USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1001 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 70 TYR OH : rot -114:sc= -0.761 USER MOD Set 1.2: A 87 GLN : amide:sc= -2.81 K(o=-3.6,f=-2.5) USER MOD Set 2.1: A 56 ASN : amide:sc= 0 X(o=-2.3,f=-2.6) USER MOD Set 2.2: A 106 GLN : amide:sc= -2.3! C(o=-2.3!,f=-3.2!) USER MOD Single : A 1 ALA N :NH3+ 131:sc= 0.121 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.211) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.63 K(o=-1.6,f=-2.6) USER MOD Single : A 27 GLN : amide:sc= -0.0171 K(o=-0.017,f=-2.3!) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc=-0.00851 (180deg=-0.157) USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.00255 USER MOD Single : A 35 THR OG1 : rot 155:sc= -0.165 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -96:sc= 1.33 USER MOD Single : A 42 HIS : no HD1:sc= -2.67 K(o=-2.7,f=-5!) USER MOD Single : A 44 TYR OH : rot -43:sc= -0.445 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 165:sc= -0.379 USER MOD Single : A 74 LYS NZ :NH3+ -176:sc= -0.953 (180deg=-1) USER MOD Single : A 75 ASN : amide:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -161:sc= -0.129 (180deg=-0.659) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0806 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 170:sc= 0.713 USER MOD Single : A 98 TYR OH : rot -174:sc= -0.102 USER MOD Single : A 100 ASN : amide:sc= -6.75! C(o=-6.7!,f=-2!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= -0.0247 USER MOD Single : A 111 MET CE :methyl -151:sc= -1.67 (180deg=-2.34!) USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 113 HIS : no HD1:sc= -7.17! C(o=-7.2!,f=-16!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -123:sc= -1.01 (180deg=-2.02!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc=-0.00632 K(o=-0.0063,f=-1.1) USER MOD Single : A 120 ASN : amide:sc= -0.455 K(o=-0.45,f=-4.3!) USER MOD Single : A 121 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.11) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.705 11.754 3.979 1.00 0.00 N ATOM 2 CA ALA A 1 -14.644 11.708 2.506 1.00 0.00 C ATOM 3 C ALA A 1 -13.889 10.460 2.060 1.00 0.00 C ATOM 4 O ALA A 1 -13.079 9.979 2.838 1.00 0.00 O ATOM 5 CB ALA A 1 -14.008 12.987 1.940 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.413 12.696 4.309 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.678 11.564 4.292 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.067 11.035 4.376 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.658 11.655 2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.975 12.926 0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.602 13.851 2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.995 13.092 2.328 1.00 0.00 H new ATOM 13 N PRO A 2 -14.181 9.934 0.859 1.00 0.00 N ATOM 14 CA PRO A 2 -13.486 8.779 0.287 1.00 0.00 C ATOM 15 C PRO A 2 -12.028 9.088 -0.088 1.00 0.00 C ATOM 16 O PRO A 2 -11.154 8.230 0.004 1.00 0.00 O ATOM 17 CB PRO A 2 -14.316 8.397 -0.946 1.00 0.00 C ATOM 18 CG PRO A 2 -14.993 9.700 -1.366 1.00 0.00 C ATOM 19 CD PRO A 2 -15.203 10.436 -0.049 1.00 0.00 C ATOM 0 HA PRO A 2 -13.413 7.965 1.008 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.686 8.002 -1.743 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -15.050 7.627 -0.708 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.368 10.274 -2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -15.938 9.514 -1.876 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -15.109 11.513 -0.185 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -16.202 10.251 0.347 1.00 0.00 H new ATOM 27 N ILE A 3 -11.765 10.337 -0.462 1.00 0.00 N ATOM 28 CA ILE A 3 -10.431 10.802 -0.806 1.00 0.00 C ATOM 29 C ILE A 3 -9.664 11.136 0.469 1.00 0.00 C ATOM 30 O ILE A 3 -10.091 11.989 1.250 1.00 0.00 O ATOM 31 CB ILE A 3 -10.481 11.982 -1.800 1.00 0.00 C ATOM 32 CG1 ILE A 3 -9.064 12.375 -2.278 1.00 0.00 C ATOM 33 CG2 ILE A 3 -11.178 13.215 -1.198 1.00 0.00 C ATOM 34 CD1 ILE A 3 -8.431 11.361 -3.229 1.00 0.00 C ATOM 0 H ILE A 3 -12.481 11.060 -0.534 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.894 10.005 -1.321 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.065 11.640 -2.654 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.114 13.344 -2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.418 12.496 -1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.190 14.021 -1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.201 12.957 -0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.637 13.542 -0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.439 11.706 -3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.347 10.396 -2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.054 11.257 -4.117 1.00 0.00 H new ATOM 46 N VAL A 4 -8.544 10.460 0.668 1.00 0.00 N ATOM 47 CA VAL A 4 -7.630 10.690 1.783 1.00 0.00 C ATOM 48 C VAL A 4 -6.253 11.106 1.293 1.00 0.00 C ATOM 49 O VAL A 4 -6.050 11.282 0.084 1.00 0.00 O ATOM 50 CB VAL A 4 -7.604 9.461 2.705 1.00 0.00 C ATOM 51 CG1 VAL A 4 -8.908 9.350 3.488 1.00 0.00 C ATOM 52 CG2 VAL A 4 -7.302 8.132 2.015 1.00 0.00 C ATOM 0 H VAL A 4 -8.234 9.715 0.043 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.994 11.527 2.378 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.764 9.639 3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.870 8.474 4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.045 10.244 4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.742 9.252 2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.307 7.330 2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.061 7.934 1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.322 8.183 1.541 1.00 0.00 H new ATOM 62 N THR A 5 -5.319 11.336 2.220 1.00 0.00 N ATOM 63 CA THR A 5 -3.927 11.668 1.921 1.00 0.00 C ATOM 64 C THR A 5 -2.940 11.211 2.995 1.00 0.00 C ATOM 65 O THR A 5 -3.043 11.580 4.153 1.00 0.00 O ATOM 66 CB THR A 5 -3.706 13.154 1.626 1.00 0.00 C ATOM 67 OG1 THR A 5 -4.242 14.048 2.565 1.00 0.00 O ATOM 68 CG2 THR A 5 -4.369 13.575 0.323 1.00 0.00 C ATOM 0 H THR A 5 -5.516 11.295 3.220 1.00 0.00 H new ATOM 0 HA THR A 5 -3.721 11.103 1.012 1.00 0.00 H new ATOM 0 HB THR A 5 -2.618 13.218 1.620 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.047 14.968 2.289 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.189 14.636 0.149 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.951 12.997 -0.501 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.442 13.394 0.386 1.00 0.00 H new ATOM 76 N CYS A 6 -1.913 10.449 2.616 1.00 0.00 N ATOM 77 CA CYS A 6 -0.935 9.969 3.599 1.00 0.00 C ATOM 78 C CYS A 6 -0.197 11.155 4.246 1.00 0.00 C ATOM 79 O CYS A 6 -0.228 12.264 3.703 1.00 0.00 O ATOM 80 CB CYS A 6 0.037 9.002 2.931 1.00 0.00 C ATOM 81 SG CYS A 6 -0.742 7.757 1.882 1.00 0.00 S ATOM 0 H CYS A 6 -1.736 10.154 1.656 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.455 9.434 4.393 