 10.357 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.011 -4.070 9.515 1.00 0.00 H new ATOM 1133 N ILE A 76 -9.431 -0.885 7.838 1.00 0.00 N ATOM 1134 CA ILE A 76 -8.063 -0.516 8.179 1.00 0.00 C ATOM 1135 C ILE A 76 -7.963 0.966 8.527 1.00 0.00 C ATOM 1136 O ILE A 76 -8.781 1.773 8.086 1.00 0.00 O ATOM 1137 CB ILE A 76 -7.091 -0.826 7.025 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -7.563 -0.151 5.736 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -6.968 -2.330 6.827 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -6.639 -0.379 4.561 1.00 0.00 C ATOM 0 H ILE A 76 -9.735 -0.571 6.916 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.784 -1.111 9.048 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.108 -0.430 7.281 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.556 -0.522 5.484 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.658 0.921 5.910 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.278 -2.534 6.008 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.591 -2.788 7.742 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.947 -2.747 6.589 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.036 0.128 3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.651 0.018 4.793 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.563 -1.448 4.360 1.00 0.00 H new ATOM 1152 N ILE A 77 -6.956 1.315 9.320 1.00 0.00 N ATOM 1153 CA ILE A 77 -6.748 2.700 9.724 1.00 0.00 C ATOM 1154 C ILE A 77 -5.499 3.282 9.071 1.00 0.00 C ATOM 1155 O ILE A 77 -4.499 2.588 8.890 1.00 0.00 O ATOM 1156 CB ILE A 77 -6.620 2.827 11.254 1.00 0.00 C ATOM 1157 CG1 ILE A 77 -7.830 2.191 11.943 1.00 0.00 C ATOM 1158 CG2 ILE A 77 -6.483 4.288 11.655 1.00 0.00 C ATOM 1159 CD1 ILE A 77 -7.714 2.150 13.450 1.00 0.00 C ATOM 0 H ILE A 77 -6.272 0.658 9.695 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.623 3.260 9.393 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.723 2.297 11.574 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.727 2.747 11.671 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.959 1.175 11.569 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.394 4.361 12.739 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.594 4.712 11.188 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.363 4.840 11.326 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.606 1.687 13.871 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.836 1.569 13.732 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.616 3.165 13.835 1.00 0.00 H new ATOM 1171 N VAL A 78 -5.563 4.563 8.721 1.00 0.00 N ATOM 1172 CA VAL A 78 -4.436 5.240 8.091 1.00 0.00 C ATOM 1173 C VAL A 78 -4.129 6.561 8.788 1.00 0.00 C ATOM 1174 O VAL A 78 -5.007 7.408 8.952 1.00 0.00 O ATOM 1175 CB VAL A 78 -4.707 5.511 6.599 1.00 0.00 C ATOM 1176 CG1 VAL A 78 -3.425 5.916 5.888 1.00 0.00 C ATOM 1177 CG2 VAL A 78 -5.328 4.289 5.941 1.00 0.00 C ATOM 0 H VAL A 78 -6.383 5.152 8.863 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.577 4.576 8.182 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.414 6.337 6.520 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.636 6.103 4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.026 6.822 6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.692 5.114 5.974 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.513 4.498 4.887 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.647 3.443 6.029 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.270 4.049 6.434 1.00 0.00 H new ATOM 1187 N SER A 79 -2.876 6.730 9.197 1.00 0.00 N ATOM 1188 CA SER A 79 -2.452 7.947 9.881 1.00 0.00 C ATOM 1189 C SER A 79 -1.108 8.431 9.346 1.00 0.00 C ATOM 1190 O SER A 79 -0.278 7.634 8.907 1.00 0.00 O ATOM 1191 CB SER A 79 -2.357 