USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 753 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 45 ASN : amide:sc= -0.243 X(o=-7.1,f=-7.3) USER MOD Set 1.2: A 93 LYS NZ :NH3+ -169:sc= -6.83! (180deg=-7.23!) USER MOD Set 2.1: A 77 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 81 GLN : amide:sc= -0.0629 K(o=-0.063,f=-1.4) USER MOD Set 3.1: A 52 SER OG : rot -71:sc= -2.04! USER MOD Set 3.2: A 97 TYR OH : rot -161:sc= 0.555 USER MOD Set 4.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 22 LYS NZ :NH3+ -169:sc= -1.19 (180deg=-1.28) USER MOD Set 5.1: A 11 ASN : amide:sc= -2.14! C(o=-2.4!,f=-3!) USER MOD Set 5.2: A 79 GLN : amide:sc= -0.269 X(o=-2.4,f=-2.3) USER MOD Set 6.1: A 4 LYS NZ :NH3+ -111:sc= -1.89! (180deg=-6.2!) USER MOD Set 6.2: A 5 SER OG : rot -117:sc= 1.21 USER MOD Set 6.3: A 41 SER OG : rot 98:sc= 1.29 USER MOD Single : A 1 MET CE :methyl 169:sc= -6.95! (180deg=-7.71!) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0.988 (180deg=0.804) USER MOD Single : A 6 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.066) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 9 TYR OH : rot 30:sc=-0.000418 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= 0.546 (180deg=0.0993) USER MOD Single : A 24 ASN : amide:sc= -0.683 X(o=-0.68,f=-0.58) USER MOD Single : A 28 SER OG : rot 71:sc= -1.12! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -5.94 K(o=-5.9,f=-15!) USER MOD Single : A 34 CYS SG : rot -130:sc= -1.71! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 69:sc= 1.23 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot -68:sc= 0.266 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -3.61! USER MOD Single : A 55 SER OG : rot 180:sc= 0.0237 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -80:sc= -0.625 USER MOD Single : A 73 MET CE :methyl 158:sc= -6.18! (180deg=-8.45!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 89:sc= 0.343 USER MOD Single : A 82 LYS NZ :NH3+ 149:sc= -0.167 (180deg=-1.04) USER MOD Single : A 85 LYS NZ :NH3+ 162:sc= -0.524 (180deg=-1.3) USER MOD Single : A 86 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.27) USER MOD Single : A 88 ASN : amide:sc= -1.99! C(o=-2!,f=-4.7!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 96 LYS NZ :NH3+ -145:sc= -0.237 (180deg=-0.749) USER MOD Single : A 101 LYS NZ :NH3+ 159:sc= -1.41 (180deg=-2.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.177 6.144 12.942 1.00 0.00 N ATOM 2 CA MET A 1 5.102 6.195 11.453 1.00 0.00 C ATOM 3 C MET A 1 4.724 7.574 10.960 1.00 0.00 C ATOM 4 O MET A 1 4.283 7.722 9.820 1.00 0.00 O ATOM 5 CB MET A 1 4.045 5.220 10.904 1.00 0.00 C ATOM 6 CG MET A 1 3.295 4.409 11.928 1.00 0.00 C ATOM 7 SD MET A 1 2.355 5.434 13.068 1.00 0.00 S ATOM 8 CE MET A 1 1.162 4.249 13.643 1.00 0.00 C ATOM 0 H1 MET A 1 5.536 5.215 13.240 1.00 0.00 H new ATOM 0 H2 MET A 1 5.818 6.889 13.283 1.00 0.00 H new ATOM 0 H3 MET A 1 4.229 6.293 13.343 1.00 0.00 H new ATOM 0 HA MET A 1 6.096 5.921 11.099 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.322 5.791 10.322 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.537 4.533 10.216 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.618 3.724 11.418 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.001 3.799 12.491 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.624 4.660 14.498 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.456 4.026 12.843 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.673 3.334 13.942 1.00 0.00 H new ATOM 20 N ASP A 2 4.828 8.576 11.812 1.00 0.00 N ATOM 21 CA ASP A 2 4.415 9.903 11.411 1.00 0.00 C ATOM 22 C ASP A 2 2.961 9.817 10.961 1.00 0.00 C ATOM 23 O ASP A 2 2.325 8.789 11.162 1.00 0.00 O ATOM 24 CB ASP A 2 5.306 10.442 10.291 1.00 0.00 C ATOM 25 CG ASP A 2 5.863 11.815 10.610 1.00 0.00 C ATOM 26 OD1 ASP A 2 5.245 12.533 11.423 1.00 0.00 O ATOM 27 OD2 ASP A 2 6.921 12.171 10.048 1.00 0.00 O ATOM 0 H ASP A 2 5.186 8.499 12.764 1.00 0.00 H new ATOM 0 HA ASP A 2 4.510 10.596 12.247 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.130 9.749 10.120 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.733 10.491 9.365 1.00 0.00 H new ATOM 32 N ILE A 3 2.432 10.877 10.383 1.00 0.00 N ATOM 33 CA ILE A 3 1.037 10.886 9.944 1.00 0.00 C ATOM 34 C ILE A 3 0.808 10.126 8.647 1.00 0.00 C ATOM 35 O ILE A 3 -0.135 9.346 8.527 1.00 0.00 O ATOM 36 CB ILE A 3 0.540 12.327 9.803 1.00 0.00 C ATOM 37 CG1 ILE A 3 0.272 12.919 11.192 1.00 0.00 C ATOM 38 CG2 ILE A 3 -0.702 12.393 8.928 1.00 0.00 C ATOM 39 CD1 ILE A 3 1.046 12.230 12.302 1.00 0.00 C ATOM 0 H ILE A 3 2.939 11.744 10.204 1.00 0.00 H new ATOM 0 HA ILE A 3 0.466 10.367 10.713 1.00 0.00 H new ATOM 0 HB ILE A 3 1.313 12.920 9.314 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.530 13.978 11.183 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.794 12.852 11.407 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.034 13.428 8.845 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.469 12.006 7.936 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.494 11.793 9.375 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.809 12.699 13.257 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.771 11.176 12.338 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.115 12.319 12.110 1.00 0.00 H new ATOM 51 N LYS A 4 1.662 10.382 7.679 1.00 0.00 N ATOM 52 CA LYS A 4 1.549 9.743 6.363 1.00 0.00 C ATOM 53 C LYS A 4 1.302 8.251 6.523 1.00 0.00 C ATOM 54 O LYS A 4 0.303 7.712 6.048 1.00 0.00 O ATOM 55 CB LYS A 4 2.812 9.941 5.492 1.00 0.00 C ATOM 56 CG LYS A 4 3.764 11.051 5.943 1.00 0.00 C ATOM 57 CD LYS A 4 5.047 10.543 6.613 1.00 0.00 C ATOM 58 CE LYS A 4 4.897 9.196 7.302 1.00 0.00 C ATOM 59 NZ LYS A 4 6.142 8.808 8.021 1.00 0.00 N ATOM 0 H LYS A 4 2.447 11.027 7.768 1.00 0.00 H new ATOM 0 HA LYS A 4 0.710 10.222 5.859 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.365 9.002 5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.496 10.152 4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.034 11.657 5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.238 11.705 6.639 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.832 10.468 5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.377 11.279 7.346 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.067 9.237 8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.650 8.434 6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.584 7.999 7.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.803 9.611 8.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.910 8.543 8.999 1.00 0.00 H new ATOM 73 N SER A 5 2.232 7.601 7.196 1.00 0.00 N ATOM 74 CA SER A 5 2.153 6.173 7.441 1.00 0.00 C ATOM 75 C SER A 5 1.314 5.848 8.669 1.00 0.00 C ATOM 76 O SER A 5 1.194 4.688 9.031 1.00 0.00 O ATOM 77 CB SER A 5 3.556 5.583 7.585 1.00 0.00 C ATOM 78 OG SER A 5 4.265 5.667 6.361 1.00 0.00 O ATOM 0 H SER A 5 3.062 8.046 7.588 1.00 0.00 H new ATOM 0 HA SER A 5 1.658 5.721 6.581 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.101 6.116 8.364 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.487 4.542 7.900 1.00 0.00 H new ATOM 0 HG SER A 5 4.475 4.764 6.042 1.00 0.00 H new ATOM 84 N GLN A 6 0.747 6.863 9.325 1.00 0.00 N ATOM 85 CA GLN A 6 -0.057 6.626 10.515 1.00 0.00 C ATOM 86 C GLN A 6 -1.456 6.168 10.199 1.00 0.00 C ATOM 87 O GLN A 6 -1.864 5.090 10.604 1.00 0.00 O ATOM 88 CB GLN A 6 -0.152 7.885 11.350 1.00 0.00 C ATOM 89 CG GLN A 6 0.253 7.655 12.775 1.00 0.00 C ATOM 90 CD GLN A 6 -0.406 8.625 13.728 1.00 0.00 C ATOM 91 OE1 GLN A 6 0.262 9.313 14.500 1.00 0.00 O ATOM 92 NE2 GLN A 6 -1.731 8.682 13.676 1.00 0.00 N ATOM 0 H GLN A 6 0.831 7.843 9.053 1.00 0.00 H new ATOM 0 HA GLN A 6 0.449 5.831 11.063 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.483 8.656 10.914 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.175 8.261 11.321 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.005 6.636 13.063 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.336 7.746 12.861 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.241 8.092 13.019 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.239 9.316 14.293 1.00 0.00 H new ATOM 101 N THR A 7 -2.201 7.002 9.513 1.00 0.00 N ATOM 102 CA THR A 7 -3.565 6.666 9.190 1.00 0.00 C ATOM 103 C THR A 7 -3.593 5.580 8.151 1.00 0.00 C ATOM 104 O THR A 7 -4.462 4.714 8.181 1.00 0.00 O ATOM 105 CB THR A 7 -4.356 7.884 8.740 1.00 0.00 C ATOM 106 OG1 THR A 7 -3.536 9.040 8.694 1.00 0.00 O ATOM 107 CG2 THR A 7 -5.514 8.167 9.665 1.00 0.00 C ATOM 0 H THR A 7 -1.888 7.911 9.171 1.00 0.00 H new ATOM 0 HA THR A 7 -4.048 6.296 10.095 1.00 0.00 H new ATOM 0 HB THR A 7 -4.732 7.655 7.743 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.069 9.808 8.400 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.056 9.044 9.312 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.185 7.308 9.681 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.139 8.353 10.671 1.00 0.00 H new ATOM 115 N LEU A 8 -2.619 5.594 7.255 1.00 0.00 N ATOM 116 CA LEU A 8 -2.548 4.560 6.253 1.00 0.00 C ATOM 117 C LEU A 8 -2.206 3.252 6.947 1.00 0.00 C ATOM 118 O LEU A 8 -2.731 2.194 6.596 1.00 0.00 O ATOM 119 CB LEU A 8 -1.546 4.919 5.141 1.00 0.00 C ATOM 120 CG LEU A 8 -0.153 4.284 5.236 1.00 0.00 C ATOM 121 CD1 LEU A 8 -0.215 2.793 4.937 1.00 0.00 C ATOM 122 CD2 LEU A 8 0.800 4.975 4.270 1.00 0.00 C ATOM 0 H LEU A 8 -1.883 6.298 7.206 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.511 4.455 5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.984 4.636 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.426 6.002 5.128 1.00 0.00 H new ATOM 0 HG LEU A 8 0.215 4.412 6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.785 2.365 5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.872 2.305 5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.602 2.640 3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.787 4.518 4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.426 4.869 3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.870 6.033 4.522 1.00 0.00 H new ATOM 134 N TYR A 9 -1.365 3.340 7.979 1.00 0.00 N ATOM 135 CA TYR A 9 -1.012 2.174 8.761 1.00 0.00 C ATOM 136 C TYR A 9 -2.208 1.768 9.599 1.00 0.00 C ATOM 137 O TYR A 9 -2.735 0.667 9.473 1.00 0.00 O ATOM 138 CB TYR A 9 0.168 2.480 9.640 1.00 0.00 C ATOM 139 CG TYR A 9 0.367 1.513 10.763 1.00 0.00 C ATOM 140 CD1 TYR A 9 -0.121 0.212 10.734 1.00 0.00 C ATOM 141 CD2 TYR A 9 1.052 1.932 11.861 1.00 0.00 C ATOM 142 CE1 TYR A 9 0.090 -0.635 11.807 1.00 0.00 C ATOM 143 CE2 TYR A 9 1.270 1.117 12.930 1.00 0.00 C ATOM 144 CZ TYR A 9 0.787 -0.175 12.909 1.00 0.00 C ATOM 145 OH TYR A 9 1.005 -1.009 13.982 1.00 0.00 O ATOM 0 H TYR A 9 -0.922 4.206 8.285 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.738 1.353 8.099 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.069 2.496 9.026 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.047 3.481 10.055 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.667 -0.139 9.871 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.435 2.942 11.886 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.286 -1.647 11.784 1.00 0.00 H new ATOM 0 HE2 TYR A 9 1.817 1.479 13.788 1.00 0.00 H new ATOM 