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.743 9.575 2.329 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.615 8.496 3.705 1.00 0.00 H new ATOM 86 N ARG A 7 0.564 10.921 5.321 1.00 0.00 N ATOM 87 CA ARG A 7 1.386 11.938 6.001 1.00 0.00 C ATOM 88 C ARG A 7 2.901 11.641 5.907 1.00 0.00 C ATOM 89 O ARG A 7 3.616 11.713 6.907 1.00 0.00 O ATOM 90 CB ARG A 7 0.865 12.061 7.436 1.00 0.00 C ATOM 91 CG ARG A 7 1.347 13.342 8.120 1.00 0.00 C ATOM 92 CD ARG A 7 0.966 13.328 9.596 1.00 0.00 C ATOM 93 NE ARG A 7 -0.486 13.461 9.791 1.00 0.00 N ATOM 94 CZ ARG A 7 -1.136 14.599 9.804 1.00 0.00 C ATOM 95 NH1 ARG A 7 -0.508 15.737 9.633 1.00 0.00 N ATOM 96 NH2 ARG A 7 -2.422 14.604 9.987 1.00 0.00 N ATOM 0 H ARG A 7 0.630 10.000 5.755 1.00 0.00 H new ATOM 0 HA ARG A 7 1.288 12.902 5.502 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.225 12.044 7.427 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.193 11.197 8.015 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.428 13.433 8.017 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.906 14.211 7.632 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.309 12.399 10.050 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.477 14.142 10.110 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.026 12.606 9.926 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.501 15.746 9.487 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.029 16.614 9.646 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.922 13.725 10.120 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.932 15.487 9.998 1.00 0.00 H new ATOM 110 N PRO A 8 3.431 11.347 4.708 1.00 0.00 N ATOM 111 CA PRO A 8 4.836 11.023 4.510 1.00 0.00 C ATOM 112 C PRO A 8 5.704 12.258 4.622 1.00 0.00 C ATOM 113 O PRO A 8 5.221 13.390 4.621 1.00 0.00 O ATOM 114 CB PRO A 8 4.924 10.435 3.106 1.00 0.00 C ATOM 115 CG PRO A 8 3.769 11.085 2.380 1.00 0.00 C ATOM 116 CD PRO A 8 2.725 11.187 3.463 1.00 0.00 C ATOM 0 HA PRO A 8 5.193 10.326 5.269 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.878 10.667 2.632 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.830 9.349 3.119 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.038 12.063 1.981 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.426 10.482 1.540 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.063 12.034 3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.101 10.293 3.484 1.00 0.00 H new ATOM 124 N LYS A 9 7.021 12.053 4.642 1.00 0.00 N ATOM 125 CA LYS A 9 8.010 13.120 4.761 1.00 0.00 C ATOM 126 C LYS A 9 8.754 13.350 3.458 1.00 0.00 C ATOM 127 O LYS A 9 9.429 12.466 2.937 1.00 0.00 O ATOM 128 CB LYS A 9 8.963 12.801 5.910 1.00 0.00 C ATOM 129 CG LYS A 9 9.484 14.085 6.565 1.00 0.00 C ATOM 130 CD LYS A 9 10.049 13.783 7.957 1.00 0.00 C ATOM 131 CE LYS A 9 11.398 13.064 7.869 1.00 0.00 C ATOM 132 NZ LYS A 9 12.507 14.033 7.726 1.00 0.00 N ATOM 0 H LYS A 9 7.436 11.124 4.575 1.00 0.00 H new ATOM 0 HA LYS A 9 7.493 14.053 4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.450 12.191 6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.802 12.212 5.539 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.258 14.531 5.940 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.678 14.814 6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.166 14.713 8.513 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.342 13.167 8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.551 12.460 8.763 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.395 12.381 7.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.414 13.546 7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.486 14.447 6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.402 14.788 8.433 1.00 0.00 H new ATOM 146 N LEU A 10 8.681 14.571 2.950 1.00 0.00 N ATOM 147 CA LEU A 10 9.404 14.915 1.735 1.00 0.00 C ATOM 148 C LEU A 10 10.686 15.660 2.096 1.00 0.00 C ATOM 149 O LEU A 10 11.768 15.080 2.177 1.00 0.00 O ATOM 150 CB LEU A 10 8.458 15.635 0.758 1.00 0.00 C ATOM 151 CG LEU A 10 8.971 15.756 -0.696 1.00 0.00 C ATOM 152 CD1 LEU A 10 10.498 15.790 -0.849 1.00 0.00 C ATOM 153 CD2 LEU A 10 8.370 14.659 -1.585 1.00 0.00 C ATOM 0 H LEU A 10 8.135 15.332 3.354 1.00 0.00 H new ATOM 0 HA LEU A 10 9.739 14.028 1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.505 15.106 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 10 8.262 16.637 1.141 1.00 0.00 H new ATOM 0 HG LEU A 10 8.626 16.735 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.756 15.876 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.899 16.646 -0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.925 14.872 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.747 14.767 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.651 13.680 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.284 14.749 -1.590 1.00 0.00 H new ATOM 165 N ASP A 11 10.537 16.942 2.382 1.00 0.00 N ATOM 166 CA ASP A 11 11.591 17.920 2.608 1.00 0.00 C ATOM 167 C ASP A 11 11.637 18.296 4.087 1.00 0.00 C ATOM 168 O ASP A 11 11.454 19.441 4.502 1.00 0.00 O ATOM 169 CB ASP A 11 11.397 19.130 1.683 1.00 0.00 C ATOM 170 CG ASP A 11 9.927 19.498 1.373 1.00 0.00 C ATOM 171 OD1 ASP A 11 9.059 19.375 2.273 1.00 0.00 O ATOM 172 OD2 ASP A 11 9.627 19.884 0.222 1.00 0.00 O ATOM 0 H ASP A 11 9.610 17.358 2.469 1.00 0.00 H new ATOM 0 HA ASP A 11 12.562 17.491 2.358 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.882 19.994 2.136 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.911 18.933 0.742 1.00 0.00 H new ATOM 177 N GLY A 12 11.816 17.275 4.925 1.00 0.00 N ATOM 178 CA GLY A 12 11.813 17.460 6.376 1.00 0.00 C ATOM 179 C GLY A 12 10.420 17.643 6.978 1.00 0.00 C ATOM 180 O GLY A 12 10.238 17.311 8.145 1.00 0.00 O ATOM 0 H GLY A 12 11.965 16.312 4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 12 12.288 16.597 6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.421 18.331 6.622 1.00 0.00 H new ATOM 184 N ARG A 13 9.442 18.119 6.200 1.00 0.00 N ATOM 185 CA ARG A 13 8.052 18.321 6.613 1.00 0.00 C ATOM 186 C ARG A 13 7.166 17.218 6.061 1.00 0.00 C ATOM 187 O ARG A 13 7.521 16.519 5.111 1.00 0.00 O ATOM 188 CB ARG A 13 7.556 19.686 6.126 1.00 0.00 C ATOM 189 CG ARG A 13 8.372 20.855 6.696 1.00 0.00 C ATOM 190 CD ARG A 13 8.248 22.085 5.803 1.00 0.00 C ATOM 191 NE ARG A 13 6.878 22.630 5.780 1.00 0.00 N ATOM 192 CZ ARG A 13 6.515 23.737 5.167 1.00 0.00 C ATOM 193 NH1 ARG A 13 7.382 24.456 4.512 1.00 0.00 N ATOM 194 NH2 ARG A 13 5.278 24.144 5.203 1.00 0.00 N ATOM 0 H ARG A 13 9.605 18.384 5.229 1.00 0.00 H new ATOM 0 HA ARG A 13 8.004 18.291 7.702 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.599 19.716 5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.510 19.808 6.407 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.023 21.092 7.701 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.419 20.566 6.782 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.936 