7.704 11.388 1.00 0.00 C ATOM 1192 OG SER A 79 -2.661 8.882 12.115 1.00 0.00 O ATOM 0 H SER A 79 -2.136 6.040 9.067 1.00 0.00 H new ATOM 0 HA SER A 79 -3.198 8.719 9.692 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.044 6.908 11.675 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.353 7.365 11.642 1.00 0.00 H new ATOM 0 HG SER A 79 -2.595 8.700 13.076 1.00 0.00 H new ATOM 1198 N PHE A 80 -0.899 9.743 9.386 1.00 0.00 N ATOM 1199 CA PHE A 80 0.343 10.334 8.905 1.00 0.00 C ATOM 1200 C PHE A 80 1.449 10.201 9.948 1.00 0.00 C ATOM 1201 O PHE A 80 2.636 10.237 9.621 1.00 0.00 O ATOM 1202 CB PHE A 80 0.130 11.809 8.558 1.00 0.00 C ATOM 1203 CG PHE A 80 -0.433 12.026 7.182 1.00 0.00 C ATOM 1204 CD1 PHE A 80 -1.671 11.509 6.836 1.00 0.00 C ATOM 1205 CD2 PHE A 80 0.277 12.747 6.235 1.00 0.00 C ATOM 1206 CE1 PHE A 80 -2.190 11.706 5.571 1.00 0.00 C ATOM 1207 CE2 PHE A 80 -0.238 12.948 4.968 1.00 0.00 C ATOM 1208 CZ PHE A 80 -1.473 12.427 4.636 1.00 0.00 C ATOM 0 H PHE A 80 -1.574 10.417 9.747 1.00 0.00 H new ATOM 0 HA PHE A 80 0.647 9.796 8.007 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.543 12.253 9.291 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.082 12.334 8.640 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.237 10.946 7.563 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.243 13.156 6.490 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.156 11.297 5.313 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.325 13.512 4.239 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.878 12.583 3.647 1.00 0.00 H new ATOM 1218 N THR A 81 1.051 10.046 11.207 1.00 0.00 N ATOM 1219 CA THR A 81 2.006 9.909 12.299 1.00 0.00 C ATOM 1220 C THR A 81 1.992 8.495 12.868 1.00 0.00 C ATOM 1221 O THR A 81 1.007 7.764 12.755 1.00 0.00 O ATOM 1222 CB THR A 81 1.711 10.909 13.433 1.00 0.00 C ATOM 1223 OG1 THR A 81 0.303 10.956 13.691 1.00 0.00 O ATOM 1224 CG2 THR A 81 2.212 12.299 13.072 1.00 0.00 C ATOM 0 H THR A 81 0.073 10.012 11.495 1.00 0.00 H new ATOM 0 HA THR A 81 2.992 10.121 11.885 1.00 0.00 H new ATOM 0 HB THR A 81 2.233 10.573 14.329 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.003 11.889 13.702 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.993 12.988 13.888 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.289 12.266 12.905 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.714 12.641 12.164 1.00 0.00 H new ATOM 1232 N PRO A 82 3.108 8.097 13.496 1.00 0.00 N ATOM 1233 CA PRO A 82 3.248 6.767 14.096 1.00 0.00 C ATOM 1234 C PRO A 82 2.373 6.595 15.334 1.00 0.00 C ATOM 1235 O PRO A 82 1.991 7.572 15.977 1.00 0.00 O ATOM 1236 CB PRO A 82 4.729 6.702 14.475 1.00 0.00 C ATOM 1237 CG PRO A 82 5.137 8.124 14.652 1.00 0.00 C ATOM 1238 CD PRO A 82 4.320 8.915 13.668 1.00 0.00 C ATOM 0 HA PRO A 82 2.934 5.977 13.414 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.879 6.130 15.391 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.316 6.216 13.696 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.951 8.459 15.672 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.203 8.250 14.465 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.084 9.909 14.049 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.849 9.053 12.725 1.00 0.00 H new ATOM 1246 N LYS A 83 2.060 5.346 15.662 1.00 0.00 N ATOM 1247 CA LYS A 83 1.232 5.044 16.824 1.00 0.00 C ATOM 1248 C LYS A 83 2.095 4.804 18.059 1.00 0.00 C ATOM 1249 O LYS A 83 1.987 3.766 18.710 1.00 0.00 O ATOM 1250 CB LYS A 83 0.361 3.816 16.550 1.00 0.00 C ATOM 1251 CG LYS A 83 -0.552 3.975 15.347 1.00 0.00 C ATOM 1252 CD LYS A 83 -1.851 4.670 15.721 1.00 0.00 C ATOM 1253 CE LYS A 83 -2.893 3.677 16.214 1.00 0.00 C ATOM 1254 NZ LYS A 83 -4.260 4.268 16.225 1.00 0.00 N ATOM 0 