0 HH TYR A 9 1.059 -1.936 13.670 1.00 0.00 H new ATOM 155 N LEU A 10 -2.646 2.687 10.444 1.00 0.00 N ATOM 156 CA LEU A 10 -3.804 2.453 11.286 1.00 0.00 C ATOM 157 C LEU A 10 -4.946 1.942 10.425 1.00 0.00 C ATOM 158 O LEU A 10 -5.746 1.115 10.858 1.00 0.00 O ATOM 159 CB LEU A 10 -4.220 3.745 11.996 1.00 0.00 C ATOM 160 CG LEU A 10 -3.558 3.991 13.353 1.00 0.00 C ATOM 161 CD1 LEU A 10 -4.153 5.222 14.018 1.00 0.00 C ATOM 162 CD2 LEU A 10 -3.720 2.770 14.246 1.00 0.00 C ATOM 0 H LEU A 10 -2.215 3.604 10.564 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.554 1.711 12.045 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.994 4.588 11.343 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.301 3.731 12.135 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.494 4.167 13.196 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.671 5.383 14.982 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.992 6.093 13.382 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.223 5.074 14.167 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.245 2.958 15.209 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.780 2.569 14.398 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.251 1.908 13.772 1.00 0.00 H new ATOM 174 N ASN A 11 -4.987 2.420 9.185 1.00 0.00 N ATOM 175 CA ASN A 11 -6.004 1.993 8.245 1.00 0.00 C ATOM 176 C ASN A 11 -5.758 0.543 7.846 1.00 0.00 C ATOM 177 O ASN A 11 -6.688 -0.181 7.507 1.00 0.00 O ATOM 178 CB ASN A 11 -6.013 2.877 6.996 1.00 0.00 C ATOM 179 CG ASN A 11 -6.878 4.111 7.164 1.00 0.00 C ATOM 180 OD1 ASN A 11 -7.898 4.079 7.851 1.00 0.00 O ATOM 181 ND2 ASN A 11 -6.473 5.207 6.533 1.00 0.00 N ATOM 0 H ASN A 11 -4.326 3.102 8.813 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.975 2.083 8.732 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -4.993 3.182 6.763 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.374 2.297 6.147 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.015 6.068 6.608 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.620 5.188 5.974 1.00 0.00 H new ATOM 188 N LEU A 12 -4.491 0.126 7.894 1.00 0.00 N ATOM 189 CA LEU A 12 -4.127 -1.240 7.549 1.00 0.00 C ATOM 190 C LEU A 12 -4.795 -2.214 8.500 1.00 0.00 C ATOM 191 O LEU A 12 -5.341 -3.231 8.082 1.00 0.00 O ATOM 192 CB LEU A 12 -2.607 -1.439 7.568 1.00 0.00 C ATOM 193 CG LEU A 12 -1.867 -0.887 6.348 1.00 0.00 C ATOM 194 CD1 LEU A 12 -0.395 -0.677 6.664 1.00 0.00 C ATOM 195 CD2 LEU A 12 -2.029 -1.822 5.159 1.00 0.00 C ATOM 0 H LEU A 12 -3.706 0.716 8.168 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.475 -1.433 6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.205 -0.965 8.463 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.396 -2.505 7.650 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.303 0.078 6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.114 -0.284 5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.297 0.032 7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.055 -1.628 6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.496 -1.414 4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.620 -2.801 5.408 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.087 -1.922 4.916 1.00 0.00 H new ATOM 207 N SER A 13 -4.769 -1.886 9.783 1.00 0.00 N ATOM 208 CA SER A 13 -5.398 -2.728 10.782 1.00 0.00 C ATOM 209 C SER A 13 -6.905 -2.631 10.651 1.00 0.00 C ATOM 210 O SER A 13 -7.611 -3.641 10.594 1.00 0.00 O ATOM 211 CB SER A 13 -4.958 -2.318 12.187 1.00 0.00 C ATOM 212 OG SER A 13 -5.444 -3.225 13.161 1.00 0.00 O ATOM 0 H SER A 13 -4.321 -1.047 10.153 1.00 0.00 H new ATOM 0 HA SER A 13 -5.090 -3.761 10.619 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.870 -2.279 12.233 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.322 -1.314 12.407 1.00 0.00 H new ATOM 0 HG SER A 13 -5.147 -2.940 14.050 1.00 0.00 H new ATOM 218 N GLU A 14 -7.386 -1.403 10.578 1.00 0.00 N ATOM 219 CA GLU A 14 -8.809 -1.152 10.426 1.00 0.00 C ATOM 220 C GLU A 14 -9.310 -1.755 9.128 1.00 0.00 C ATOM 221 O GLU A 14 -10.455 -2.183 9.026 1.00 0.00 O ATOM 222 CB GLU A 14 -9.106 0.347 10.441 1.00 0.00 C ATOM 223 CG GLU A 14 -8.521 1.064 11.640 1.00 0.00 C ATOM 224 CD GLU A 14 -9.539 1.928 12.360 1.00 0.00 C ATOM 225 OE1 GLU A 14 -10.047 2.888 11.742 1.00 0.00 O ATOM 226 OE2 GLU A 14 -9.828 1.644 13.542 1.00 0.00 O ATOM 0 H GLU A 14 -6.811 -0.562 10.622 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.324 -1.617 11.266 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.712 0.797 9.530 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.186 0.496 10.429 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.117 0.329 12.336 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.687 1.687 11.315 1.00 0.00 H new ATOM 233 N ALA A 15 -8.434 -1.805 8.142 1.00 0.00 N ATOM 234 CA ALA A 15 -8.780 -2.384 6.862 1.00 0.00 C ATOM 235 C ALA A 15 -8.738 -3.862 6.954 1.00 0.00 C ATOM 236 O ALA A 15 -9.702 -4.529 6.658 1.00 0.00 O ATOM 237 CB ALA A 15 -7.847 -1.954 5.771 1.00 0.00 C ATOM 0 H ALA A 15 -7.479 -1.452 8.205 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.783 -2.034 6.616 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.149 -2.415 4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.881 -0.869 5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.832 -2.264 6.017 1.00 0.00 H new ATOM 243 N TYR A 16 -7.589 -4.356 7.383 1.00 0.00 N ATOM 244 CA TYR A 16 -7.360 -5.775 7.531 1.00 0.00 C ATOM 245 C TYR A 16 -8.590 -6.457 8.118 1.00 0.00 C ATOM 246 O TYR A 16 -8.857 -7.623 7.831 1.00 0.00 O ATOM 247 CB TYR A 16 -6.134 -5.964 8.405 1.00 0.00 C ATOM 248 CG TYR A 16 -6.216 -7.174 9.258 1.00 0.00 C ATOM 249 CD1 TYR A 16 -5.945 -8.411 8.727 1.00 0.00 C ATOM 250 CD2 TYR A 16 -6.584 -7.071 10.576 1.00 0.00 C ATOM 251 CE1 TYR A 16 -6.030 -9.546 9.488 1.00 0.00 C ATOM 252 CE2 TYR A 16 -6.678 -8.200 11.370 1.00 0.00 C ATOM 253 CZ TYR A 16 -6.398 -9.443 10.819 1.00 0.00 C ATOM 254 OH TYR A 16 -6.487 -10.573 11.597 1.00 0.00 O ATOM 0 H TYR A 16 -6.788 -3.778 7.638 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.182 -6.238 6.561 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.249 -6.031 7.772 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.007 -5.086 9.039 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.659 -8.490 7.689 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.802 -6.101 10.997 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.812 -10.511 9.055 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.966 -8.115 12.407 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.756 -10.324 12.506 1.00 0.00 H new ATOM 264 N LYS A 17 -9.368 -5.710 8.892 1.00 0.00 N ATOM 265 CA LYS A 17 -10.597 -6.240 9.446 1.00 0.00 C ATOM 266 C LYS A 17 -11.689 -6.253 8.363 1.00 0.00 C ATOM 267 O LYS A 17 -12.815 -6.683 8.611 1.00 0.00 O ATOM 268 CB LYS A 17 -11.041 -5.443 10.683 1.00 0.00 C ATOM 269 CG LYS A 17 -11.845 -4.185 10.381 1.00 0.00 C ATOM 270 CD LYS A 17 -11.569 -3.101 11.419 1.00 0.00 C ATOM 271 CE LYS A 17 -12.125 -1.739 11.014 1.00 0.00 C ATOM 272 NZ LYS A 17 -12.915 -1.797 9.750 1.00 0.00 N ATOM 0 H LYS A 17 -9.167 -4.743 9.146 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.421 -7.264 9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.638 -6.094 11.321 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.156 -5.163 11.253 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.591 -3.816 9.387 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.909 -4.422 10.371 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.006 -3.398 12.372 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.493 -3.018 11.574 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.756 -1.355 11.816 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.301 -1.036 10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.382 -0.882 9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.280 -2.006 8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.635 -2.544 9.824 1.00 0.00 H new ATOM 286 N ASP A 18 -11.331 -5.793 7.151 1.00 0.00 N ATOM 287 CA ASP A 18 -12.253 -5.764 6.022 1.00 0.00 C ATOM 288 C ASP A 18 -12.796 -7.173 5.761 1.00 0.00 C ATOM 289 O ASP A 18 -12.061 -8.050 5.309 1.00 0.00 O ATOM 290 CB ASP A 18 -11.583 -5.215 4.748 1.00 0.00 C ATOM 291 CG ASP A 18 -10.095 -5.496 4.660 1.00 0.00 C ATOM 292 OD1 ASP A 18 -9.594 -6.328 5.448 1.00 0.00 O ATOM 293 OD2 ASP A 18 -9.426 -4.883 3.802 1.00 0.00 O ATOM 0 H ASP A 18 -10.400 -5.436 6.936 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.073 -5.093 6.278 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.075 -5.647 3.877 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.742 -4.138 4.703 1.00 0.00 H new ATOM 298 N PRO A 19 -14.079 -7.415 6.072 1.00 0.00 N ATOM 299 CA PRO A 19 -14.719 -8.729 5.911 1.00 0.00 C ATOM 300 C PRO A 19 -14.382 -9.474 4.618 1.00 0.00 C ATOM 301 O PRO A 19 -14.359 -10.705 4.613 1.00 0.00 O ATOM 302 CB PRO A 19 -16.199 -8.383 5.964 1.00 0.00 C ATOM 303 CG PRO A 19 -16.255 -7.248 6.919 1.00 0.00 C ATOM 304 CD PRO A 19 -15.021 -6.429 6.647 1.00 0.00 C ATOM 0 HA PRO A 19 -14.372 -9.422 6.677 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.581 -8.101 4.983 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.797 -9.227 6.308 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.159 -6.656 6.772 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.271 -7.603 7.949 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.224 -5.614 5.952 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.627 -5.980 7.559 1.00 0.00 H new ATOM 312 N GLU A 20 -14.130 -8.761 3.521 1.00 0.00 N ATOM 313 CA GLU A 20 -13.815 -9.438 2.269 1.00 0.00 C ATOM 314 C GLU A 20 -12.321 -9.544 2.043 1.00 0.00 C ATOM 315 O GLU A 20 -11.852 -9.896 0.960 1.00 0.00 O ATOM 316 CB GLU A 20 -14.465 -8.720 1.117 1.00 0.00 C ATOM 317 CG GLU A 20 -15.950 -8.985 1.055 1.00 0.00 C ATOM 318 CD GLU A 20 -16.517 -8.845 -0.345 1.00 0.00 C ATOM 319 OE1 GLU A 20 -16.109 -9.626 -1.230 1.00 0.00 O ATOM 320 OE2 GLU A 20 -17.366 -7.954 -0.554 1.00 0.00 O ATOM 0 H GLU A 20 -14.137 -7.742 3.474 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.209 -10.452 2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.291 -7.648 1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.000 -9.036 0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.150 -9.991 1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.465 -8.293 1.721 1.00 0.00 H new ATOM 327 N VAL A 21 -11.603 -9.323 3.112 1.00 0.00 N ATOM 328 CA VAL A 21 -10.165 -9.464 3.144 1.00 0.00 C ATOM 329 C VAL A 21 -9.852 -10.533 4.182 1.00 0.00 C ATOM 330 O VAL A 21 -8.884 -11.283 4.059 1.00 0.00 O ATOM 331 CB VAL A 21 -9.462 -8.141 3.477 1.00 0.00 C ATOM 332 CG1 VAL A 21 -7.984 -8.361 3.775 1.00 0.00 C ATOM 333 CG2 VAL A 21 -9.648 -7.151 2.333 1.00 0.00 C ATOM 0 H VAL A 21 -12.006 -9.034 4.004 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.793 -9.753 2.161 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.916 -7.725 4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.514 -7.406 4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.881 -9.033 4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.499 -8.802 2.904 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.146 -6.215 2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.220 -7.565 1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.711 -6.964 2.183 1.00 0.00 H new ATOM 343 N LYS A 22 -10.751 -10.636 5.173 1.00 0.00 N ATOM 344 CA LYS A 22 -10.667 -11.647 6.200 1.00 0.00 C ATOM 345 C LYS A 22 -10.725 -12.996 5.526 1.00 0.00 C ATOM 346 O LYS A 22 -10.011 -13.932 5.885 1.00 0.00 O ATOM 347 CB LYS A 22 -11.862 -11.518 7.149 1.00 0.00 C ATOM 348 CG LYS A 22 -12.170 -10.098 7.558 1.00 0.00 C ATOM 349 CD LYS A 22 -10.937 -9.369 8.059 1.00 0.00 C ATOM 350 CE LYS A 22 -10.124 -10.218 9.027 1.00 0.00 C ATOM 351 NZ LYS A 22 -9.576 -9.408 10.149 1.00 0.00 N ATOM 0 H LYS A 22 -11.552 -10.012 5.271 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.743 -11.532 6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.742 -11.946 6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.668 -12.109 8.044 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.589 -9.559 6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.930 -10.103 8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.313 -9.088 7.211 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.238 -8.445 8.553 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.752 -11.015 9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.305 -10.697 8.