22.855 6.153 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.549 21.825 4.788 1.00 0.00 H new ATOM 0 HE ARG A 13 6.156 22.109 6.277 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.358 24.164 4.469 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.084 25.311 4.042 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.578 23.603 5.710 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.010 25.004 4.724 1.00 0.00 H new ATOM 208 N GLU A 14 5.995 17.089 6.663 1.00 0.00 N ATOM 209 CA GLU A 14 5.020 16.083 6.277 1.00 0.00 C ATOM 210 C GLU A 14 4.144 16.624 5.150 1.00 0.00 C ATOM 211 O GLU A 14 3.501 17.672 5.301 1.00 0.00 O ATOM 212 CB GLU A 14 4.172 15.665 7.475 1.00 0.00 C ATOM 213 CG GLU A 14 5.007 14.949 8.550 1.00 0.00 C ATOM 214 CD GLU A 14 4.332 15.034 9.920 1.00 0.00 C ATOM 215 OE1 GLU A 14 4.374 16.150 10.486 1.00 0.00 O ATOM 216 OE2 GLU A 14 3.762 14.025 10.382 1.00 0.00 O ATOM 0 H GLU A 14 5.693 17.682 7.436 1.00 0.00 H new ATOM 0 HA GLU A 14 5.545 15.198 5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.700 16.546 7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.371 15.006 7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.143 13.904 8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.999 15.397 8.602 1.00 0.00 H new ATOM 223 N LYS A 15 4.153 15.953 3.996 1.00 0.00 N ATOM 224 CA LYS A 15 3.333 16.334 2.845 1.00 0.00 C ATOM 225 C LYS A 15 2.203 15.339 2.585 1.00 0.00 C ATOM 226 O LYS A 15 2.454 14.145 2.600 1.00 0.00 O ATOM 227 CB LYS A 15 4.206 16.476 1.590 1.00 0.00 C ATOM 228 CG LYS A 15 4.877 17.851 1.500 1.00 0.00 C ATOM 229 CD LYS A 15 3.865 18.960 1.172 1.00 0.00 C ATOM 230 CE LYS A 15 4.503 20.344 1.252 1.00 0.00 C ATOM 231 NZ LYS A 15 5.301 20.664 0.044 1.00 0.00 N ATOM 0 H LYS A 15 4.731 15.128 3.834 1.00 0.00 H new ATOM 0 HA LYS A 15 2.876 17.295 3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.972 15.700 1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.593 16.315 0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.370 18.077 2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.652 17.828 0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.462 18.802 0.172 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.026 18.905 1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.723 21.095 1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.143 20.397 2.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.715 21.613 0.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.062 19.964 -0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.686 20.640 -0.795 1.00 0.00 H new ATOM 245 N PRO A 16 0.997 15.825 2.236 1.00 0.00 N ATOM 246 CA PRO A 16 -0.162 14.996 1.946 1.00 0.00 C ATOM 247 C PRO A 16 0.041 14.168 0.681 1.00 0.00 C ATOM 248 O PRO A 16 0.173 14.712 -0.424 1.00 0.00 O ATOM 249 CB PRO A 16 -1.345 15.948 1.808 1.00 0.00 C ATOM 250 CG PRO A 16 -0.699 17.263 1.390 1.00 0.00 C ATOM 251 CD PRO A 16 0.663 17.225 2.065 1.00 0.00 C ATOM 0 HA PRO A 16 -0.333 14.274 2.744 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.058 15.596 1.062 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.890 16.049 2.747 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.607 17.338 0.306 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.286 18.120 1.720 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.412 17.731 1.456 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.634 17.737 3.027 1.00 0.00 H new ATOM 259 N PHE A 17 0.045 12.845 0.810 1.00 0.00 N ATOM 260 CA PHE A 17 0.184 11.982 -0.349 1.00 0.00 C ATOM 261 C PHE A 17 -1.191 11.630 -0.892 1.00 0.00 C ATOM 262 O PHE A 17 -1.897 10.857 -0.278 1.00 0.00 O ATOM 263 CB PHE A 17 0.971 10.719 -0.008 1.00 0.00 C ATOM 264 CG PHE A 17 1.891 10.225 -1.099 1.00 0.00 C ATOM 265 CD1 PHE A 17 1.671 10.578 -2.443 1.00 0.00 C ATOM 266 CD2 PHE A 17 2.959 9.370 -0.778 1.00 0.00 C ATOM 267 CE1 PHE A 17 2.536 10.134 -3.444 1.00 0.00 C ATOM 268 CE2 PHE A 17 3.846 8.941 -1.773 1.00 0.00 C ATOM 269 CZ PHE A 17 3.627 9.320 -3.108 1.00 0.00 C ATOM 0 H PHE A 17 -0.046 12.354 1.699 1.00 0.00 H new ATOM 0 HA PHE A 17 0.744 12.518 -1.116 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.563 10.909 0.887 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.266 9.925 0.239 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.825 11.198 -2.702 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.096 9.042 0.242 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.366 10.416 -4.473 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.693 8.323 -1.516 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.303 8.982 -3.880 1.00 0.00 H new ATOM 279 N LYS A 18 -1.583 12.184 -2.040 1.00 0.00 N ATOM 280 CA LYS A 18 -2.843 11.856 -2.729 1.00 0.00 C ATOM 281 C LYS A 18 -3.177 10.359 -2.717 1.00 0.00 C ATOM 282 O LYS A 18 -2.500 9.606 -3.407 1.00 0.00 O ATOM 283 CB LYS A 18 -2.809 12.358 -4.171 1.00 0.00 C ATOM 284 CG LYS A 18 -1.493 12.047 -4.914 1.00 0.00 C ATOM 285 CD LYS A 18 -0.566 13.250 -5.009 1.00 0.00 C ATOM 286 CE LYS A 18 -1.064 14.208 -6.093 1.00 0.00 C ATOM 287 NZ LYS A 18 -0.133 15.347 -6.248 1.00 0.00 N ATOM 0 H LYS A 18 -1.028 12.886 -2.530 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.630 12.362 -2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.638 11.911 -4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.969 13.436 -4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.976 11.236 -4.401 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.724 11.693 -5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.524 13.764 -4.049 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.447 12.922 -5.240 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.158 13.677 -7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.057 14.575 -5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.487 15.987 -6.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.063 15.863 -5.