H LYS A 83 2.367 4.526 15.139 1.00 0.00 H new ATOM 0 HA LYS A 83 0.588 5.903 17.014 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.006 2.951 16.395 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.246 3.607 17.431 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.041 4.549 14.574 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.771 2.995 14.923 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.658 5.411 16.496 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.240 5.207 14.856 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.884 2.794 15.575 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.632 3.346 17.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.941 3.561 16.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.275 5.096 16.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.519 4.561 15.261 1.00 0.00 H new ATOM 1268 N ASN A 84 2.949 5.772 18.376 1.00 0.00 N ATOM 1269 CA ASN A 84 3.829 5.665 19.534 1.00 0.00 C ATOM 1270 C ASN A 84 3.792 6.944 20.365 1.00 0.00 C ATOM 1271 O ASN A 84 3.739 6.897 21.594 1.00 0.00 O ATOM 1272 CB ASN A 84 5.263 5.375 19.086 1.00 0.00 C ATOM 1273 CG ASN A 84 6.218 5.242 20.256 1.00 0.00 C ATOM 1274 OD1 ASN A 84 6.100 4.322 21.067 1.00 0.00 O ATOM 1275 ND2 ASN A 84 7.171 6.162 20.350 1.00 0.00 N ATOM 0 H ASN A 84 3.050 6.639 17.848 1.00 0.00 H new ATOM 0 HA ASN A 84 3.476 4.840 20.153 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.279 4.455 18.501 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.605 6.176 18.430 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.843 6.124 21.117 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.231 6.907 19.655 1.00 0.00 H new ATOM 1282 N ARG A 85 3.820 8.086 19.685 1.00 0.00 N ATOM 1283 CA ARG A 85 3.791 9.378 20.360 1.00 0.00 C ATOM 1284 C ARG A 85 3.122 10.433 19.484 1.00 0.00 C ATOM 1285 O ARG A 85 3.620 10.768 18.410 1.00 0.00 O ATOM 1286 CB ARG A 85 5.210 9.822 20.718 1.00 0.00 C ATOM 1287 CG ARG A 85 5.887 8.929 21.745 1.00 0.00 C ATOM 1288 CD ARG A 85 6.845 9.718 22.624 1.00 0.00 C ATOM 1289 NE ARG A 85 7.717 8.844 23.405 1.00 0.00 N ATOM 1290 CZ ARG A 85 7.299 8.122 24.438 1.00 0.00 C ATOM 1291 NH1 ARG A 85 6.029 8.168 24.813 1.00 0.00 N ATOM 1292 NH2 ARG A 85 8.153 7.350 25.098 1.00 0.00 N ATOM 0 H ARG A 85 3.863 8.143 18.667 1.00 0.00 H new ATOM 0 HA ARG A 85 3.210 9.269 21.276 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.815 9.842 19.811 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.177 10.842 21.101 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.131 8.450 22.367 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.431 8.134 21.235 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.453 10.373 22.000 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.275 10.358 23.298 1.00 0.00 H new ATOM 0 HE ARG A 85 8.701 8.785 23.142 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.369 8.759 24.308 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.711 7.612 25.607 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.131 7.311 24.812 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.831 6.796 25.891 1.00 0.00 H new ATOM 1306 N GLU A 86 1.991 10.952 19.952 1.00 0.00 N ATOM 1307 CA GLU A 86 1.254 11.968 19.210 1.00 0.00 C ATOM 1308 C GLU A 86 0.119 12.541 20.054 1.00 0.00 C ATOM 1309 O GLU A 86 -0.398 11.877 20.953 1.00 0.00 O ATOM 1310 CB GLU A 86 0.693 11.379 17.914 1.00 0.00 C ATOM 1311 CG GLU A 86 0.277 12.430 16.898 1.00 0.00 C ATOM 1312 CD GLU A 86 1.303 13.537 16.751 1.00 0.00 C ATOM 1313 OE1 GLU A 86 2.513 13.240 16.831 1.00 0.00 O ATOM 1314 OE2 GLU A 86 0.894 14.701 16.555 1.00 0.00 O ATOM 0 H GLU A 86 1.566 10.686 20.840 1.00 0.00 H new ATOM 0 HA GLU A 86 1.945 12.775 18.965 