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.882 -9.973 10.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.112 -8.558 9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.350 -9.126 10.784 1.00 0.00 H new ATOM 365 N ALA A 23 -11.582 -13.063 4.511 1.00 0.00 N ATOM 366 CA ALA A 23 -11.741 -14.275 3.734 1.00 0.00 C ATOM 367 C ALA A 23 -10.464 -14.546 2.957 1.00 0.00 C ATOM 368 O ALA A 23 -10.187 -15.679 2.559 1.00 0.00 O ATOM 369 CB ALA A 23 -12.931 -14.158 2.794 1.00 0.00 C ATOM 0 H ALA A 23 -12.175 -12.288 4.212 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.932 -15.110 4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.033 -15.079 2.220 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.838 -13.990 3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.776 -13.321 2.113 1.00 0.00 H new ATOM 375 N ASN A 24 -9.683 -13.488 2.756 1.00 0.00 N ATOM 376 CA ASN A 24 -8.431 -13.585 2.044 1.00 0.00 C ATOM 377 C ASN A 24 -7.256 -13.603 3.013 1.00 0.00 C ATOM 378 O ASN A 24 -6.811 -12.562 3.496 1.00 0.00 O ATOM 379 CB ASN A 24 -8.298 -12.439 1.045 1.00 0.00 C ATOM 380 CG ASN A 24 -9.357 -12.491 -0.040 1.00 0.00 C ATOM 381 OD1 ASN A 24 -10.467 -11.990 0.137 1.00 0.00 O ATOM 382 ND2 ASN A 24 -9.018 -13.100 -1.170 1.00 0.00 N ATOM 0 H ASN A 24 -9.906 -12.548 3.084 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.421 -14.524 1.491 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.371 -11.489 1.574 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.310 -12.473 0.586 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.690 -13.166 -1.935 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.086 -13.501 -1.273 1.00 0.00 H new ATOM 389 N GLU A 25 -6.770 -14.807 3.299 1.00 0.00 N ATOM 390 CA GLU A 25 -5.656 -15.003 4.220 1.00 0.00 C ATOM 391 C GLU A 25 -4.456 -14.143 3.849 1.00 0.00 C ATOM 392 O GLU A 25 -3.816 -13.549 4.713 1.00 0.00 O ATOM 393 CB GLU A 25 -5.254 -16.482 4.238 1.00 0.00 C ATOM 394 CG GLU A 25 -4.497 -16.911 5.488 1.00 0.00 C ATOM 395 CD GLU A 25 -5.166 -16.456 6.772 1.00 0.00 C ATOM 396 OE1 GLU A 25 -6.396 -16.238 6.755 1.00 0.00 O ATOM 397 OE2 GLU A 25 -4.462 -16.320 7.794 1.00 0.00 O ATOM 0 H GLU A 25 -7.136 -15.672 2.900 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.986 -14.698 5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.153 -17.092 4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.636 -16.689 3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.407 -17.997 5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.485 -16.508 5.449 1.00 0.00 H new ATOM 404 N PHE A 26 -4.155 -14.090 2.564 1.00 0.00 N ATOM 405 CA PHE A 26 -3.020 -13.320 2.068 1.00 0.00 C ATOM 406 C PHE A 26 -3.266 -11.819 2.174 1.00 0.00 C ATOM 407 O PHE A 26 -2.453 -11.083 2.732 1.00 0.00 O ATOM 408 CB PHE A 26 -2.728 -13.694 0.613 1.00 0.00 C ATOM 409 CG PHE A 26 -1.504 -13.025 0.052 1.00 0.00 C ATOM 410 CD1 PHE A 26 -0.253 -13.600 0.203 1.00 0.00 C ATOM 411 CD2 PHE A 26 -1.608 -11.821 -0.627 1.00 0.00 C ATOM 412 CE1 PHE A 26 0.874 -12.987 -0.312 1.00 0.00 C ATOM 413 CE2 PHE A 26 -0.485 -11.204 -1.145 1.00 0.00 C ATOM 414 CZ PHE A 26 0.758 -11.788 -0.987 1.00 0.00 C ATOM 0 H PHE A 26 -4.683 -14.574 1.837 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.159 -13.564 2.690 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.605 -14.775 0.542 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.589 -13.430 -0.001 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.157 -14.538 0.729 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.577 -11.360 -0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.844 -13.445 -0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.578 -10.266 -1.673 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.637 -11.307 -1.391 1.00 0.00 H new ATOM 424 N LEU A 27 -4.385 -11.372 1.619 1.00 0.00 N ATOM 425 CA LEU A 27 -4.741 -9.957 1.628 1.00 0.00 C ATOM 426 C LEU A 27 -4.608 -9.336 3.012 1.00 0.00 C ATOM 427 O LEU A 27 -3.853 -8.381 3.197 1.00 0.00 O ATOM 428 CB LEU A 27 -6.170 -9.776 1.134 1.00 0.00 C ATOM 429 CG LEU A 27 -6.310 -9.182 -0.261 1.00 0.00 C ATOM 430 CD1 LEU A 27 -7.595 -9.672 -0.908 1.00 0.00 C ATOM 431 CD2 LEU A 27 -6.279 -7.663 -0.193 1.00 0.00 C ATOM 0 H LEU A 27 -5.066 -11.972 1.154 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.043 -9.448 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.667 -10.746 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.701 -9.135 1.838 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.470 -9.510 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.687 -9.242 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.573 -10.759 -0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.447 -9.366 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.380 -7.252 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.102 -7.310 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.333 -7.337 0.239 1.00 0.00 H new ATOM 443 N SER A 28 -5.355 -9.860 3.982 1.00 0.00 N ATOM 444 CA SER A 28 -5.308 -9.317 5.323 1.00 0.00 C ATOM 445 C SER A 28 -3.915 -9.462 5.917 1.00 0.00 C ATOM 446 O SER A 28 -3.355 -8.503 6.441 1.00 0.00 O ATOM 447 CB SER A 28 -6.382 -9.977 6.184 1.00 0.00 C ATOM 448 OG SER A 28 -5.816 -10.878 7.118 1.00 0.00 O ATOM 0 H SER A 28 -5.990 -10.649 3.860 1.00 0.00 H new ATOM 0 HA SER A 28 -5.521 -8.248 5.290 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.948 -9.210 6.713 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.087 -10.509 5.545 1.00 0.00 H new ATOM 0 HG SER A 28 -5.339 -10.375 7.810 1.00 0.00 H new ATOM 454 N LYS A 29 -3.349 -10.651 5.801 1.00 0.00 N ATOM 455 CA LYS A 29 -2.002 -10.905 6.308 1.00 0.00 C ATOM 456 C LYS A 29 -1.022 -9.872 5.766 1.00 0.00 C ATOM 457 O LYS A 29 -0.128 -9.421 6.481 1.00 0.00 O ATOM 458 CB LYS A 29 -1.537 -12.316 5.947 1.00 0.00 C ATOM 459 CG LYS A 29 -2.012 -13.371 6.928 1.00 0.00 C ATOM 460 CD LYS A 29 -1.982 -14.759 6.315 1.00 0.00 C ATOM 461 CE LYS A 29 -0.683 -15.479 6.622 1.00 0.00 C ATOM 462 NZ LYS A 29 0.211 -15.546 5.433 1.00 0.00 N ATOM 0 H LYS A 29 -3.796 -11.456 5.362 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.032 -10.823 7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.899 -12.567 4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.448 -12.333 5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.382 -13.352 7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.026 -13.137 7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.820 -15.343 6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.110 -14.683 5.235 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.168 -14.967 7.435 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.901 -16.489 6.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.087 -16.046 5.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.270 -16.057 4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.441 -14.582 5.117 1.00 0.00 H new ATOM 476 N LEU A 30 -1.203 -9.483 4.506 1.00 0.00 N ATOM 477 CA LEU A 30 -0.337 -8.485 3.901 1.00 0.00 C ATOM 478 C LEU A 30 -0.604 -7.133 4.537 1.00 0.00 C ATOM 479 O LEU A 30 0.322 -6.400 4.880 1.00 0.00 O ATOM 480 CB LEU A 30 -0.550 -8.415 2.386 1.00 0.00 C ATOM 481 CG LEU A 30 0.329 -9.350 1.545 1.00 0.00 C ATOM 482 CD1 LEU A 30 0.587 -8.741 0.177 1.00 0.00 C ATOM 483 CD2 LEU A 30 1.648 -9.649 2.248 1.00 0.00 C ATOM 0 H LEU A 30 -1.935 -9.842 3.893 1.00 0.00 H new ATOM 0 HA LEU A 30 0.701 -8.769 4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.595 -8.641 2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.373 -7.390 2.060 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.206 -10.291 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.212 -9.415 -0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.362 -8.586 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.096 -7.784 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.249 -10.314 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.191 -8.719 2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.449 -10.129 3.206 1.00 0.00 H new ATOM 495 N VAL A 31 -1.882 -6.828 4.729 1.00 0.00 N ATOM 496 CA VAL A 31 -2.278 -5.585 5.369 1.00 0.00 C ATOM 497 C VAL A 31 -1.743 -5.570 6.791 1.00 0.00 C ATOM 498 O VAL A 31 -1.377 -4.527 7.332 1.00 0.00 O ATOM 499 CB VAL A 31 -3.809 -5.437 5.408 1.00 0.00 C ATOM 500 CG1 VAL A 31 -4.201 -4.016 5.773 1.00 0.00 C ATOM 501 CG2 VAL A 31 -4.426 -5.851 4.080 1.00 0.00 C ATOM 0 H VAL A 31 -2.660 -7.426 4.450 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.868 -4.756 4.793 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.198 -6.102 6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.288 -3.933 5.795 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.798 -3.768 6.755 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.799 -3.326 5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.509 -5.738 4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.032 -5.220 3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.179 -6.892 3.873 1.00 0.00 H new ATOM 511 N VAL A 32 -1.691 -6.763 7.375 1.00 0.00 N ATOM 512 CA VAL A 32 -1.192 -6.953 8.722 1.00 0.00 C ATOM 513 C VAL A 32 0.315 -6.764 8.760 1.00 0.00 C ATOM 514 O VAL A 32 0.826 -5.817 9.358 1.00 0.00 O ATOM 515 CB VAL A 32 -1.539 -8.360 9.229 1.00 0.00 C ATOM 516 CG1 VAL A 32 -1.148 -8.519 10.689 1.00 0.00 C ATOM 517 CG2 VAL A 32 -3.019 -8.655 9.018 1.00 0.00 C ATOM 0 H VAL A 32 -1.996 -7.624 6.922 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.665 -6.212 9.366 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.966 -9.086 8.652 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.403 -9.523 11.027 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.075 -8.361 10.798 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.685 -7.786 11.291 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.246 -9.657 9.383 