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.807 14.993 -6.517 1.00 0.00 H new ATOM 301 N VAL A 19 -4.220 9.932 -2.020 1.00 0.00 N ATOM 302 CA VAL A 19 -4.603 8.518 -1.922 1.00 0.00 C ATOM 303 C VAL A 19 -6.113 8.393 -1.760 1.00 0.00 C ATOM 304 O VAL A 19 -6.674 8.759 -0.746 1.00 0.00 O ATOM 305 CB VAL A 19 -3.860 7.797 -0.775 1.00 0.00 C ATOM 306 CG1 VAL A 19 -2.395 7.561 -1.150 1.00 0.00 C ATOM 307 CG2 VAL A 19 -3.898 8.517 0.573 1.00 0.00 C ATOM 0 H VAL A 19 -4.834 10.558 -1.499 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.308 8.027 -2.849 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.401 6.859 -0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.887 7.052 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.344 6.944 -2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.909 8.518 -1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.350 7.933 1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.438 9.500 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.933 8.631 0.895 1.00 0.00 H new ATOM 317 N ASP A 20 -6.818 7.898 -2.768 1.00 0.00 N ATOM 318 CA ASP A 20 -8.265 7.684 -2.624 1.00 0.00 C ATOM 319 C ASP A 20 -8.563 6.258 -2.165 1.00 0.00 C ATOM 320 O ASP A 20 -7.932 5.306 -2.639 1.00 0.00 O ATOM 321 CB ASP A 20 -8.969 8.007 -3.941 1.00 0.00 C ATOM 322 CG ASP A 20 -10.439 8.390 -3.725 1.00 0.00 C ATOM 323 OD1 ASP A 20 -11.191 7.514 -3.240 1.00 0.00 O ATOM 324 OD2 ASP A 20 -10.794 9.546 -4.027 1.00 0.00 O ATOM 0 H ASP A 20 -6.431 7.640 -3.676 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.648 8.356 -1.856 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.450 8.826 -4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.912 7.144 -4.604 1.00 0.00 H new ATOM 329 N VAL A 21 -9.536 6.104 -1.264 1.00 0.00 N ATOM 330 CA VAL A 21 -10.004 4.793 -0.805 1.00 0.00 C ATOM 331 C VAL A 21 -10.442 3.918 -1.973 1.00 0.00 C ATOM 332 O VAL A 21 -10.021 2.766 -2.064 1.00 0.00 O ATOM 333 CB VAL A 21 -11.152 4.915 0.209 1.00 0.00 C ATOM 334 CG1 VAL A 21 -12.448 5.483 -0.391 1.00 0.00 C ATOM 335 CG2 VAL A 21 -11.471 3.547 0.828 1.00 0.00 C ATOM 0 H VAL A 21 -10.024 6.888 -0.830 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.157 4.320 -0.308 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.797 5.616 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.213 5.540 0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.259 6.480 -0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.793 4.832 -1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.286 3.653 1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.766 2.852 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.588 3.164 1.339 1.00 0.00 H new ATOM 345 N ALA A 22 -11.291 4.449 -2.864 1.00 0.00 N ATOM 346 CA ALA A 22 -11.852 3.733 -4.002 1.00 0.00 C ATOM 347 C ALA A 22 -10.746 3.054 -4.799 1.00 0.00 C ATOM 348 O ALA A 22 -10.840 1.872 -5.128 1.00 0.00 O ATOM 349 CB ALA A 22 -12.651 4.703 -4.886 1.00 0.00 C ATOM 0 H ALA A 22 -11.611 5.416 -2.805 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.528 2.959 -3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.068 4.162 -5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.460 5.143 -4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.992 5.493 -5.247 1.00 0.00 H new ATOM 355 N THR A 23 -9.671 3.802 -5.043 1.00 0.00 N ATOM 356 CA THR A 23 -8.485 3.300 -5.714 1.00 0.00 C ATOM 357 C THR A 23 -7.834 2.197 -4.894 1.00 0.00 C ATOM 358 O THR A 23 -7.732 1.079 -5.383 1.00 0.00 O ATOM 359 CB THR A 23 -7.479 4.411 -5.992 1.00 0.00 C ATOM 360 OG1 THR A 23 -8.070 5.446 -6.734 1.00 0.00 O ATOM 361 CG2 THR A 23 -6.338 3.872 -6.836 1.00 0.00 C ATOM 0 H THR A 23 -9.604 4.784 -4.775 1.00 0.00 H new ATOM 0 HA THR A 23 -8.803 2.891 -6.673 1.00 0.00 H new ATOM 0 HB THR A 23 -7.127 4.781 -5.029 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.408 6.149 -6.900 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.622 4.670 -7.032 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.842 3.062 -6.302 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.730 3.497 -7.781 1.00 0.00 H new ATOM 369 N ALA A 24 -7.387 2.476 -3.667 1.00 0.00 N ATOM 370 CA ALA A 24 -6.718 1.488 -2.819 1.00 0.00 C ATOM 371 C ALA A 24 -7.490 0.163 -2.738 1.00 0.00 C ATOM 372 O ALA A 24 -6.930 -0.912 -2.953 1.00 0.00 O ATOM 373 CB ALA A 24 -6.534 2.091 -1.427 1.00 0.00 C ATOM 0 H ALA A 24 -7.479 3.395 -3.234 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.751 1.250 -3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.036 1.368 -0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.926 2.993 -1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.508 2.343 -1.008 1.00 0.00 H new ATOM 379 N GLN A 25 -8.793 0.246 -2.472 1.00 0.00 N ATOM 380 CA GLN A 25 -9.699 -0.896 -2.422 1.00 0.00 C ATOM 381 C GLN A 25 -9.773 -1.625 -3.758 1.00 0.00 C ATOM 382 O GLN A 25 -9.677 -2.849 -3.784 1.00 0.00 O ATOM 383 CB GLN A 25 -11.110 -0.435 -2.049 1.00 0.00 C ATOM 384 CG GLN A 25 -11.251 -0.114 -0.564 1.00 0.00 C ATOM 385 CD GLN A 25 -11.697 -1.333 0.213 1.00 0.00 C ATOM 386 OE1 GLN A 25 -11.263 -2.454 -0.009 1.00 0.00 O ATOM 387 NE2 GLN A 25 -12.603 -1.169 1.149 1.00 0.00 N ATOM 0 H GLN A 25 -9.258 1.134 -2.281 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.305 -1.579 -1.669 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.365 0.449 -2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.825 -1.213 -2.318 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.298 0.243 -0.173 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.972 0.692 -0.429 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.973 -0.238 1.343 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.937 -1.972 1.682 1.00 0.00 H new ATOM 396 N ALA A 26 -9.952 -0.888 -4.860 1.00 0.00 N ATOM 397 CA ALA A 26 -9.961 -1.449 -6.205 1.00 0.00 C ATOM 398 C ALA A 26 -8.740 -2.334 -6.440 1.00 0.00 C ATOM 399 O ALA A 26 -8.896 -3.448 -6.924 1.00 0.00 O ATOM 400 CB ALA A 26 -10.047 -0.340 -7.264 1.00 0.00 C ATOM 0 H ALA A 26 -10.095 0.122 -4.837 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.850 -2.073 -6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.052 -0.786 -8.258 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.963 0.232 -7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.187 0.322 -7.168 1.00 0.00 H new ATOM 406 N GLN A 27 -7.551 -1.872 -6.057 1.00 0.00 N ATOM 407 CA GLN A 27 -6.315 -2.622 -6.213 1.00 0.00 C ATOM 408 C GLN A 27 -6.289 -3.879 -5.341 1.00 0.00 C ATOM 409 O GLN A 27 -6.075 -4.979 -5.842 1.00 0.00 O ATOM 410 CB GLN A 27 -5.126 -1.739 -5.868 1.00 0.00 C ATOM 411 CG GLN A 27 -5.040 -0.430 -6.644 1.00 0.00 C ATOM 412 CD GLN A 27 -4.986 -0.621 -8.153 1.00 0.00 C ATOM 413 OE1 GLN A 27 -4.210 -1.384 -8.690 1.00 0.00 O ATOM 414 NE2 GLN A 27 -5.838 0.054 -8.888 1.00 0.00 N ATOM 0 H GLN A 27 -7.422 -0.957 -5.626 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.256 -2.939 -7.254 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.162 -1.509 -4.803 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.211 -2.306 -6.041 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.902 0.188 -6.395 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.153 0.116 -6.323 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.494 0.698 -8.446 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.844 -0.065 -9.901 1.00 0.00 H new ATOM 423 N ALA A 28 -6.572 -3.731 -4.045 1.00 0.00 N ATOM 424 CA ALA A 28 -6.645 -4.851 -3.111 1.00 0.00 C ATOM 425 C ALA A 28 -7.604 -5.940 -3.583 1.00 0.00 C ATOM 426 O ALA A 28 -7.253 -7.115 -3.627 1.00 0.00 O ATOM 427 CB ALA A 28 -7.079 -4.349 -1.737 1.00 0.00 C ATOM 0 H ALA A 28 -6.758 -2.825 -3.614 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.650 -5.292 -3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.132 -5.188 -1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.356 -3.620 -1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.060 -3.879 -1.814 1.00 0.00 H new ATOM 433 N ARG A 29 -8.826 -5.557 -3.960 1.00 0.00 N ATOM 434 CA ARG A 29 -9.823 -6.488 -4.486 1.00 0.00 C ATOM 435 C ARG A 29 -9.380 -7.082 -5.821 1.00 0.00 C ATOM 436 O ARG A 29 -9.627 -8.255 -6.073 1.00 0.00 O ATOM 437 CB ARG A 29 -11.162 -5.762 -4.613 1.00 0.00 C ATOM 438 CG ARG A 29 -12.268 -6.690 -5.133 1.00 0.00 C ATOM 439 CD ARG A 29 -13.441 -5.887 -5.698 1.00 0.00 C ATOM 440 NE ARG A 29 -14.448 -5.599 -4.665 1.00 0.00 N ATOM 441 CZ ARG A 29 -15.370 -6.445 -4.245 1.00 0.00 C ATOM 442 NH1 ARG A 29 -15.468 -7.645 -4.749 1.00 0.00 N ATOM 443 NH2 ARG A 29 -16.218 -6.096 -3.321 1.00 0.00 N ATOM 0 H ARG A 29 -9.151 -4.592 -3.909 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.934 -7.324 -3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.451 -5.361 -3.642 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.052 -4.913 -5.288 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.865 -7.344 -5.907 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.618 -7.332 -4.325 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.073 -4.951 -6.119 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.904 -6.443 -6.513 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.432 -4.672 -4.240 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -14.825 -7.944 -5.482 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -16.188 -8.283 -4.410 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.174 -5.161 -2.915 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.927 -6.757 -3.003 1.00 0.00 H new ATOM 457 N LYS A 30 -8.759 -6.279 -6.687 1.00 0.00 N ATOM 458 CA LYS A 30 -8.267 -6.714 -7.998 1.00 0.00 C ATOM 459 C LYS A 30 -7.225 -7.812 -7.884 1.00 0.00 C ATOM 460 O LYS A 30 -7.297 -8.793 -8.623 1.00 0.00 O ATOM 461 CB LYS A 30 -7.671 -5.531 -8.779 1.00 0.00 C ATOM 462 CG LYS A 30 -8.707 -4.771 -9.608 1.00 0.00 C ATOM 463 CD LYS A 30 -9.191 -5.606 -10.795 1.00 0.00 C ATOM 464 CE LYS A 30 -10.134 -4.779 -11.667 1.00 0.00 C ATOM 465 NZ LYS A 30 -9.411 -3.701 -12.399 1.00 0.00 N ATOM 0 H LYS A 30 -8.580 -5.293 -6.495 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.127 -7.113 -8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.200 -4.842 -8.078 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.886 -5.899 -9.440 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.556 -4.505 -8.978 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.273 -3.839 -9.969 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.338 -5.942 -11.385 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.703 -6.499 -10.437 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.633 -5.432 -12.383 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.911 -4.337 -11.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.029 -3.308 -13.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.145 -2.948 -11.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.554 -4.094 -12.838 1.00 0.00 H new ATOM 479 N ALA A 31 -6.249 -7.615 -7.008 1.00 0.00 N ATOM 480 CA ALA A 31 -5.213 -8.595 -6.743 1.00 0.00 C ATOM 481 C ALA A 31 -5.720 -9.751 -5.864 1.00 0.00 C ATOM 482 O ALA A 31 -5.270 -10.887 -6.021 1.00 0.00 O ATOM 483 CB ALA A 31 -4.019 -7.866 -6.121 1.00 0.00 C ATOM 0 H ALA A 31 -6.156 -6.761 -6.458 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.903 -9.065 -7.676 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.224 -8.582 -5.912 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.652 -7.110 -6.815 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.329 -7.386 -5.193 1.00 0.00 H new ATOM 489 N GLY A 32 -6.671 -9.477 -4.973 1.00 0.00 N ATOM 490 CA GLY A 32 -7.213 -10.445 -4.032 1.00 0.00 C ATOM 491 C GLY A 32 -6.142 -10.954 -3.076 1.00 0.00 C ATOM 492 O GLY A 32 -5.161 -10.276 -2.803 1.00 0.00 O ATOM 0 H GLY A 32 -7.094 -8.553 -4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.022 -9.987 -3.463 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.643 -11.284 -4.579 1.00 0.00 H new ATOM 496 N LEU A 33 -6.334 -12.150 -2.534 1.00 0.00 N ATOM 497 CA LEU A 33 -5.435 -12.754 -1.540 1.00 0.00 C ATOM 498 C LEU A 33 -4.686 -13.959 -2.117 1.00 0.00 C ATOM 499 O LEU A 33 -4.520 -14.983 -1.455 1.00 0.00 O ATOM 500 CB LEU A 33 -6.216 -13.153 -0.286 1.00 0.00 C ATOM 501 CG LEU A 33 -7.263 -12.157 0.221 1.00 0.00 C ATOM 502 CD1 LEU A 33 -8.353 -12.910 0.965 1.00 0.00 C ATOM 503 CD2 LEU A 33 -6.643 -11.126 1.143 1.00 0.00 C ATOM 0 H LEU A 33 -7.129 -12.743 -2.772 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.691 -12.006 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.717 -14.101 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.501 -13.333 0.517 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.684 -11.635 -0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.100 -12.204 1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.826 -13.625 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.916 -13.442 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.413 -10.434 1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.198 -11.627 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.872 -10.574 0.605 1.00 0.00 H new ATOM 515 N THR A 34 -4.249 -13.835 -3.369 1.00 0.00 N ATOM 516 CA THR A 34 -3.615 -14.930 -4.098 1.00 0.00 C ATOM 517 C THR A 34 -2.619 -14.382 -5.107 1.00 0.00 C ATOM 518 O THR A 34 -2.994 -13.809 -6.137 1.00 0.00 O ATOM 519 CB THR A 34 -4.642 -15.812 -4.823 1.00 0.00 C ATOM 520 OG1 THR A 34 -5.683 -16.221 -3.970 1.00 0.00 O ATOM 521 CG2 THR A 34 -3.972 -17.080 -5.354 1.00 0.00 C ATOM 0 H THR A 34 -4.325 -12.971 -3.906 1.00 0.00 H new ATOM 0 HA THR A 34 -3.099 -15.548 -3.364 1.00 0.00 H new ATOM 0 HB THR A 34 -5.049 -15.207 -5.634 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.315 -16.778 -4.470 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.712 -17.696 -5.865 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.181 -16.808 -6.053 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.545 -17.641 -4.523 1.00 0.00 H new ATOM 529 N THR A 35 -1.334 -14.595 -4.846 1.00 0.00 N ATOM 530 CA THR A 35 -0.246 -14.233 -5.752 1.00 0.00 C ATOM 531 C THR A 35 0.456 -15.464 -6.312 1.00 0.00 C ATOM 532 O THR A 35 0.206 -16.584 -5.878 1.00 0.00 O ATOM 533 CB THR A 35 0.744 -13.323 -5.045 1.00 0.00 C ATOM 534 OG1 THR A 35 1.643 -12.814 -6.008 1.00 0.00 O ATOM 535 CG2 THR A 35 1.504 -14.027 -3.913 1.00 0.00 C ATOM 0 H THR A 35 -1.012 -15.032 -3.983 1.00 0.00 H new ATOM 0 HA THR A 35 -0.679 -13.696 -6.596 1.00 0.00 H new ATOM 0 HB THR A 35 0.188 -12.515 -4.570 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.016 -11.965 -5.691 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.195 -13.325 -3.447 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.795 -14.387 -3.167 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.062 -14.870 -4.319 1.00 0.00 H new ATOM 543 N GLY A 36 1.343 -15.238 -7.275 1.00 0.00 N ATOM 544 CA GLY A 36 2.208 -16.252 -7.870 1.00 