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.444 10.729 17.465 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.168 10.754 18.151 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.121 11.953 15.930 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.678 12.862 17.198 1.00 0.00 H new ATOM 1321 N LEU A 87 -0.264 13.778 19.758 1.00 0.00 N ATOM 1322 CA LEU A 87 -1.338 14.443 20.488 1.00 0.00 C ATOM 1323 C LEU A 87 -2.675 14.258 19.778 1.00 0.00 C ATOM 1324 O LEU A 87 -2.735 14.204 18.550 1.00 0.00 O ATOM 1325 CB LEU A 87 -1.031 15.933 20.642 1.00 0.00 C ATOM 1326 CG LEU A 87 -0.013 16.301 21.722 1.00 0.00 C ATOM 1327 CD1 LEU A 87 0.384 17.764 21.605 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -0.575 16.009 23.106 1.00 0.00 C ATOM 0 H LEU A 87 0.153 14.341 19.017 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.407 13.989 21.477 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.668 16.309 19.686 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.963 16.455 20.857 1.00 0.00 H new ATOM 0 HG LEU A 87 0.878 15.691 21.577 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.109 18.008 22.382 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.827 17.943 20.626 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.499 18.391 21.724 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.163 16.277 23.862 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.482 16.593 23.261 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.809 14.947 23.187 1.00 0.00 H new ATOM 1340 N CYS A 88 -3.746 14.164 20.560 1.00 0.00 N ATOM 1341 CA CYS A 88 -5.083 13.986 20.006 1.00 0.00 C ATOM 1342 C CYS A 88 -5.439 15.134 19.066 1.00 0.00 C ATOM 1343 O CYS A 88 -5.486 16.293 19.477 1.00 0.00 O ATOM 1344 CB CYS A 88 -6.115 13.893 21.130 1.00 0.00 C ATOM 1345 SG CYS A 88 -7.821 13.724 20.555 1.00 0.00 S ATOM 0 H CYS A 88 -3.714 14.208 21.579 1.00 0.00 H new ATOM 0 HA CYS A 88 -5.093 13.057 19.436 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -5.870 13.040 21.763 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -6.040 14.785 21.753 1.00 0.00 H new ATOM 0 HG CYS A 88 -8.619 13.651 21.579 1.00 0.00 H new ATOM 1351 N GLU A 89 -5.688 14.803 17.803 1.00 0.00 N ATOM 1352 CA GLU A 89 -6.037 15.807 16.805 1.00 0.00 C ATOM 1353 C GLU A 89 -7.518 15.728 16.448 1.00 0.00 C ATOM 1354 O GLU A 89 -8.300 16.617 16.789 1.00 0.00 O ATOM 1355 CB GLU A 89 -5.187 15.624 15.546 1.00 0.00 C ATOM 1356 CG GLU A 89 -5.036 16.892 14.723 1.00 0.00 C ATOM 1357 CD GLU A 89 -3.879 17.754 15.187 1.00 0.00 C ATOM 1358 OE1 GLU A 89 -3.599 17.769 16.404 1.00 0.00 O ATOM 1359 OE2 GLU A 89 -3.252 18.415 14.332 1.00 0.00 O ATOM 0 H GLU A 89 -5.655 13.848 17.447 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.836 16.790 17.231 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.198 15.268 15.834 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.636 14.849 14.925 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.889 16.626 13.676 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.959 17.469 14.779 1.00 0.00 H new ATOM 1366 N THR A 90 -7.899 14.656 15.759 1.00 0.00 N ATOM 1367 CA THR A 90 -9.285 14.461 15.354 1.00 0.00 C ATOM 1368 C THR A 90 -9.909 15.768 14.880 1.00 0.00 C ATOM 1369 O THR A 90 -11.005 16.134 15.305 1.00 0.00 O ATOM 1370 CB THR A 90 -10.131 13.889 16.507 1.00 0.00 C ATOM 1371 OG1 THR A 90 -9.998 14.715 17.669 1.00 0.00 O ATOM 1372 CG2 THR A 90 -9.705 12.467 16.838 1.00 0.00 C ATOM 0 H THR A 90 -7.266 13.910 15.470 1.00 0.00 H new ATOM 0 HA THR A 90 -9.276 13.747 14.530 1.00 0.00 H new ATOM 0 HB THR A 90 -11.174 13.874 16.190 1.00 0.00 H new ATOM 0 HG1 THR A 90 -9.747 15.623 17.398 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.317 12.085 17.655 