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.617 -7.925 9.564 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.254 -8.594 7.955 1.00 0.00 H new ATOM 527 N GLN A 33 1.018 -7.673 8.101 1.00 0.00 N ATOM 528 CA GLN A 33 2.475 -7.618 8.032 1.00 0.00 C ATOM 529 C GLN A 33 2.919 -6.226 7.609 1.00 0.00 C ATOM 530 O GLN A 33 3.849 -5.654 8.175 1.00 0.00 O ATOM 531 CB GLN A 33 3.015 -8.700 7.075 1.00 0.00 C ATOM 532 CG GLN A 33 3.614 -8.177 5.772 1.00 0.00 C ATOM 533 CD GLN A 33 5.067 -7.771 5.919 1.00 0.00 C ATOM 534 OE1 GLN A 33 5.415 -6.954 6.772 1.00 0.00 O ATOM 535 NE2 GLN A 33 5.928 -8.343 5.083 1.00 0.00 N ATOM 0 H GLN A 33 0.603 -8.461 7.604 1.00 0.00 H new ATOM 0 HA GLN A 33 2.888 -7.822 9.020 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.776 -9.279 7.599 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.203 -9.386 6.833 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.532 -8.946 5.004 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.034 -7.320 5.428 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.597 -9.015 4.391 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.920 -8.110 5.134 1.00 0.00 H new ATOM 544 N CYS A 34 2.218 -5.682 6.627 1.00 0.00 N ATOM 545 CA CYS A 34 2.501 -4.345 6.131 1.00 0.00 C ATOM 546 C CYS A 34 2.305 -3.340 7.257 1.00 0.00 C ATOM 547 O CYS A 34 3.044 -2.364 7.375 1.00 0.00 O ATOM 548 CB CYS A 34 1.582 -4.003 4.957 1.00 0.00 C ATOM 549 SG CYS A 34 1.927 -2.403 4.189 1.00 0.00 S ATOM 0 H CYS A 34 1.444 -6.150 6.155 1.00 0.00 H new ATOM 0 HA CYS A 34 3.533 -4.305 5.781 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.671 -4.783 4.201 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.549 -4.012 5.304 1.00 0.00 H new ATOM 0 HG CYS A 34 0.822 -1.726 4.081 1.00 0.00 H new ATOM 555 N ALA A 35 1.304 -3.604 8.093 1.00 0.00 N ATOM 556 CA ALA A 35 1.004 -2.740 9.226 1.00 0.00 C ATOM 557 C ALA A 35 2.216 -2.608 10.136 1.00 0.00 C ATOM 558 O ALA A 35 2.431 -1.570 10.763 1.00 0.00 O ATOM 559 CB ALA A 35 -0.192 -3.282 9.997 1.00 0.00 C ATOM 0 H ALA A 35 0.687 -4.412 8.005 1.00 0.00 H new ATOM 0 HA ALA A 35 0.754 -1.748 8.851 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.407 -2.628 10.842 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.060 -3.323 9.340 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.034 -4.284 10.362 1.00 0.00 H new ATOM 565 N GLY A 36 3.011 -3.666 10.188 1.00 0.00 N ATOM 566 CA GLY A 36 4.206 -3.659 11.008 1.00 0.00 C ATOM 567 C GLY A 36 5.347 -2.925 10.335 1.00 0.00 C ATOM 568 O GLY A 36 6.175 -2.303 11.000 1.00 0.00 O ATOM 0 H GLY A 36 2.850 -4.533 9.675 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.986 -3.188 11.966 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.508 -4.685 11.219 1.00 0.00 H new ATOM 572 N LYS A 37 5.382 -2.991 9.008 1.00 0.00 N ATOM 573 CA LYS A 37 6.417 -2.322 8.238 1.00 0.00 C ATOM 574 C LYS A 37 6.177 -0.814 8.208 1.00 0.00 C ATOM 575 O LYS A 37 7.049 -0.045 7.802 1.00 0.00 O ATOM 576 CB LYS A 37 6.460 -2.876 6.811 1.00 0.00 C ATOM 577 CG LYS A 37 6.406 -4.394 6.738 1.00 0.00 C ATOM 578 CD LYS A 37 7.453 -5.041 7.634 1.00 0.00 C ATOM 579 CE LYS A 37 6.821 -5.720 8.839 1.00 0.00 C ATOM 580 NZ LYS A 37 7.676 -5.604 10.054 1.00 0.00 N ATOM 0 H LYS A 37 4.703 -3.503 8.445 1.00 0.00 H new ATOM 0 HA LYS A 37 7.377 -2.511 8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.623 -2.465 6.247 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.373 -2.531 6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.414 -4.737 7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.561 -4.714 5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.021 -5.773 7.060 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.160 -4.284 7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.846 -5.274 9.037 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.650 -6.773 8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.210 -6.079 10.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.597 -6.052 9.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.818 -4.600 10.284 1.00 0.00 H new ATOM 594 N LEU A 38 4.987 -0.396 8.640 1.00 0.00 N ATOM 595 CA LEU A 38 4.634 1.016 8.663 1.00 0.00 C ATOM 596 C LEU A 38 5.017 1.647 9.992 1.00 0.00 C ATOM 597 O LEU A 38 5.441 2.798 10.037 1.00 0.00 O ATOM 598 CB LEU A 38 3.130 1.187 8.429 1.00 0.00 C ATOM 599 CG LEU A 38 2.689 1.262 6.964 1.00 0.00 C ATOM 600 CD1 LEU A 38 2.869 2.671 6.427 1.00 0.00 C ATOM 601 CD2 LEU A 38 3.456 0.262 6.110 1.00 0.00 C ATOM 0 H LEU A 38 4.253 -1.019 8.978 1.00 0.00 H new ATOM 0 HA LEU A 38 5.184 1.516 7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.610 0.354 8.903 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.804 2.096 8.934 1.00 0.00 H new ATOM 0 HG LEU A 38 1.631 1.004 6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.551 2.707 5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.266 3.364 7.014 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.919 2.955 6.496 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.123 0.337 5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.523 0.480 6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.272 -0.747 6.478 1.00 0.00 H new ATOM 613 N THR A 39 4.866 0.888 11.073 1.00 0.00 N ATOM 614 CA THR A 39 5.194 1.387 12.404 1.00 0.00 C ATOM 615 C THR A 39 6.538 2.101 12.404 1.00 0.00 C ATOM 616 O THR A 39 6.757 3.041 13.168 1.00 0.00 O ATOM 617 CB THR A 39 5.203 0.254 13.426 1.00 0.00 C ATOM 618 OG1 THR A 39 5.052 -1.005 12.794 1.00 0.00 O ATOM 619 CG2 THR A 39 4.113 0.385 14.465 1.00 0.00 C ATOM 0 H THR A 39 4.520 -0.071 11.054 1.00 0.00 H new ATOM 0 HA THR A 39 4.422 2.103 12.686 1.00 0.00 H new ATOM 0 HB THR A 39 6.170 0.323 13.923 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.858 -1.210 12.276 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.173 -0.451 15.162 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.239 1.321 15.009 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.140 0.379 13.974 1.00 0.00 H new ATOM 627 N ALA A 40 7.430 1.651 11.535 1.00 0.00 N ATOM 628 CA ALA A 40 8.747 2.251 11.425 1.00 0.00 C ATOM 629 C ALA A 40 8.839 3.159 10.210 1.00 0.00 C ATOM 630 O ALA A 40 9.878 3.222 9.553 1.00 0.00 O ATOM 631 CB ALA A 40 9.836 1.189 11.347 1.00 0.00 C ATOM 0 H ALA A 40 7.264 0.873 10.897 1.00 0.00 H new ATOM 0 HA ALA A 40 8.900 2.847 12.325 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.810 1.672 11.265 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.810 0.574 12.247 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.669 0.560 10.473 1.00 0.00 H new ATOM 637 N SER A 41 7.757 3.870 9.905 1.00 0.00 N ATOM 638 CA SER A 41 7.765 4.766 8.755 1.00 0.00 C ATOM 639 C SER A 41 8.968 5.695 8.820 1.00 0.00 C ATOM 640 O SER A 41 9.440 6.178 7.790 1.00 0.00 O ATOM 641 CB SER A 41 6.469 5.566 8.653 1.00 0.00 C ATOM 642 OG SER A 41 6.375 6.224 7.400 1.00 0.00 O ATOM 0 H SER A 41 6.881 3.845 10.427 1.00 0.00 H new ATOM 0 HA SER A 41 7.840 4.154 7.856 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.616 4.901 8.783 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.426 6.300 9.457 1.00 0.00 H new ATOM 0 HG SER A 41 5.817 5.694 6.793 1.00 0.00 H new ATOM 648 N ASN A 42 9.497 5.907 10.031 1.00 0.00 N ATOM 649 CA ASN A 42 10.686 6.732 10.204 1.00 0.00 C ATOM 650 C ASN A 42 11.717 6.308 9.165 1.00 0.00 C ATOM 651 O ASN A 42 12.471 7.125 8.635 1.00 0.00 O ATOM 652 CB ASN A 42 11.250 6.563 11.615 1.00 0.00 C ATOM 653 CG ASN A 42 11.650 7.886 12.242 1.00 0.00 C ATOM 654 OD1 ASN A 42 12.670 8.473 11.884 1.00 0.00 O ATOM 655 ND2 ASN A 42 10.844 8.359 13.186 1.00 0.00 N ATOM 0 H ASN A 42 9.120 5.520 10.896 1.00 0.00 H new ATOM 0 HA ASN A 42 10.433 7.784 10.069 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.505 6.076 12.245 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.118 5.904 11.580 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.061 9.243 13.646 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.008 7.838 13.451 1.00 0.00 H new ATOM 662 N SER A 43 11.676 5.017 8.840 1.00 0.00 N ATOM 663 CA SER A 43 12.517 4.443 7.832 1.00 0.00 C ATOM 664 C SER A 43 11.698 4.388 6.555 1.00 0.00 C ATOM 665 O SER A 43 11.398 3.312 6.035 1.00 0.00 O ATOM 666 CB SER A 43 12.980 3.042 8.238 1.00 0.00 C ATOM 667 OG SER A 43 11.885 2.143 8.309 1.00 0.00 O ATOM 0 H SER A 43 11.047 4.347 9.282 1.00 0.00 H new ATOM 0 HA SER A 43 13.416 5.044 7.693 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.711 2.674 7.518 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.481 3.087 9.205 1.00 0.00 H new ATOM 0 HG SER A 43 11.306 2.392 9.059 1.00 0.00 H new ATOM 673 N GLU A 44 11.299 5.567 6.078 1.00 0.00 N ATOM 674 CA GLU A 44 10.467 5.665 4.889 1.00 0.00 C ATOM 675 C GLU A 44 11.133 4.982 3.715 1.00 0.00 C ATOM 676 O GLU A 44 10.471 4.559 2.778 1.00 0.00 O ATOM 677 CB GLU A 44 10.159 7.130 4.577 1.00 0.00 C ATOM 678 CG GLU A 44 11.134 7.808 3.632 1.00 0.00 C ATOM 679 CD GLU A 44 11.255 9.294 3.909 1.00 0.00 C ATOM 680 OE1 GLU A 44 10.264 10.021 3.690 1.00 0.00 O ATOM 681 OE2 GLU A 44 12.341 9.730 4.347 1.00 0.00 O ATOM 0 H GLU A 44 11.541 6.464 6.499 1.00 0.00 H new ATOM 0 HA GLU A 44 9.523 5.154 5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.159 7.191 4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.138 7.688 5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.114 7.341 3.726 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.806 7.657 2.603 1.00 0.00 H new ATOM 688 N ASN A 45 12.439 4.833 3.798 1.00 0.00 N ATOM 689 CA ASN A 45 13.178 4.141 2.756 1.00 0.00 C ATOM 690 C ASN A 45 12.774 2.677 2.764 1.00 0.00 C ATOM 691 O ASN A 45 12.677 2.021 1.724 1.00 0.00 O ATOM 692 CB ASN A 45 14.687 4.278 2.967 1.00 0.00 C ATOM 693 CG ASN A 45 15.450 4.312 1.658 1.00 0.00 C ATOM 694 OD1 ASN A 45 16.142 5.283 1.354 1.00 0.00 O ATOM 695 ND2 ASN A 45 15.325 3.248 0.873 1.00 0.00 N ATOM 0 H ASN A 45 13.010 5.178 4.570 1.00 0.00 H new ATOM 0 HA ASN A 45 12.940 4.588 1.791 1.00 0.00 H new ATOM 0 HB2 ASN A 45 14.892 5.190 3.528 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.044 3.444 3.572 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.814 3.214 -0.022 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.740 2.465 1.165 1.00 0.00 H new ATOM 702 N SER A 46 12.503 2.191 3.962 1.00 0.00 N ATOM 703 CA SER A 46 12.071 0.827 4.165 1.00 0.00 C ATOM 704 C SER A 46 10.584 0.708 3.873 1.00 0.00 C ATOM 705 O SER A 46 10.103 -0.319 3.395 1.00 0.00 O ATOM 706 CB SER A 46 12.372 0.403 5.596 1.00 0.00 C ATOM 707 OG SER A 46 11.782 -0.850 5.898 1.00 0.00 O ATOM 0 H SER A 46 12.578 2.735 4.821 1.00 0.00 H new ATOM 0 HA SER A 46 12.611 0.169 3.484 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.451 0.343 5.740 1.00 0.00 H new ATOM 0 HB3 SER A 46 11.999 1.159 6.287 1.00 0.00 H new ATOM 0 HG SER A 46 11.994 -1.097 6.823 1.00 0.00 H new ATOM 713 N TYR A 47 9.876 1.798 4.133 1.00 0.00 N ATOM 714 CA TYR A 47 8.468 1.890 3.881 1.00 0.00 C ATOM 715 C TYR A 47 8.287 2.231 2.412 1.00 0.00 C ATOM 716 O TYR A 47 7.230 2.013 1.840 1.00 0.00 O ATOM 717 CB TYR A 47 7.836 2.920 4.832 1.00 0.00 C ATOM 718 CG TYR A 47 6.792 3.812 4.211 1.00 0.00 C ATOM 719 CD1 TYR A 47 7.160 4.829 3.349 1.00 0.00 C ATOM 720 CD2 