0.00 C ATOM 545 C GLY A 36 2.420 -16.061 -9.363 1.00 0.00 C ATOM 546 O GLY A 36 3.348 -16.611 -9.937 1.00 0.00 O ATOM 0 H GLY A 36 1.485 -14.311 -7.677 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.175 -16.235 -7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.775 -17.237 -7.695 1.00 0.00 H new ATOM 550 N LYS A 37 1.567 -15.245 -9.985 1.00 0.00 N ATOM 551 CA LYS A 37 1.631 -14.895 -11.404 1.00 0.00 C ATOM 552 C LYS A 37 2.904 -14.134 -11.744 1.00 0.00 C ATOM 553 O LYS A 37 3.581 -14.435 -12.717 1.00 0.00 O ATOM 554 CB LYS A 37 0.400 -14.086 -11.826 1.00 0.00 C ATOM 555 CG LYS A 37 -0.168 -13.131 -10.757 1.00 0.00 C ATOM 556 CD LYS A 37 -1.237 -13.799 -9.879 1.00 0.00 C ATOM 557 CE LYS A 37 -2.632 -13.601 -10.470 1.00 0.00 C ATOM 558 NZ LYS A 37 -3.661 -13.586 -9.396 1.00 0.00 N ATOM 0 H LYS A 37 0.790 -14.796 -9.500 1.00 0.00 H new ATOM 0 HA LYS A 37 1.643 -15.831 -11.963 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.657 -13.502 -12.710 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.386 -14.781 -12.121 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.645 -12.774 -10.125 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.599 -12.258 -11.247 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.024 -14.864 -9.788 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.201 -13.380 -8.874 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.667 -12.665 -11.027 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.849 -14.401 -11.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.602 -13.450 -9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.639 -14.490 -8.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.462 -12.807 -8.736 1.00 0.00 H new ATOM 572 N SER A 38 3.201 -13.108 -10.955 1.00 0.00 N ATOM 573 CA SER A 38 4.370 -12.268 -11.164 1.00 0.00 C ATOM 574 C SER A 38 5.100 -11.978 -9.861 1.00 0.00 C ATOM 575 O SER A 38 6.207 -12.457 -9.635 1.00 0.00 O ATOM 576 CB SER A 38 3.953 -10.990 -11.870 1.00 0.00 C ATOM 577 OG SER A 38 3.049 -10.224 -11.092 1.00 0.00 O ATOM 0 H SER A 38 2.635 -12.836 -10.151 1.00 0.00 H new ATOM 0 HA SER A 38 5.077 -12.805 -11.796 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.838 -10.393 -12.091 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.489 -11.238 -12.825 1.00 0.00 H new ATOM 0 HG SER A 38 2.130 -10.422 -11.368 1.00 0.00 H new ATOM 583 N GLY A 39 4.496 -11.177 -9.001 1.00 0.00 N ATOM 584 CA GLY A 39 5.063 -10.800 -7.731 1.00 0.00 C ATOM 585 C GLY A 39 4.099 -10.016 -6.884 1.00 0.00 C ATOM 586 O GLY A 39 4.572 -9.365 -5.969 1.00 0.00 O ATOM 0 H GLY A 39 3.579 -10.765 -9.175 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.370 -11.697 -7.192 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.961 -10.206 -7.899 1.00 0.00 H new ATOM 590 N ASP A 40 2.805 -10.014 -7.205 1.00 0.00 N ATOM 591 CA ASP A 40 1.812 -9.240 -6.482 1.00 0.00 C ATOM 592 C ASP A 40 0.439 -9.950 -6.537 1.00 0.00 C ATOM 593 O ASP A 40 0.161 -10.696 -7.485 1.00 0.00 O ATOM 594 CB ASP A 40 1.736 -7.788 -6.993 1.00 0.00 C ATOM 595 CG ASP A 40 3.080 -7.156 -7.411 1.00 0.00 C ATOM 596 OD1 ASP A 40 3.618 -7.496 -8.490 1.00 0.00 O ATOM 597 OD2 ASP A 40 3.618 -6.345 -6.620 1.00 0.00 O ATOM 0 H ASP A 40 2.420 -10.555 -7.980 1.00 0.00 H new ATOM 0 HA ASP A 40 2.118 -9.180 -5.437 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.060 -7.758 -7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.292 -7.170 -6.213 1.00 0.00 H new ATOM 602 N PRO A 41 -0.414 -9.784 -5.510 1.00 0.00 N ATOM 603 CA PRO A 41 -0.101 -9.089 -4.255 1.00 0.00 C ATOM 604 C PRO A 41 0.953 -9.803 -3.418 1.00 0.00 C ATOM 605 O PRO A 41 1.479 -10.829 -3.823 1.00 0.00 O ATOM 606 CB PRO A 41 -1.421 -8.993 -3.514 1.00 0.00 C ATOM 607 CG PRO A 41 -2.186 -10.216 -4.010 1.00 0.00 C ATOM 608 CD PRO A 41 -1.738 -10.389 -5.454 1.00 0.00 C ATOM 0 HA PRO A 41 0.335 -8.111 -4.459 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.279 -9.017 -2.434 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.947 -8.067 -3.746 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.952 -11.098 -3.414 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.263 -10.063 -3.945 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.703 -11.442 -5.734 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.426 -9.899 -6.143 1.00 0.00 H new ATOM 616 N HIS A 42 1.302 -9.264 -2.259 1.00 0.00 N ATOM 617 CA HIS A 42 2.314 -9.876 -1.395 1.00 0.00 C ATOM 618 C HIS A 42 1.702 -10.220 -0.053 1.00 0.00 C ATOM 619 O HIS A 42 0.806 -9.523 0.419 1.00 0.00 O ATOM 620 CB HIS A 42 3.522 -8.952 -1.209 1.00 0.00 C ATOM 621 CG HIS A 42 3.815 -8.030 -2.356 1.00 0.00 C ATOM 622 ND1 HIS A 42 3.280 -6.774 -2.540 1.00 0.00 N ATOM 623 CD2 HIS A 42 4.601 -8.316 -3.423 1.00 0.00 C ATOM 624 CE1 HIS A 42 3.746 -6.298 -3.705 1.00 0.00 C ATOM 625 NE2 HIS A 42 4.536 -7.224 -4.262 1.00 0.00 N ATOM 0 H HIS A 42 0.901 -8.402 -1.890 1.00 0.00 H new ATOM 0 HA HIS A 42 2.667 -10.789 -1.875 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.362 -8.350 -0.314 1.00 0.00 H new ATOM 0 HB3 HIS A 42 4.403 -9.567 -1.027 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.167 -9.222 -3.584 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.521 -5.328 -4.124 1.00 0.00 H new ATOM 0 HE2 HIS A 42 5.012 -7.136 -5.160 1.00 0.00 H new ATOM 634 N ARG A 43 2.190 -11.284 0.576 1.00 0.00 N ATOM 635 CA ARG A 43 1.746 -11.711 1.905 1.00 0.00 C ATOM 636 C ARG A 43 2.299 -10.772 2.961 1.00 0.00 C ATOM 637 O ARG A 43 3.501 -10.751 3.173 1.00 0.00 O ATOM 638 CB ARG A 43 2.223 -13.139 2.176 1.00 0.00 C ATOM 639 CG ARG A 43 1.200 -14.158 1.675 1.00 0.00 C ATOM 640 CD ARG A 43 -0.013 -14.287 2.615 1.00 0.00 C ATOM 641 NE ARG A 43 0.379 -14.660 3.984 1.00 0.00 N ATOM 642 CZ ARG A 43 0.860 -15.828 4.369 1.00 0.00 C ATOM 643 NH1 ARG A 43 0.980 -16.817 3.522 1.00 0.00 N ATOM 644 NH2 ARG A 43 1.247 -16.011 5.596 1.00 0.00 N ATOM 0 H ARG A 43 2.913 -11.883 0.176 1.00 0.00 H new ATOM 0 HA ARG A 43 0.657 -11.685 1.943 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.181 -13.307 1.684 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.386 -13.276 3.245 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.857 -13.866 0.683 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.681 -15.131 1.572 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.553 -13.341 2.639 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.699 -15.036 2.219 1.00 0.00 H new ATOM 0 HE ARG A 43 0.268 -13.947 4.705 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.700 -16.692 2.549 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.353 -17.713 3.834 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.180 -15.249 6.271 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.617 -16.917 5.884 1.00 0.00 H new ATOM 658 N TYR A 44 1.422 -10.036 3.623 1.00 0.00 N ATOM 659 CA TYR A 44 1.779 -9.184 4.744 1.00 0.00 C ATOM 660 C TYR A 44 1.640 -9.985 6.047 1.00 0.00 C ATOM 661 O TYR A 44 