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.836 11.834 15.960 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.657 12.461 17.136 1.00 0.00 H new ATOM 1380 N SER A 91 -9.205 16.469 13.997 1.00 0.00 N ATOM 1381 CA SER A 91 -9.690 17.738 13.467 1.00 0.00 C ATOM 1382 C SER A 91 -9.978 17.628 11.973 1.00 0.00 C ATOM 1383 O SER A 91 -9.309 16.888 11.253 1.00 0.00 O ATOM 1384 CB SER A 91 -8.665 18.845 13.721 1.00 0.00 C ATOM 1385 OG SER A 91 -7.602 18.781 12.785 1.00 0.00 O ATOM 0 H SER A 91 -8.297 16.180 13.634 1.00 0.00 H new ATOM 0 HA SER A 91 -10.619 17.988 13.980 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.152 19.818 13.657 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.269 18.753 14.732 1.00 0.00 H new ATOM 0 HG SER A 91 -6.962 19.500 12.968 1.00 0.00 H new ATOM 1391 N GLY A 92 -10.979 18.373 11.513 1.00 0.00 N ATOM 1392 CA GLY A 92 -11.339 18.346 10.108 1.00 0.00 C ATOM 1393 C GLY A 92 -10.841 19.565 9.358 1.00 0.00 C ATOM 1394 O GLY A 92 -11.475 20.620 9.353 1.00 0.00 O ATOM 0 H GLY A 92 -11.547 18.995 12.089 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.928 17.447 9.648 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -12.423 18.284 10.015 1.00 0.00 H new ATOM 1398 N PRO A 93 -9.676 19.429 8.706 1.00 0.00 N ATOM 1399 CA PRO A 93 -9.066 20.518 7.939 1.00 0.00 C ATOM 1400 C PRO A 93 -9.849 20.844 6.671 1.00 0.00 C ATOM 1401 O PRO A 93 -10.642 20.032 6.195 1.00 0.00 O ATOM 1402 CB PRO A 93 -7.681 19.971 7.585 1.00 0.00 C ATOM 1403 CG PRO A 93 -7.842 18.490 7.606 1.00 0.00 C ATOM 1404 CD PRO A 93 -8.865 18.200 8.669 1.00 0.00 C ATOM 0 HA PRO A 93 -9.040 21.449 8.505 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.356 20.320 6.605 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.930 20.298 8.305 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.172 18.119 6.635 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.896 17.998 7.830 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.469 17.328 8.419 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.397 17.998 9.633 1.00 0.00 H new ATOM 1412 N SER A 94 -9.621 22.036 6.130 1.00 0.00 N ATOM 1413 CA SER A 94 -10.308 22.470 4.919 1.00 0.00 C ATOM 1414 C SER A 94 -9.376 22.406 3.713 1.00 0.00 C ATOM 1415 O SER A 94 -8.156 22.346 3.860 1.00 0.00 O ATOM 1416 CB SER A 94 -10.841 23.893 5.092 1.00 0.00 C ATOM 1417 OG SER A 94 -12.126 23.888 5.688 1.00 0.00 O ATOM 0 H SER A 94 -8.966 22.719 6.511 1.00 0.00 H new ATOM 0 HA SER A 94 -11.146 21.795 4.744 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.153 24.470 5.710 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.889 24.387 4.122 1.00 0.00 H new ATOM 0 HG SER A 94 -12.443 24.810 5.789 1.00 0.00 H new ATOM 1423 N SER A 95 -9.961 22.419 2.519 1.00 0.00 N ATOM 1424 CA SER A 95 -9.185 22.359 1.287 1.00 0.00 C ATOM 1425 C SER A 95 -10.087 22.526 0.068 1.00 0.00 C ATOM 1426 O SER A 95 -11.076 21.812 -0.090 1.00 0.00 O ATOM 1427 CB SER A 95 -8.431 21.031 1.198 1.00 0.00 C ATOM 1428 OG SER A 95 -7.284 21.149 0.375 1.00 0.00 O ATOM 0 H SER A 95 -10.970 22.471 2.380 1.00 0.00 H new ATOM 0 HA SER A 95 -8.465 23.178 1.300 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.134 20.710 2.197 1.00 0.00 H new ATOM 0 HB3 SER A 95 -9.091 20.261 0.799 1.00 0.00 H new ATOM 0 HG SER A 95 -6.819 20.287 0.336 1.00 0.00 H new ATOM 1434 N GLY A 96 -9.737 23.478 -0.793 1.00 0.00 N ATOM 1435 CA GLY A 96 -10.525 23.723 -1.987 1.00 0.00 C ATOM 1436 C GLY A 96 -12.009 23.819 -1.693 1.00 0.00 C ATOM 1437 O GLY A 96 -12.768 24.387 -2.478 1.00 0.00 O ATOM 0 H GLY A 96 -8.923 24.083 -0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.190 24.648 -2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.351 22.921 -2.704 1.00 0.00 H new TER 1441 GLY A 96