TYR A 47 5.445 3.641 4.495 1.00 0.00 C ATOM 721 CE1 TYR A 47 6.211 5.653 2.776 1.00 0.00 C ATOM 722 CE2 TYR A 47 4.489 4.459 3.929 1.00 0.00 C ATOM 723 CZ TYR A 47 4.875 5.462 3.069 1.00 0.00 C ATOM 724 OH TYR A 47 3.922 6.272 2.499 1.00 0.00 O ATOM 0 H TYR A 47 10.280 2.647 4.529 1.00 0.00 H new ATOM 0 HA TYR A 47 7.955 0.948 4.077 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.385 2.388 5.670 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.628 3.546 5.242 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.205 4.981 3.121 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.140 2.855 5.170 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.512 6.442 2.103 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.444 4.313 4.159 1.00 0.00 H new ATOM 0 HH TYR A 47 3.033 6.001 2.811 1.00 0.00 H new ATOM 734 N ILE A 48 9.377 2.746 1.823 1.00 0.00 N ATOM 735 CA ILE A 48 9.451 3.113 0.414 1.00 0.00 C ATOM 736 C ILE A 48 9.440 1.846 -0.418 1.00 0.00 C ATOM 737 O ILE A 48 8.801 1.773 -1.466 1.00 0.00 O ATOM 738 CB ILE A 48 10.760 3.916 0.145 1.00 0.00 C ATOM 739 CG1 ILE A 48 10.554 5.433 0.277 1.00 0.00 C ATOM 740 CG2 ILE A 48 11.368 3.594 -1.212 1.00 0.00 C ATOM 741 CD1 ILE A 48 9.155 5.838 0.662 1.00 0.00 C ATOM 0 H ILE A 48 10.245 2.920 2.329 1.00 0.00 H new ATOM 0 HA ILE A 48 8.599 3.737 0.147 1.00 0.00 H new ATOM 0 HB ILE A 48 11.460 3.598 0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.249 5.819 1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.809 5.906 -0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 48 12.277 4.179 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.609 2.532 -1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.654 3.840 -1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.097 6.924 0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.453 5.486 -0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.901 5.397 1.626 1.00 0.00 H new ATOM 753 N GLU A 49 10.135 0.837 0.083 1.00 0.00 N ATOM 754 CA GLU A 49 10.190 -0.443 -0.581 1.00 0.00 C ATOM 755 C GLU A 49 8.842 -1.094 -0.444 1.00 0.00 C ATOM 756 O GLU A 49 8.179 -1.370 -1.441 1.00 0.00 O ATOM 757 CB GLU A 49 11.297 -1.324 0.007 1.00 0.00 C ATOM 758 CG GLU A 49 12.454 -0.529 0.596 1.00 0.00 C ATOM 759 CD GLU A 49 13.707 -1.362 0.777 1.00 0.00 C ATOM 760 OE1 GLU A 49 14.183 -1.944 -0.220 1.00 0.00 O ATOM 761 OE2 GLU A 49 14.214 -1.432 1.916 1.00 0.00 O ATOM 0 H GLU A 49 10.669 0.886 0.951 1.00 0.00 H new ATOM 0 HA GLU A 49 10.429 -0.306 -1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.871 -1.960 0.783 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.679 -1.984 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.676 0.317 -0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.153 -0.119 1.560 1.00 0.00 H new ATOM 768 N VAL A 50 8.402 -1.274 0.797 1.00 0.00 N ATOM 769 CA VAL A 50 7.088 -1.826 1.027 1.00 0.00 C ATOM 770 C VAL A 50 6.065 -0.915 0.358 1.00 0.00 C ATOM 771 O VAL A 50 4.963 -1.338 0.010 1.00 0.00 O ATOM 772 CB VAL A 50 6.761 -2.001 2.531 1.00 0.00 C ATOM 773 CG1 VAL A 50 6.412 -0.671 3.178 1.00 0.00 C ATOM 774 CG2 VAL A 50 5.629 -3.003 2.720 1.00 0.00 C ATOM 0 H VAL A 50 8.931 -1.048 1.640 1.00 0.00 H new ATOM 0 HA VAL A 50 7.056 -2.827 0.597 1.00 0.00 H new ATOM 0 HB VAL A 50 7.653 -2.388 3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.188 -0.827 4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.256 0.012 3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.541 -0.242 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.414 -3.113 3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.738 -2.646 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.925 -3.968 2.308 1.00 0.00 H new ATOM 784 N ILE A 51 6.472 0.344 0.146 1.00 0.00 N ATOM 785 CA ILE A 51 5.639 1.317 -0.516 1.00 0.00 C ATOM 786 C ILE A 51 5.527 0.953 -1.991 1.00 0.00 C ATOM 787 O ILE A 51 4.464 1.093 -2.610 1.00 0.00 O ATOM 788 CB ILE A 51 6.207 2.751 -0.321 1.00 0.00 C ATOM 789 CG1 ILE A 51 5.176 3.607 0.411 1.00 0.00 C ATOM 790 CG2 ILE A 51 6.615 3.411 -1.636 1.00 0.00 C ATOM 791 CD1 ILE A 51 3.768 3.472 -0.141 1.00 0.00 C ATOM 0 H ILE A 51 7.384 0.700 0.432 1.00 0.00 H new ATOM 0 HA ILE A 51 4.642 1.307 -0.076 1.00 0.00 H new ATOM 0 HB ILE A 51 7.116 2.668 0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.171 3.332 1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.480 4.652 0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.004 4.410 -1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.386 2.811 -2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.747 3.484 -2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.091 4.109 0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.757 3.776 -1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.444 2.434 -0.061 1.00 0.00 H new ATOM 803 N SER A 52 6.635 0.450 -2.540 1.00 0.00 N ATOM 804 CA SER A 52 6.670 0.034 -3.925 1.00 0.00 C ATOM 805 C SER A 52 5.880 -1.247 -4.102 1.00 0.00 C ATOM 806 O SER A 52 5.282 -1.490 -5.150 1.00 0.00 O ATOM 807 CB SER A 52 8.105 -0.170 -4.401 1.00 0.00 C ATOM 808 OG SER A 52 8.662 -1.351 -3.852 1.00 0.00 O ATOM 0 H SER A 52 7.514 0.325 -2.039 1.00 0.00 H new ATOM 0 HA SER A 52 6.219 0.822 -4.528 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.126 -0.226 -5.489 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.712 0.689 -4.115 1.00 0.00 H new ATOM 0 HG SER A 52 8.831 -1.219 -2.896 1.00 0.00 H new ATOM 814 N LEU A 53 5.888 -2.066 -3.057 1.00 0.00 N ATOM 815 CA LEU A 53 5.182 -3.332 -3.067 1.00 0.00 C ATOM 816 C LEU A 53 3.718 -3.137 -2.698 1.00 0.00 C ATOM 817 O LEU A 53 2.884 -4.000 -2.964 1.00 0.00 O ATOM 818 CB LEU A 53 5.839 -4.336 -2.117 1.00 0.00 C ATOM 819 CG LEU A 53 7.259 -3.979 -1.699 1.00 0.00 C ATOM 820 CD1 LEU A 53 7.800 -4.979 -0.691 1.00 0.00 C ATOM 821 CD2 LEU A 53 8.168 -3.885 -2.914 1.00 0.00 C ATOM 0 H LEU A 53 6.382 -1.869 -2.187 1.00 0.00 H new ATOM 0 HA LEU A 53 5.235 -3.734 -4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.223 -4.426 -1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.851 -5.315 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 53 7.234 -3.002 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.815 -4.699 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.166 -4.981 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.807 -5.975 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.178 -3.629 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.184 -4.844 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.795 -3.114 -3.589 1.00 0.00 H new ATOM 833 N LEU A 54 3.408 -2.000 -2.075 1.00 0.00 N ATOM 834 CA LEU A 54 2.047 -1.709 -1.671 1.00 0.00 C ATOM 835 C LEU A 54 1.158 -1.432 -2.874 1.00 0.00 C ATOM 836 O LEU A 54 0.140 -2.097 -3.065 1.00 0.00 O ATOM 837 CB LEU A 54 2.006 -0.531 -0.696 1.00 0.00 C ATOM 838 CG LEU A 54 1.771 -0.910 0.770 1.00 0.00 C ATOM 839 CD1 LEU A 54 1.113 0.240 1.513 1.00 0.00 C ATOM 840 CD2 LEU A 54 0.921 -2.174 0.879 1.00 0.00 C ATOM 0 H LEU A 54 4.084 -1.272 -1.843 1.00 0.00 H new ATOM 0 HA LEU A 54 1.661 -2.593 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.947 0.013 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.217 0.153 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 54 2.739 -1.114 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.952 -0.043 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.759 1.117 1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.155 0.473 1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.769 -2.421 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.045 -2.005 0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.431 -2.999 0.382 1.00 0.00 H new ATOM 852 N SER A 55 1.539 -0.454 -3.690 1.00 0.00 N ATOM 853 CA SER A 55 0.746 -0.122 -4.870 1.00 0.00 C ATOM 854 C SER A 55 0.483 -1.369 -5.709 1.00 0.00 C ATOM 855 O SER A 55 -0.639 -1.605 -6.153 1.00 0.00 O ATOM 856 CB SER A 55 1.444 0.939 -5.716 1.00 0.00 C ATOM 857 OG SER A 55 2.854 0.813 -5.637 1.00 0.00 O ATOM 0 H SER A 55 2.376 0.114 -3.561 1.00 0.00 H new ATOM 0 HA SER A 55 -0.208 0.280 -4.529 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.126 0.847 -6.754 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.146 1.931 -5.378 1.00 0.00 H new ATOM 0 HG SER A 55 3.276 1.504 -6.190 1.00 0.00 H new ATOM 863 N ARG A 56 1.523 -2.174 -5.908 1.00 0.00 N ATOM 864 CA ARG A 56 1.398 -3.405 -6.678 1.00 0.00 C ATOM 865 C ARG A 56 0.711 -4.481 -5.847 1.00 0.00 C ATOM 866 O ARG A 56 -0.101 -5.252 -6.356 1.00 0.00 O ATOM 867 CB ARG A 56 2.774 -3.895 -7.135 1.00 0.00 C ATOM 868 CG ARG A 56 3.728 -4.188 -5.991 1.00 0.00 C ATOM 869 CD ARG A 56 4.989 -4.882 -6.482 1.00 0.00 C ATOM 870 NE ARG A 56 4.687 -6.109 -7.214 1.00 0.00 N ATOM 871 CZ ARG A 56 5.603 -6.850 -7.832 1.00 0.00 C ATOM 872 NH1 ARG A 56 6.882 -6.492 -7.810 1.00 0.00 N ATOM 873 NH2 ARG A 56 5.241 -7.952 -8.475 1.00 0.00 N ATOM 0 H ARG A 56 2.460 -1.995 -5.547 1.00 0.00 H new ATOM 0 HA ARG A 56 0.791 -3.198 -7.559 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.648 -4.798 -7.732 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.220 -3.143 -7.785 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.995 -3.257 -5.491 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.230 -4.816 -5.252 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.549 -4.204 -7.126 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.629 -5.115 -5.631 1.00 0.00 H new ATOM 0 HE ARG A 56 3.715 -6.416 -7.254 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.166 -5.645 -7.318 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.580 -7.064 -8.286 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.260 -8.231 -8.496 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.943 -8.520 -8.949 1.00 0.00 H new ATOM 887 N GLY A 57 1.036 -4.518 -4.557 1.00 0.00 N ATOM 888 CA GLY A 57 0.439 -5.491 -3.657 1.00 0.00 C ATOM 889 C GLY A 57 -1.074 -5.493 -3.748 1.00 0.00 C ATOM 890 O GLY A 57 -1.705 -6.545 -3.885 1.00 0.00 O ATOM 0 H GLY A 57 1.706 -3.888 -4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.818 -6.485 -3.894 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.741 -5.271 -2.633 1.00 0.00 H new ATOM 894 N ILE A 58 -1.646 -4.301 -3.671 1.00 0.00 N ATOM 895 CA ILE A 58 -3.087 -4.125 -3.740 1.00 0.00 C ATOM 896 C ILE A 58 -3.647 -4.643 -5.067 1.00 0.00 C ATOM 897 O ILE A 58 -4.449 -5.577 -5.088 1.00 0.00 O ATOM 898 CB ILE A 58 -3.448 -2.632 -3.532 1.00 0.00 C ATOM 899 CG1 ILE A 58 -3.860 -2.389 -2.080 1.00 0.00 C ATOM 900 CG2 ILE A 58 -4.544 -2.168 -4.485 1.00 0.00 C ATOM 901 CD1 ILE A 58 -2.976 -1.394 -1.362 1.00 0.00 C ATOM 0 H ILE A 58 -1.125 -3.431 -3.559 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.544 -4.711 -2.943 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.558 -2.043 -3.756 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.889 -2.031 -2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.840 -3.336 -1.541 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.764 -1.116 -4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.209 -2.295 -5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.444 -2.760 -4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.326 -1.270 -0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.949 -1.760 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.015 -0.434 -1.877 1.00 0.00 H new ATOM 1109 N PRO A 70 -12.831 -5.038 -1.654 1.00 0.00 N ATOM 1110 CA PRO A 70 -13.449 -4.228 -0.608 1.00 0.00 C ATOM 1111 C PRO A 70 -12.829 -2.839 -0.508 1.00 0.00 C ATOM 1112 O PRO A 70 -11.630 -2.669 -0.727 1.00 0.00 O ATOM 1113 CB PRO A 70 -13.193 -5.033 0.667 1.00 0.00 C ATOM 1114 CG PRO A 70 -11.985 -5.865 0.391 1.00 0.00 C ATOM 1115 CD PRO A 70 -11.841 -5.986 -1.109 1.00 0.00 C ATOM 0 HA PRO A 70 -14.506 -4.048 -0.802 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -13.026 -4.373 1.518 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -14.051 -5.659 0.912 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.097 -5.405 0.824 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.088 -6.850 0.846 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.831 -5.734 -1.432 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -12.039 -7.004 -1.446 1.00 0.00 H new ATOM 1123 N SER A 71 -13.656 -1.845 -0.177 1.00 0.00 N ATOM 1124 CA SER A 71 -13.195 -0.461 -0.047 1.00 0.00 C ATOM 1125 C SER A 71 -11.849 -0.396 0.669 1.00 0.00 C ATOM 1126 O SER A 71 -10.999 0.432 0.341 1.00 0.00 O ATOM 1127 CB SER A 71 -14.228 0.373 0.713 1.00 0.00 C ATOM 1128 OG SER A 71 -14.689 -0.311 1.865 1.00 0.00 O ATOM 0 H SER A 71 -14.651 -1.973 0.006 1.00 0.00 H new ATOM 0 HA SER A 71 -13.072 -0.053 -1.050 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.787 1.326 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 71 -15.070 0.598 0.059 1.00 0.00 H new ATOM 0 HG SER A 71 -15.347 0.244 2.334 1.00 0.00 H new ATOM 1134 N SER A 72 -11.659 -1.283 1.643 1.00 0.00 N ATOM 1135 CA SER A 72 -10.411 -1.337 2.402 1.00 0.00 C ATOM 1136 C SER A 72 -9.212 -1.715 1.524 1.00 0.00 C ATOM 1137 O SER A 72 -8.166 -2.118 2.033 1.00 0.00 O ATOM 1138 CB SER A 72 -10.543 -2.323 3.558 1.00 0.00 C ATOM 1139 OG SER A 72 -11.553 -1.914 4.465 1.00 0.00 O ATOM 0 H SER A 72 -12.353 -1.975 1.926 1.00 0.00 H new ATOM 0 HA SER A 72 -10.226 -0.336 2.792 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.778 -3.314 3.170 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.591 -2.404 4.082 1.00 0.00 H new ATOM 0 HG SER A 72 -11.198 -1.219 5.058 1.00 0.00 H new ATOM 1145 N MET A 73 -9.357 -1.564 0.211 1.00 0.00 N ATOM 1146 CA MET A 73 -8.284 -1.863 -0.730 1.00 0.00 C ATOM 1147 C MET A 73 -8.053 -0.666 -1.653 1.00 0.00 C ATOM 1148 O MET A 73 -7.142 -0.664 -2.480 1.00 0.00 O ATOM 1149 CB MET A 73 -8.627 -3.100 -1.557 1.00 0.00 C ATOM 1150 CG MET A 73 -8.109 -4.398 -0.959 1.00 0.00 C ATOM 1151 SD MET A 73 -6.354 -4.655 -1.276 1.00 0.00 S ATOM 1152 CE MET A 73 -5.629 -3.689 0.044 1.00 0.00 C ATOM 0 H MET A 73 -10.216 -1.233 -0.228 1.00 0.00 H new ATOM 0 HA MET A 73 -7.372 -2.063 -0.167 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.710 -3.166 -1.664 1.00 0.00 H new ATOM 0 HB3 MET A 73 -8.215 -2.982 -2.559 1.00 0.00 H new ATOM 0 HG2 MET A 73 -8.283 -4.393 0.117 1.00 0.00 H new ATOM 0 HG3 MET A 73 -8.675 -5.234 -1.370 1.00 0.00 H new ATOM 0 HE1 MET A 73 -4.615 -4.039 0.236 1.00 0.00 H new ATOM 0 HE2 MET A 73 -5.602 -2.639 -0.246 1.00 0.00 H new ATOM 0 HE3 MET A 73 -6.228 -3.800 0.948 1.00 0.00 H new ATOM 1162 N LEU A 74 -8.898 0.350 -1.493 1.00 0.00 N ATOM 1163 CA LEU A 74 -8.830 1.568 -2.281 1.00 0.00 C ATOM 1164 C LEU A 74 -8.337 2.721 -1.424 1.00 0.00 C ATOM 1165 O LEU A 74 -7.746 3.663 -1.925 1.00 0.00 O ATOM 1166 CB LEU A 74 -10.219 1.883 -2.831 1.00 0.00 C ATOM 1167 CG LEU A 74 -10.362 3.228 -3.539 1.00 0.00 C ATOM 1168 CD1 LEU A 74 -9.925 3.114 -4.992 1.00 0.00 C ATOM 1169 CD2 LEU A 74 -11.801 3.717 -3.443 1.00 0.00 C ATOM 0 H LEU A 74 -9.653 0.346 -0.807 1.00 0.00 H new ATOM 0 HA LEU A 74 -8.132 1.428 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.501 1.094 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.932 1.849 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.716 3.956 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.034 4.082 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.882 2.801 -5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -10.546 2.378 -5.502 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.894 4.677 -3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -12.464 2.992 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.077 3.833 -2.395 1.00 0.00 H new ATOM 1181 N THR A 75 -8.578 2.635 -0.126 1.00 0.00 N ATOM 1182 CA THR A 75 -8.146 3.673 0.786 1.00 0.00 C ATOM 1183 C THR A 75 -6.646 3.589 1.005 1.00 0.00 C ATOM 1184 O THR A 75 -5.962 4.607 1.079 1.00 0.00 O ATOM 1185 CB THR A 75 -8.885 3.559 2.110 1.00 0.00 C ATOM 1186 OG1 THR A 75 -10.285 3.653 1.914 1.00 0.00 O ATOM 1187 CG2 THR A 75 -8.488 4.617 3.116 1.00 0.00 C ATOM 0 H THR A 75 -9.069 1.858 0.316 1.00 0.00 H new ATOM 0 HA THR A 75 -8.379 4.642 0.345 1.00 0.00 H new ATOM 0 HB THR A 75 -8.607 2.584 2.509 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.742 3.576 2.777 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.054 4.475 4.036 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.422 4.534 3.329 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.701 5.605 2.708 1.00 0.00 H new ATOM 1195 N ILE A 76 -6.137 2.367 1.099 1.00 0.00 N ATOM 1196 CA ILE A 76 -4.715 2.155 1.304 1.00 0.00 C ATOM 1197 C ILE A 76 -3.930 2.460 0.029 1.00 0.00 C ATOM 1198 O ILE A 76 -3.081 3.350 0.008 1.00 0.00 O ATOM 1199 CB ILE A 76 -4.418 0.710 1.762 1.00 0.00 C ATOM 1200 CG1 ILE A 76 -5.070 0.445 3.122 1.00 0.00 C ATOM 1201 CG2 ILE A 76 -2.916 0.461 1.829 1.00 0.00 C ATOM 1202 CD1 ILE A 76 -6.356 -0.348 3.033 1.00 0.00 C ATOM 0 H ILE A 76 -6.689 1.511 1.036 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.398 2.839 2.091 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.841 0.021 1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -4.364 -0.093 3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.274 1.398 3.610 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.731 -0.563 2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.478 0.614 0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.464 1.154 2.538 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.761 -0.498 4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.079 0.198 2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.155 -1.316 2.574 1.00 0.00 H new ATOM 1214 N TYR A 77 -4.230 1.717 -1.031 1.00 0.00 N ATOM 1215 CA TYR A 77 -3.564 1.904 -2.318 1.00 0.00 C ATOM 1216 C TYR A 77 -3.635 3.356 -2.754 1.00 0.00 C ATOM 1217 O TYR A 77 -2.748 3.865 -3.437 1.00 0.00 O ATOM 1218 CB TYR A 77 -4.234 1.032 -3.377 1.00 0.00 C ATOM 1219 CG TYR A 77 -3.748 1.277 -4.792 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -4.076 2.447 -5.471 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -2.973 0.334 -5.453 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -3.645 2.669 -6.763 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -2.539 0.548 -6.749 1.00 0.00 C ATOM 1224 CZ TYR A 77 -2.877 1.716 -7.398 1.00 0.00 C ATOM 1225 OH TYR A 77 -2.447 1.931 -8.687 1.00 0.00 O ATOM 0 H TYR A 77 -4.932 0.977 -1.025 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.518 1.618 -2.207 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.068 -0.015 -3.125 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.310 1.201 -3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.679 3.195 -4.978 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.704 -0.582 -4.947 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.908 3.584 -7.274 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.938 -0.197 -7.250 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.916 1.164 -8.987 1.00 0.00 H new ATOM 1235 N THR A 78 -4.711 4.014 -2.379 1.00 0.00 N ATOM 1236 CA THR A 78 -4.902 5.396 -2.748 1.00 0.00 C ATOM 1237 C THR A 78 -4.194 6.326 -1.773 1.00 0.00 C ATOM 1238 O THR A 78 -3.821 7.446 -2.123 1.00 0.00 O ATOM 1239 CB THR A 78 -6.387 5.707 -2.818 1.00 0.00 C ATOM 1240 OG1 THR A 78 -7.042 4.805 -3.693 1.00 0.00 O ATOM 1241 CG2 THR A 78 -6.663 7.086 -3.319 1.00 0.00 C ATOM 0 H THR A 78 -5.464 3.613 -1.820 1.00 0.00 H new ATOM 0 HA THR A 78 -4.462 5.560 -3.732 1.00 0.00 H new ATOM 0 HB THR A 78 -6.759 5.614 -1.798 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.327 4.012 -3.192 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.740 7.254 -3.348 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.200 7.814 -2.653 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.251 7.198 -4.322 1.00 0.00 H new ATOM 1249 N GLN A 79 -4.010 5.852 -0.548 1.00 0.00 N ATOM 1250 CA GLN A 79 -3.345 6.634 0.477 1.00 0.00 C ATOM 1251 C GLN A 79 -1.891 6.911 0.114 1.00 0.00 C ATOM 1252 O GLN A 79 -1.406 8.028 0.298 1.00 0.00 O ATOM 1253 CB GLN A 79 -3.417 5.912 1.820 1.00 0.00 C ATOM 1254 CG GLN A 79 -4.637 6.286 2.637 1.00 0.00 C ATOM 1255 CD GLN A 79 -4.378 7.444 3.582 1.00 0.00 C ATOM 1256 OE1 GLN A 79 -4.221 7.251 4.788 1.00 0.00 O ATOM 1257 NE2 GLN A 79 -4.331 8.653 3.037 1.00 0.00 N ATOM 0 H GLN A 79 -4.314 4.927 -0.243 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.862 7.591 0.552 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.421 4.836 1.646 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.519 6.139 2.395 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.453 6.548 1.964 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.963 5.419 3.212 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.467 8.765 2.032 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.159 9.470 3.623 1.00 0.00 H new ATOM 1266 N ILE A 80 -1.184 5.899 -0.396 1.00 0.00 N ATOM 1267 CA ILE A 80 0.201 6.077 -0.759 1.00 0.00 C ATOM 1268 C ILE A 80 0.354 7.075 -1.858 1.00 0.00 C ATOM 1269 O ILE A 80 1.294 7.853 -1.851 1.00 0.00 O ATOM 1270 CB ILE A 80 0.869 4.773 -1.192 1.00 0.00 C ATOM 1271 CG1 ILE A 80 0.293 4.211 -2.505 1.00 0.00 C ATOM 1272 CG2 ILE A 80 0.750 3.788 -0.082 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -0.615 3.015 -2.323 1.00 0.00 C ATOM 0 H ILE A 80 -1.554 4.963 -0.561 1.00 0.00 H new ATOM 0 HA ILE A 80 0.694 6.439 0.143 1.00 0.00 H new ATOM 0 HB ILE A 80 1.919 4.977 -1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.262 5.000 -3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.118 3.930 -3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.222 2.850 -0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.243 4.180 0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.303 3.611 0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.977 2.682 -3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.061 2.207 -1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.462 3.293 -1.696 1.00 0.00 H new ATOM 1285 N GLN A 81 -0.561 7.053 -2.807 1.00 0.00 N ATOM 1286 CA GLN A 81 -0.470 7.979 -3.896 1.00 0.00 C ATOM 1287 C GLN A 81 -0.701 9.390 -3.387 1.00 0.00 C ATOM 1288 O GLN A 81 -0.223 10.357 -3.964 1.00 0.00 O ATOM 1289 CB GLN A 81 -1.450 7.617 -5.009 1.00 0.00 C ATOM 1290 CG GLN A 81 -0.878 6.608 -5.990 1.00 0.00 C ATOM 1291 CD GLN A 81 -1.944 5.797 -6.697 1.00 0.00 C ATOM 1292 OE1 GLN A 81 -3.139 6.052 -6.547 1.00 0.00 O ATOM 1293 NE2 GLN A 81 -1.512 4.812 -7.476 1.00 0.00 N ATOM 0 H GLN A 81 -1.356 6.415 -2.839 1.00 0.00 H new ATOM 0 HA GLN A 81 0.531 7.925 -4.324 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.361 7.212 -4.568 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.732 8.522 -5.548 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.277 7.133 -6.733 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.209 5.932 -5.458 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.511 4.638 -7.570 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.181 4.230 -7.980 1.00 0.00 H new ATOM 1302 N LYS A 82 -1.424 9.490 -2.279 1.00 0.00 N ATOM 1303 CA LYS A 82 -1.705 10.773 -1.667 1.00 0.00 C ATOM 1304 C LYS A 82 -0.501 11.292 -0.929 1.00 0.00 C ATOM 1305 O LYS A 82 -0.135 12.454 -1.057 1.00 0.00 O ATOM 1306 CB LYS A 82 -2.882 10.659 -0.704 1.00 0.00 C ATOM 1307 CG LYS A 82 -4.094 11.433 -1.156 1.00 0.00 C ATOM 1308 CD LYS A 82 -4.942 10.604 -2.104 1.00 0.00 C ATOM 1309 CE LYS A 82 -6.377 10.485 -1.614 1.00 0.00 C ATOM 1310 NZ LYS A 82 -6.951 11.812 -1.258 1.00 0.00 N ATOM 0 H LYS A 82 -1.826 8.692 -1.787 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.958 11.473 -2.463 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.151 9.609 -0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.575 11.017 0.279 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.688 11.724 -0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.780 12.352 -1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.932 11.059 -3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.508 9.609 -2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.988 10.020 -2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.411 9.829 -0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.975 11.807 -1.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.777 12.007 -0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.502 12.551 -1.836 1.00 0.00 H new ATOM 1324 N ASP A 83 0.129 10.417 -0.178 1.00 0.00 N ATOM 1325 CA ASP A 83 1.313 10.791 0.557 1.00 0.00 C ATOM 1326 C ASP A 83 2.428 10.967 -0.441 1.00 0.00 C ATOM 1327 O ASP A 83 3.245 11.882 -0.353 1.00 0.00 O ATOM 1328 CB ASP A 83 1.684 9.717 1.576 1.00 0.00 C ATOM 1329 CG ASP A 83 0.562 9.432 2.556 1.00 0.00 C ATOM 1330 OD1 ASP A 83 -0.598 9.780 2.247 1.00 0.00 O ATOM 1331 OD2 ASP A 83 0.843 8.863 3.631 1.00 0.00 O ATOM 0 H ASP A 83 -0.158 9.445 -0.061 1.00 0.00 H new ATOM 0 HA ASP A 83 1.136 11.715 1.107 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.946 8.798 1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.570 10.033 2.126 1.00 0.00 H new ATOM 1336 N ILE A 84 2.416 10.074 -1.415 1.00 0.00 N ATOM 1337 CA ILE A 84 3.378 10.089 -2.482 1.00 0.00 C ATOM 1338 C ILE A 84 3.245 11.388 -3.281 1.00 0.00 C ATOM 1339 O ILE A 84 4.214 12.130 -3.439 1.00 0.00 O ATOM 1340 CB ILE A 84 3.168 8.868 -3.415 1.00 0.00 C ATOM 1341 CG1 ILE A 84 4.063 7.695 -3.031 1.00 0.00 C ATOM 1342 CG2 ILE A 84 3.447 9.274 -4.831 1.00 0.00 C ATOM 1343 CD1 ILE A 84 4.319 7.590 -1.558 1.00 0.00 C ATOM 0 H ILE A 84 1.733 9.319 -1.481 1.00 0.00 H new ATOM 0 HA ILE A 84 4.379 10.032 -2.055 1.00 0.00 H new ATOM 0 HB ILE A 84 2.134 8.539 -3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.603 6.770 -3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.016 7.791 -3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.301 8.418 -5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.767 10.076 -5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.476 9.623 -4.913 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.963 6.733 -1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.808 8.499 -1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.373 7.462 -1.032 1.00 0.00 H new ATOM 1355 N LYS A 85 2.036 11.655 -3.788 1.00 0.00 N ATOM 1356 CA LYS A 85 1.790 12.857 -4.570 1.00 0.00 C ATOM 1357 C LYS A 85 1.844 14.103 -3.708 1.00 0.00 C ATOM 1358 O LYS A 85 2.232 15.176 -4.171 1.00 0.00 O ATOM 1359 CB LYS A 85 0.428 12.796 -5.260 1.00 0.00 C ATOM 1360 CG LYS A 85 0.526 12.881 -6.768 1.00 0.00 C ATOM 1361 CD LYS A 85 1.418 11.780 -7.308 1.00 0.00 C ATOM 1362 CE LYS A 85 0.947 10.418 -6.840 1.00 0.00 C ATOM 1363 NZ LYS A 85 1.774 9.315 -7.405 1.00 0.00 N ATOM 0 H LYS A 85 1.221 11.054 -3.668 1.00 0.00 H new ATOM 0 HA LYS A 85 2.578 12.908 -5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.071 11.867 -4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.195 13.612 -4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.468 12.799 -7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.924 13.854 -7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.422 11.812 -8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.444 11.946 -6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.983 10.377 -5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.094 10.275 -7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.630 8.451 -6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.492 9.139 -8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.778 9.584 -7.375 1.00 0.00 H new ATOM 1377 N ASN A 86 1.427 13.963 -2.463 1.00 0.00 N ATOM 1378 CA ASN A 86 1.404 15.101 -1.553 1.00 0.00 C ATOM 1379 C ASN A 86 2.805 15.486 -1.090 1.00 0.00 C ATOM 1380 O ASN A 86 2.997 16.550 -0.501 1.00 0.00 O ATOM 1381 CB ASN A 86 0.514 14.818 -0.340 1.00 0.00 C ATOM 1382 CG ASN A 86 0.428 16.001 0.606 1.00 0.00 C ATOM 1383 OD1 ASN A 86 1.096 16.034 1.641 1.00 0.00 O ATOM 1384 ND2 ASN A 86 -0.400 16.979 0.257 1.00 0.00 N ATOM 0 H ASN A 86 1.102 13.084 -2.059 1.00 0.00 H new ATOM 0 HA ASN A 86 0.988 15.941 -2.109 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -0.488 14.556 -0.681 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.903 13.954 0.198 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.502 17.799 0.855 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.934 16.910 -0.609 1.00 0.00 H new ATOM 1391 N GLY A 87 3.780 14.620 -1.340 1.00 0.00 N ATOM 1392 CA GLY A 87 5.134 14.909 -0.916 1.00 0.00 C ATOM 1393 C GLY A 87 5.321 14.609 0.552 1.00 0.00 C ATOM 1394 O GLY A 87 6.032 15.321 1.260 1.00 0.00 O ATOM 0 H GLY A 87 3.658 13.731 -1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.836 14.317 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.362 15.957 -1.108 1.00 0.00 H new ATOM 1398 N ASN A 88 4.689 13.532 0.999 1.00 0.00 N ATOM 1399 CA ASN A 88 4.786 13.098 2.373 1.00 0.00 C ATOM 1400 C ASN A 88 5.798 11.972 2.446 1.00 0.00 C ATOM 1401 O ASN A 88 6.428 11.734 3.476 1.00 0.00 O ATOM 1402 CB ASN A 88 3.419 12.637 2.887 1.00 0.00 C ATOM 1403 CG ASN A 88 2.899 13.508 4.014 1.00 0.00 C ATOM 1404 OD1 ASN A 88 3.630 14.333 4.563 1.00 0.00 O ATOM 1405 ND2 ASN A 88 1.631 13.329 4.364 1.00 0.00 N ATOM 0 H ASN A 88 4.098 12.940 0.415 1.00 0.00 H new ATOM 0 HA ASN A 88 5.111 13.925 3.004 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.703 12.646 2.065 1.00 0.00 H new ATOM 0 HB3 ASN A 88 3.493 11.606 3.233 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.226 13.887 5.116 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.062 12.634 3.881 1.00 0.00 H new ATOM 1412 N ILE A 89 5.948 11.299 1.312 1.00 0.00 N ATOM 1413 CA ILE A 89 6.861 10.218 1.155 1.00 0.00 C ATOM 1414 C ILE A 89 8.019 10.690 0.308 1.00 0.00 C ATOM 1415 O ILE A 89 7.813 11.362 -0.702 1.00 0.00 O ATOM 1416 CB ILE A 89 6.139 9.091 0.427 1.00 0.00 C ATOM 1417 CG1 ILE A 89 4.881 8.651 1.184 1.00 0.00 C ATOM 1418 CG2 ILE A 89 7.077 7.948 0.222 1.00 0.00 C ATOM 1419 CD1 ILE A 89 5.016 8.696 2.689 1.00 0.00 C ATOM 0 H ILE A 89 5.417 11.509 0.467 1.00 0.00 H new ATOM 0 HA ILE A 89 7.224 9.872 2.123 1.00 0.00 H new ATOM 0 HB ILE A 89 5.811 9.456 -0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.049 9.289 0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.627 7.635 0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.560 7.142 -0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.928 8.278 -0.374 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.429 7.588 1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.083 8.370 3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.825 8.035 3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.238 9.716 3.004 1.00 0.00 H new ATOM 1431 N ASP A 90 9.231 10.343 0.701 1.00 0.00 N ATOM 1432 CA ASP A 90 10.385 10.748 -0.069 1.00 0.00 C ATOM 1433 C ASP A 90 10.402 9.952 -1.349 1.00 0.00 C ATOM 1434 O ASP A 90 11.246 9.080 -1.557 1.00 0.00 O ATOM 1435 CB ASP A 90 11.674 10.561 0.724 1.00 0.00 C ATOM 1436 CG ASP A 90 12.221 11.871 1.257 1.00 0.00 C ATOM 1437 OD1 ASP A 90 11.442 12.842 1.362 1.00 0.00 O ATOM 1438 OD2 ASP A 90 13.429 11.926 1.572 1.00 0.00 O ATOM 0 H ASP A 90 9.437 9.792 1.534 1.00 0.00 H new ATOM 0 HA ASP A 90 10.319 11.811 -0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.490 9.882 1.557 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.423 10.090 0.088 1.00 0.00 H new ATOM 1443 N THR A 91 9.430 10.258 -2.196 1.00 0.00 N ATOM 1444 CA THR A 91 9.277 9.580 -3.457 1.00 0.00 C ATOM 1445 C THR A 91 10.537 9.661 -4.283 1.00 0.00 C ATOM 1446 O THR A 91 10.693 8.923 -5.233 1.00 0.00 O ATOM 1447 CB THR A 91 8.094 10.134 -4.234 1.00 0.00 C ATOM 1448 OG1 THR A 91 7.533 11.265 -3.590 1.00 0.00 O ATOM 1449 CG2 THR A 91 7.010 9.115 -4.417 1.00 0.00 C ATOM 0 H THR A 91 8.732 10.981 -2.022 1.00 0.00 H new ATOM 0 HA THR A 91 9.084 8.529 -3.241 1.00 0.00 H new ATOM 0 HB THR A 91 8.488 10.419 -5.210 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.776 11.598 -4.115 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.186 9.557 -4.977 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.404 8.259 -4.965 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.651 8.787 -3.442 1.00 0.00 H new ATOM 1457 N GLU A 92 11.455 10.530 -3.911 1.00 0.00 N ATOM 1458 CA GLU A 92 12.701 10.614 -4.635 1.00 0.00 C ATOM 1459 C GLU A 92 13.488 9.350 -4.356 1.00 0.00 C ATOM 1460 O GLU A 92 14.259 8.875 -5.183 1.00 0.00 O ATOM 1461 CB GLU A 92 13.503 11.846 -4.215 1.00 0.00 C ATOM 1462 CG GLU A 92 12.642 13.014 -3.757 1.00 0.00 C ATOM 1463 CD GLU A 92 13.129 14.346 -4.292 1.00 0.00 C ATOM 1464 OE1 GLU A 92 13.599 14.386 -5.449 1.00 0.00 O ATOM 1465 OE2 GLU A 92 13.041 15.350 -3.555 1.00 0.00 O ATOM 0 H GLU A 92 11.363 11.175 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 92 12.500 10.710 -5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.181 11.568 -3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.120 12.169 -5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.614 12.851 -4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.631 13.047 -2.668 1.00 0.00 H new ATOM 1472 N LYS A 93 13.262 8.806 -3.173 1.00 0.00 N ATOM 1473 CA LYS A 93 13.917 7.592 -2.750 1.00 0.00 C ATOM 1474 C LYS A 93 13.159 6.375 -3.225 1.00 0.00 C ATOM 1475 O LYS A 93 13.749 5.334 -3.513 1.00 0.00 O ATOM 1476 CB LYS A 93 14.045 7.569 -1.230 1.00 0.00 C ATOM 1477 CG LYS A 93 14.513 8.888 -0.641 1.00 0.00 C ATOM 1478 CD LYS A 93 14.552 8.845 0.880 1.00 0.00 C ATOM 1479 CE LYS A 93 13.278 8.260 1.475 1.00 0.00 C ATOM 1480 NZ LYS A 93 13.477 6.860 1.930 1.00 0.00 N ATOM 0 H LYS A 93 12.620 9.197 -2.484 1.00 0.00 H new ATOM 0 HA LYS A 93 14.912 7.569 -3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.080 7.309 -0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.745 6.784 -0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.506 9.125 -1.024 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.847 9.688 -0.965 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.407 8.251 1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.701 9.853 1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.954 8.873 2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.481 8.291 0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.555 6.434 2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.937 6.312 1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.078 6.853 2.779 1.00 0.00 H new ATOM 1494 N LEU A 94 11.852 6.510 -3.313 1.00 0.00 N ATOM 1495 CA LEU A 94 11.020 5.424 -3.761 1.00 0.00 C ATOM 1496 C LEU A 94 10.972 5.402 -5.282 1.00 0.00 C ATOM 1497 O LEU A 94 10.890 4.338 -5.894 1.00 0.00 O ATOM 1498 CB LEU A 94 9.645 5.542 -3.116 1.00 0.00 C ATOM 1499 CG LEU A 94 8.562 6.137 -3.976 1.00 0.00 C ATOM 1500 CD1 LEU A 94 8.102 5.145 -5.032 1.00 0.00 C ATOM 1501 CD2 LEU A 94 7.409 6.570 -3.088 1.00 0.00 C ATOM 0 H LEU A 94 11.347 7.364 -3.079 1.00 0.00 H new ATOM 0 HA LEU A 94 11.437 4.466 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.327 4.548 -2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.739 6.147 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 94 8.953 7.008 -4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.319 5.598 -5.641 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.945 4.874 -5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.712 4.251 -4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.619 7.003 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.019 5.705 -2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.760 7.313 -2.372 1.00 0.00 H new ATOM 1513 N ARG A 95 11.057 6.580 -5.892 1.00 0.00 N ATOM 1514 CA ARG A 95 11.057 6.685 -7.321 1.00 0.00 C ATOM 1515 C ARG A 95 12.400 6.288 -7.875 1.00 0.00 C ATOM 1516 O ARG A 95 12.474 5.618 -8.895 1.00 0.00 O ATOM 1517 CB ARG A 95 10.723 8.100 -7.765 1.00 0.00 C ATOM 1518 CG ARG A 95 9.798 8.118 -8.946 1.00 0.00 C ATOM 1519 CD ARG A 95 10.437 8.772 -10.162 1.00 0.00 C ATOM 1520 NE ARG A 95 10.072 10.182 -10.281 1.00 0.00 N ATOM 1521 CZ ARG A 95 8.830 10.613 -10.492 1.00 0.00 C ATOM 1522 NH1 ARG A 95 7.831 9.748 -10.612 1.00 0.00 N ATOM 1523 NH2 ARG A 95 8.588 11.913 -10.584 1.00 0.00 N ATOM 0 H ARG A 95 11.127 7.472 -5.403 1.00 0.00 H new ATOM 0 HA ARG A 95 10.293 6.009 -7.705 1.00 0.00 H new ATOM 0 HB2 ARG A 95 10.264 8.640 -6.937 1.00 0.00 H new ATOM 0 HB3 ARG A 95 11.643 8.627 -8.018 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.508 7.097 -9.194 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.886 8.654 -8.684 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.521 8.683 -10.094 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.130 8.241 -11.063 1.00 0.00 H new ATOM 0 HE ARG A 95 10.813 10.878 -10.197 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.012 8.747 -10.543 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.882 10.084 -10.774 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.353 12.582 -10.493 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.637 12.245 -10.746 1.00 0.00 H new ATOM 1537 N LYS A 96 13.461 6.685 -7.182 1.00 0.00 N ATOM 1538 CA LYS A 96 14.799 6.340 -7.620 1.00 0.00 C ATOM 1539 C LYS A 96 15.045 4.869 -7.345 1.00 0.00 C ATOM 1540 O LYS A 96 15.860 4.219 -7.999 1.00 0.00 O ATOM 1541 CB LYS A 96 15.857 7.200 -6.913 1.00 0.00 C ATOM 1542 CG LYS A 96 15.903 8.663 -7.350 1.00 0.00 C ATOM 1543 CD LYS A 96 15.335 8.875 -8.741 1.00 0.00 C ATOM 1544 CE LYS A 96 16.293 8.383 -9.814 1.00 0.00 C ATOM 1545 NZ LYS A 96 17.646 8.991 -9.673 1.00 0.00 N ATOM 0 H LYS A 96 13.418 7.239 -6.326 1.00 0.00 H new ATOM 0 HA LYS A 96 14.881 6.535 -8.689 1.00 0.00 H new ATOM 0 HB2 LYS A 96 15.673 7.164 -5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 96 16.837 6.755 -7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.344 9.269 -6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 96 16.935 9.013 -7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.385 8.349 -8.831 1.00 0.00 H new ATOM 0 HD3 LYS A 96 15.129 9.934 -8.894 1.00 0.00 H new ATOM 0 HE2 LYS A 96 16.375 7.298 -9.757 1.00 0.00 H new ATOM 0 HE3 LYS A 96 15.889 8.621 -10.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 18.057 9.145 -10.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 17.567 9.901 -9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 18.259 8.351 -9.128 1.00 0.00 H new ATOM 1559 N TYR A 97 14.313 4.357 -6.367 1.00 0.00 N ATOM 1560 CA TYR A 97 14.403 2.972 -5.975 1.00 0.00 C ATOM 1561 C TYR A 97 13.698 2.084 -6.993 1.00 0.00 C ATOM 1562 O TYR A 97 14.216 1.042 -7.383 1.00 0.00 O ATOM 1563 CB TYR A 97 13.781 2.812 -4.585 1.00 0.00 C ATOM 1564 CG TYR A 97 13.161 1.466 -4.327 1.00 0.00 C ATOM 1565 CD1 TYR A 97 13.900 0.300 -4.470 1.00 0.00 C ATOM 1566 CD2 TYR A 97 11.835 1.363 -3.938 1.00 0.00 C ATOM 1567 CE1 TYR A 97 13.334 -0.935 -4.232 1.00 0.00 C ATOM 1568 CE2 TYR A 97 11.263 0.133 -3.700 1.00 0.00 C ATOM 1569 CZ TYR A 97 12.015 -1.013 -3.847 1.00 0.00 C ATOM 1570 OH TYR A 97 11.444 -2.241 -3.607 1.00 0.00 O ATOM 0 H TYR A 97 13.639 4.898 -5.825 1.00 0.00 H new ATOM 0 HA TYR A 97 15.448 2.665 -5.939 1.00 0.00 H new ATOM 0 HB2 TYR A 97 14.550 2.993 -3.834 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.019 3.580 -4.452 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.935 0.361 -4.773 1.00 0.00 H new ATOM 0 HD2 TYR A 97 11.243 2.258 -3.820 1.00 0.00 H new ATOM 0 HE1 TYR A 97 13.921 -1.834 -4.347 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.228 0.066 -3.399 1.00 0.00 H new ATOM 0 HH TYR A 97 10.468 -2.161 -3.644 1.00 0.00 H new ATOM 1580 N GLU A 98 12.520 2.515 -7.430 1.00 0.00 N ATOM 1581 CA GLU A 98 11.749 1.765 -8.408 1.00 0.00 C ATOM 1582 C GLU A 98 12.512 1.682 -9.715 1.00 0.00 C ATOM 1583 O GLU A 98 12.383 0.714 -10.463 1.00 0.00 O ATOM 1584 CB GLU A 98 10.384 2.418 -8.630 1.00 0.00 C ATOM 1585 CG GLU A 98 9.371 2.089 -7.545 1.00 0.00 C ATOM 1586 CD GLU A 98 7.943 2.355 -7.980 1.00 0.00 C ATOM 1587 OE1 GLU A 98 7.554 3.540 -8.050 1.00 0.00 O ATOM 1588 OE2 GLU A 98 7.212 1.379 -8.250 1.00 0.00 O ATOM 0 H GLU A 98 12.080 3.381 -7.120 1.00 0.00 H new ATOM 0 HA GLU A 98 11.589 0.756 -8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.511 3.499 -8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.989 2.097 -9.594 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.472 1.041 -7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.592 2.679 -6.656 1.00 0.00 H new ATOM 1595 N ILE A 99 13.326 2.698 -9.975 1.00 0.00 N ATOM 1596 CA ILE A 99 14.126 2.722 -11.181 1.00 0.00 C ATOM 1597 C ILE A 99 15.137 1.599 -11.136 1.00 0.00 C ATOM 1598 O ILE A 99 15.254 0.795 -12.060 1.00 0.00 O ATOM 1599 CB ILE A 99 14.873 4.053 -11.353 1.00 0.00 C ATOM 1600 CG1 ILE A 99 13.948 5.215 -11.025 1.00 0.00 C ATOM 1601 CG2 ILE A 99 15.423 4.168 -12.761 1.00 0.00 C ATOM 1602 CD1 ILE A 99 14.524 6.576 -11.339 1.00 0.00 C ATOM 0 H ILE A 99 13.445 3.509 -9.368 1.00 0.00 H new ATOM 0 HA ILE A 99 13.448 2.601 -12.026 1.00 0.00 H new ATOM 0 HB ILE A 99 15.715 4.084 -10.661 1.00 0.00 H new ATOM 0 HG12 ILE A 99 13.017 5.091 -11.579 1.00 0.00 H new ATOM 0 HG13 ILE A 99 13.696 5.176 -9.965 1.00 0.00 H new ATOM 0 HG21 ILE A 99 15.950 5.116 -12.869 1.00 0.00 H new ATOM 0 HG22 ILE A 99 16.113 3.346 -12.950 1.00 0.00 H new ATOM 0 HG23 ILE A 99 14.602 4.125 -13.477 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.800 7.347 -11.075 1.00 0.00 H new ATOM 0 HD12 ILE A 99 15.439 6.725 -10.765 1.00 0.00 H new ATOM 0 HD13 ILE A 99 14.749 6.639 -12.404 1.00 0.00 H new ATOM 1614 N ALA A 100 15.850 1.556 -10.027 1.00 0.00 N ATOM 1615 CA ALA A 100 16.857 0.534 -9.794 1.00 0.00 C ATOM 1616 C ALA A 100 16.234 -0.849 -9.724 1.00 0.00 C ATOM 1617 O ALA A 100 16.934 -1.861 -9.752 1.00 0.00 O ATOM 1618 CB ALA A 100 17.636 0.838 -8.524 1.00 0.00 C ATOM 0 H ALA A 100 15.750 2.225 -9.264 1.00 0.00 H new ATOM 0 HA ALA A 100 17.548 0.543 -10.637 1.00 0.00 H new ATOM 0 HB1 ALA A 100 18.386 0.064 -8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 100 18.128 1.806 -8.622 1.00 0.00 H new ATOM 0 HB3 ALA A 100 16.953 0.863 -7.675 1.00 0.00 H new ATOM 1624 N LYS A 101 14.920 -0.881 -9.633 1.00 0.00 N ATOM 1625 CA LYS A 101 14.193 -2.119 -9.560 1.00 0.00 C ATOM 1626 C LYS A 101 13.615 -2.484 -10.921 1.00 0.00 C ATOM 1627 O LYS A 101 13.607 -3.647 -11.325 1.00 0.00 O ATOM 1628 CB LYS A 101 13.086 -1.968 -8.545 1.00 0.00 C ATOM 1629 CG LYS A 101 13.587 -1.761 -7.130 1.00 0.00 C ATOM 1630 CD LYS A 101 14.647 -2.770 -6.735 1.00 0.00 C ATOM 1631 CE LYS A 101 14.094 -4.184 -6.700 1.00 0.00 C ATOM 1632 NZ LYS A 101 14.243 -4.871 -8.011 1.00 0.00 N ATOM 0 H LYS A 101 14.332 -0.048 -9.608 1.00 0.00 H new ATOM 0 HA LYS A 101 14.867 -2.920 -9.258 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.458 -1.123 -8.827 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.455 -2.857 -8.572 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.995 -0.755 -7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.748 -1.830 -6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.476 -2.721 -7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.047 -2.512 -5.755 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.610 -4.757 -5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.040 -4.155 -6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.196 -5.900 -7.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.477 -4.573 -8.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.160 -4.620 -8.432 1.00 0.00 H new ATOM 1646 N GLY A 102 13.133 -1.464 -11.613 1.00 0.00 N ATOM 1647 CA GLY A 102 12.545 -1.643 -12.929 1.00 0.00 C ATOM 1648 C GLY A 102 11.050 -1.887 -12.870 1.00 0.00 C ATOM 1649 O GLY A 102 10.458 -2.389 -13.826 1.00 0.00 O ATOM 0 H GLY A 102 13.138 -0.499 -11.282 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.742 -0.758 -13.534 1.00 0.00 H new ATOM 0 HA3 GLY A 102 13.027 -2.484 -13.427 1.00 0.00 H new ATOM 1653 N LEU A 103 10.436 -1.527 -11.744 1.00 0.00 N ATOM 1654 CA LEU A 103 8.999 -1.704 -11.565 1.00 0.00 C ATOM 1655 C LEU A 103 8.273 -0.363 -11.566 1.00 0.00 C ATOM 1656 O LEU A 103 7.281 -0.181 -10.859 1.00 0.00 O ATOM 1657 CB LEU A 103 8.707 -2.463 -10.268 1.00 0.00 C ATOM 1658 CG LEU A 103 9.819 -2.409 -9.224 1.00 0.00 C ATOM 1659 CD1 LEU A 103 9.923 -1.014 -8.630 1.00 0.00 C ATOM 1660 CD2 LEU A 103 9.578 -3.441 -8.133 1.00 0.00 C ATOM 0 H LEU A 103 10.912 -1.111 -10.943 1.00 0.00 H new ATOM 0 HA LEU A 103 8.629 -2.291 -12.406 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.795 -2.060 -9.827 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.509 -3.507 -10.512 1.00 0.00 H new ATOM 0 HG LEU A 103 10.764 -2.645 -9.714 1.00 0.00 H new ATOM 0 HD11 LEU A 103 10.721 -0.993 -7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 103 10.145 -0.297 -9.421 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.978 -0.749 -8.155 1.00 0.00 H new ATOM 0 HD21 LEU A 103 10.381 -3.388 -7.398 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.625 -3.238 -7.645 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.555 -4.438 -8.574 1.00 0.00 H new