0.561 -10.463 6.389 1.00 0.00 O ATOM 662 CB TYR A 44 0.908 -7.926 4.711 1.00 0.00 C ATOM 663 CG TYR A 44 1.227 -6.906 5.784 1.00 0.00 C ATOM 664 CD1 TYR A 44 1.061 -7.200 7.155 1.00 0.00 C ATOM 665 CD2 TYR A 44 1.668 -5.627 5.410 1.00 0.00 C ATOM 666 CE1 TYR A 44 1.376 -6.250 8.130 1.00 0.00 C ATOM 667 CE2 TYR A 44 1.963 -4.665 6.388 1.00 0.00 C ATOM 668 CZ TYR A 44 1.882 -5.004 7.750 1.00 0.00 C ATOM 669 OH TYR A 44 2.367 -4.196 8.717 1.00 0.00 O ATOM 0 H TYR A 44 0.428 -10.014 3.393 1.00 0.00 H new ATOM 0 HA TYR A 44 2.817 -8.856 4.681 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.015 -7.452 3.735 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.137 -8.221 4.809 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.687 -8.168 7.453 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.781 -5.382 4.364 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.229 -6.478 9.175 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.252 -3.666 6.095 1.00 0.00 H new ATOM 0 HH TYR A 44 1.763 -4.210 9.488 1.00 0.00 H new ATOM 679 N PHE A 45 2.731 -10.133 6.789 1.00 0.00 N ATOM 680 CA PHE A 45 2.785 -10.801 8.098 1.00 0.00 C ATOM 681 C PHE A 45 3.469 -9.924 9.153 1.00 0.00 C ATOM 682 O PHE A 45 4.398 -10.358 9.824 1.00 0.00 O ATOM 683 CB PHE A 45 3.468 -12.167 7.944 1.00 0.00 C ATOM 684 CG PHE A 45 4.657 -12.173 6.995 1.00 0.00 C ATOM 685 CD1 PHE A 45 5.711 -11.246 7.130 1.00 0.00 C ATOM 686 CD2 PHE A 45 4.685 -13.091 5.933 1.00 0.00 C ATOM 687 CE1 PHE A 45 6.778 -11.241 6.225 1.00 0.00 C ATOM 688 CE2 PHE A 45 5.760 -13.094 5.029 1.00 0.00 C ATOM 689 CZ PHE A 45 6.807 -12.169 5.176 1.00 0.00 C ATOM 0 H PHE A 45 3.640 -9.780 6.490 1.00 0.00 H new ATOM 0 HA PHE A 45 1.769 -10.963 8.457 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.800 -12.506 8.925 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.732 -12.889 7.590 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.694 -10.532 7.940 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.877 -13.797 5.811 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.578 -10.523 6.335 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.782 -13.809 4.220 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.634 -12.173 4.481 1.00 0.00 H new ATOM 699 N ALA A 46 3.058 -8.658 9.254 1.00 0.00 N ATOM 700 CA ALA A 46 3.660 -7.705 10.191 1.00 0.00 C ATOM 701 C ALA A 46 5.128 -7.398 9.847 1.00 0.00 C ATOM 702 O ALA A 46 5.971 -7.216 10.724 1.00 0.00 O ATOM 703 CB ALA A 46 3.464 -8.217 11.622 1.00 0.00 C ATOM 0 H ALA A 46 2.303 -8.265 8.692 1.00 0.00 H new ATOM 0 HA ALA A 46 3.152 -6.745 10.104 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.910 -7.513 12.325 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.399 -8.313 11.831 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.944 -9.190 11.729 1.00 0.00 H new ATOM 709 N GLY A 47 5.433 -7.278 8.552 1.00 0.00 N ATOM 710 CA GLY A 47 6.788 -6.988 8.068 1.00 0.00 C ATOM 711 C GLY A 47 7.062 -5.497 7.885 1.00 0.00 C ATOM 712 O GLY A 47 8.201 -5.057 7.998 1.00 0.00 O ATOM 0 H GLY A 47 4.745 -7.379 7.806 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.512 -7.399 8.771 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.943 -7.497 7.117 1.00 0.00 H new ATOM 716 N ASP A 48 6.011 -4.695 7.737 1.00 0.00 N ATOM 717 CA ASP A 48 6.130 -3.247 7.563 1.00 0.00 C ATOM 718 C ASP A 48 6.098 -2.502 8.906 1.00 0.00 C ATOM 719 O ASP A 48 6.071 -1.273 8.956 1.00 0.00 O ATOM 720 CB ASP A 48 5.030 -2.770 6.619 1.00 0.00 C ATOM 721 CG ASP A 48 5.208 -3.290 5.200 1.00 0.00 C ATOM 722 OD1 ASP A 48 6.323 -3.143 4.669 1.00 0.00 O ATOM 723 OD2 ASP A 48 4.204 -3.784 4.653 1.00 0.00 O ATOM 0 H ASP A 48 5.048 -5.031 7.734 1.00 0.00 H new ATOM 0 HA ASP A 48 7.100 -3.021 7.121 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.062 -3.094 7.002 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.018 -1.680 6.603 1.00 0.00 H new ATOM 728 N HIS A 49 6.079 -3.233 10.031 1.00 0.00 N ATOM 729 CA HIS A 49 5.985 -2.649 11.376 1.00 0.00 C ATOM 730 C HIS A 49 4.719 -1.798 11.547 1.00 0.00 C ATOM 731 O HIS A 49 4.741 -0.738 12.178 1.00 0.00 O ATOM 732 CB HIS A 49 7.282 -1.864 11.676 1.00 0.00 C ATOM 733 CG HIS A 49 8.368 -2.719 12.239 1.00 0.00 C ATOM 734 ND1 HIS A 49 8.408 -3.152 13.541 1.00 0.00 N ATOM 735 CD2 HIS A 49 9.487 -3.160 11.598 1.00 0.00 C ATOM 736 CE1 HIS A 49 9.546 -3.847 13.708 1.00 0.00 C ATOM 737 NE2 HIS A 49 10.218 -3.864 12.536 1.00 0.00 N ATOM 0 H HIS A 49 6.129 -4.252 10.032 1.00 0.00 H new ATOM 0 HA HIS A 49 5.891 -3.449 12.110 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.636 -1.395 10.758 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.059 -1.061 12.379 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.750 -2.993 10.564 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.870 -4.314 14.626 1.00 0.00 H new ATOM 0 HE2 HIS A 49 11.115 -4.320 12.371 1.00 0.00 H new ATOM 746 N ILE A 50 3.590 -2.277 11.031 1.00 0.00 N ATOM 747 CA ILE A 50 2.318 -1.567 11.081 1.00 0.00 C ATOM 748 C ILE A 50 1.296 -2.388 11.853 1.00 0.00 C ATOM 749 O ILE A 50 1.154 -3.585 11.658 1.00 0.00 O ATOM 750 CB ILE A 50 1.803 -1.219 9.677 1.00 0.00 C ATOM 751 CG1 ILE A 50 2.933 -0.717 8.769 1.00 0.00 C ATOM 752 CG2 ILE A 50 0.711 -0.179 9.841 1.00 0.00 C ATOM 753 CD1 ILE A 50 2.474 -0.201 7.411 1.00 0.00 C ATOM 0 H ILE A 50 3.534 -3.180 10.561 1.00 0.00 H new ATOM 0 HA ILE A 50 2.477 -0.623 11.602 1.00 0.00 H new ATOM 0 HB ILE A 50 1.404 -2.109 9.190 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.468 0.081 9.284 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.644 -1.529 8.613 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.319 0.095 8.861 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.093 -0.589 10.452 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.121 0.706 10.328 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.339 0.133 6.837 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.966 -1.000 6.871 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.788 0.634 7.552 1.00 0.00 H new ATOM 765 N ARG A 51 0.572 -1.695 12.725 1.00 0.00 N ATOM 766 CA ARG A 51 -0.502 -2.276 13.536 1.00 0.00 C ATOM 767 C ARG A 51 -1.894 -1.923 13.044 1.00 0.00 C ATOM 768 O ARG A 51 -2.824 -2.688 13.224 1.00 0.00 O ATOM 769 CB ARG A 51 -0.360 -1.863 15.000 1.00 0.00 C ATOM 770 CG ARG A 51 -0.154 -0.356 15.181 1.00 0.00 C ATOM 771 CD ARG A 51 -0.425 0.071 16.620 1.00 0.00 C ATOM 772 NE ARG A 51 -0.793 1.501 16.670 1.00 0.00 N ATOM 773 CZ ARG A 51 0.025 2.528 16.556 1.00 0.00 C ATOM 774 NH1 ARG A 51 1.297 2.345 16.325 1.00 0.00 N ATOM 775 NH2 ARG A 51 -0.413 3.752 16.632 1.00 0.00 N ATOM 0 H ARG A 51 0.714 -0.699 12.894 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.392 -3.356 13.439 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.252 -2.170 15.546 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.483 -2.395 15.441 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.867 -0.091 14.907 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.816 0.187 14.507 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.229 -0.533 17.041 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.460 -0.105 17.232 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.781 1.715 16.807 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.667 1.399 16.231 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.920 3.148 16.239 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.406 3.930 16.782 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.237 4.533 16.541 1.00 0.00 H new ATOM 789 N TRP A 52 -2.032 -0.727 12.458 1.00 0.00 N ATOM 790 CA TRP A 52 -3.289 -0.207 11.905 1.00 0.00 C ATOM 791 C TRP A 52 -4.297 0.181 12.979 1.00 0.00 C ATOM 792 O TRP A 52 -5.473 0.310 12.692 1.00 0.00 O ATOM 793 CB TRP A 52 -3.853 -1.200 10.888 1.00 0.00 C ATOM 794 CG TRP A 52 -2.841 -1.643 9.894 1.00 0.00 C ATOM 795 CD1 TRP A 52 -1.985 -2.694 9.979 1.00 0.00 C ATOM 796 CD2 TRP A 52 -2.563 -0.979 8.646 1.00 0.00 C ATOM 797 NE1 TRP A 52 -1.221 -2.747 8.835 1.00 0.00 N ATOM 798 CE2 TRP A 52 -1.515 -1.692 8.004 1.00 0.00 C ATOM 799 CE3 TRP A 52 -3.068 0.181 8.031 1.00 0.00 C ATOM 800 CZ2 TRP A 52 -0.990 -1.272 6.794 1.00 0.00 C ATOM 801 CZ3 TRP A 52 -2.549 0.602 6.803 1.00 0.00 C ATOM 802 CH2 TRP A 52 -1.559 -0.155 6.166 1.00 0.00 C ATOM 0 H TRP A 52 -1.253 -0.078 12.353 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.071 0.726 11.386 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.243 -2.071 11.415 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.692 -0.741 10.365 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.915 -3.379 10.811 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.531 -3.470 8.632 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -3.856 0.746 8.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.159 -1.794 6.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -2.912 1.511 6.346 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.229 0.125 5.177 1.00 0.00 H new ATOM 813 N GLY A 53 -3.835 0.388 14.219 1.00 0.00 N ATOM 814 CA GLY A 53 -4.703 0.588 15.380 1.00 0.00 C ATOM 815 C GLY A 53 -5.843 -0.428 15.495 1.00 0.00 C ATOM 816 O GLY A 53 -6.860 -0.114 16.103 1.00 0.00 O ATOM 0 H GLY A 53 -2.840 0.421 14.443 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.097 0.541 16.285 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.128 1.590 15.333 1.00 0.00 H new ATOM 820 N VAL A 54 -5.685 -1.622 14.921 1.00 0.00 N ATOM 821 CA VAL A 54 -6.737 -2.637 14.854 1.00 0.00 C ATOM 822 C VAL A 54 -6.201 -3.910 15.459 1.00 0.00 C ATOM 823 O VAL A 54 -5.189 -4.413 15.005 1.00 0.00 O ATOM 824 CB VAL A 54 -7.168 -2.910 13.403 1.00 0.00 C ATOM 825 CG1 VAL A 54 -8.153 -4.092 13.324 1.00 0.00 C ATOM 826 CG2 VAL A 54 -7.785 -1.681 12.738 1.00 0.00 C ATOM 0 H VAL A 54 -4.811 -1.915 14.484 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.609 -2.277 15.399 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.259 -3.166 12.859 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.438 -4.259 12.285 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.677 -4.990 13.718 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.042 -3.865 13.912 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.072 -1.926 11.716 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.667 -1.369 13.298 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.057 -0.870 12.726 1.00 0.00 H new ATOM 836 N ASN A 55 -6.937 -4.502 16.393 1.00 0.00 N ATOM 837 CA ASN A 55 -6.546 -5.764 17.019 1.00 0.00 C ATOM 838 C ASN A 55 -6.279 -6.873 15.989 1.00 0.00 C ATOM 839 O ASN A 55 -5.380 -7.677 16.162 1.00 0.00 O ATOM 840 CB ASN A 55 -7.663 -6.188 17.978 1.00 0.00 C ATOM 841 CG ASN A 55 -7.159 -7.017 19.142 1.00 0.00 C ATOM 842 OD1 ASN A 55 -6.145 -7.685 19.109 1.00 0.00 O ATOM 843 ND2 ASN A 55 -7.909 -7.039 20.212 1.00 0.00 N ATOM 0 H ASN A 55 -7.819 -4.124 16.738 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.610 -5.610 17.556 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.162 -5.298 18.362 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.410 -6.760 17.427 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.641 -7.614 21.011 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.762 -6.481 20.248 1.00 0.00 H new ATOM 850 N ASN A 56 -7.060 -6.915 14.901 1.00 0.00 N ATOM 851 CA ASN A 56 -6.896 -7.889 13.821 1.00 0.00 C ATOM 852 C ASN A 56 -5.590 -7.696 13.056 1.00 0.00 C ATOM 853 O ASN A 56 -4.799 -8.622 12.959 1.00 0.00 O ATOM 854 CB ASN A 56 -8.077 -7.819 12.842 1.00 0.00 C ATOM 855 CG ASN A 56 -9.216 -8.735 13.212 1.00 0.00 C ATOM 856 OD1 ASN A 56 -9.416 -9.107 14.356 1.00 0.00 O ATOM 857 ND2 ASN A 56 -9.989 -9.127 12.230 1.00 0.00 N ATOM 0 H ASN A 56 -7.831 -6.265 14.747 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.866 -8.872 14.291 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.444 -6.794 12.800 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.726 -8.073 11.842 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.772 -9.753 12.416 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.808 -8.806 11.279 1.00 0.00 H new ATOM 864 N CYS A 57 -5.404 -6.524 12.456 1.00 0.00 N ATOM 865 CA CYS A 57 -4.176 -6.233 11.733 1.00 0.00 C ATOM 866 C CYS A 57 -2.942 -6.176 12.644 1.00 0.00 C ATOM 867 O CYS A 57 -1.844 -6.422 12.163 1.00 0.00 O ATOM 868 CB CYS A 57 -4.330 -4.899 11.031 1.00 0.00 C ATOM 869 SG CYS A 57 -5.748 -4.710 9.929 1.00 0.00 S ATOM 0 H CYS A 57 -6.086 -5.765 12.457 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.015 -7.045 11.023 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.386 -4.121 11.792 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.425 -4.714 10.453 1.00 0.00 H new ATOM 874 N ASP A 58 -3.118 -5.829 13.921 1.00 0.00 N ATOM 875 CA ASP A 58 -2.063 -5.779 14.940 1.00 0.00 C ATOM 876 C ASP A 58 -1.522 -7.171 15.265 1.00 0.00 C ATOM 877 O ASP A 58 -0.325 -7.311 15.506 1.00 0.00 O ATOM 878 CB ASP A 58 -2.580 -5.134 16.237 1.00 0.00 C ATOM 879 CG ASP A 58 -1.486 -4.974 17.297 1.00 0.00 C ATOM 880 OD1 ASP A 58 -1.264 -5.929 18.069 1.00 0.00 O ATOM 881 OD2 ASP A 58 -0.924 -3.851 17.354 1.00 0.00 O ATOM 0 H ASP A 58 -4.032 -5.565 14.289 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.257 -5.175 14.524 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.003 -4.156 16.008 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.387 -5.743 16.644 1.00 0.00 H new ATOM 886 N LYS A 59 -2.396 -8.194 15.230 1.00 0.00 N ATOM 887 CA LYS A 59 -2.038 -9.593 15.472 1.00 0.00 C ATOM 888 C LYS A 59 -0.726 -9.958 14.783 1.00 0.00 C ATOM 889 O LYS A 59 -0.466 -9.574 13.646 1.00 0.00 O ATOM 890 CB LYS A 59 -3.116 -10.560 14.976 1.00 0.00 C ATOM 891 CG LYS A 59 -4.409 -10.579 15.786 1.00 0.00 C ATOM 892 CD LYS A 59 -5.114 -11.930 15.665 1.00 0.00 C ATOM 893 CE LYS A 59 -6.604 -11.790 15.997 1.00 0.00 C ATOM 894 NZ LYS A 59 -6.863 -11.947 17.448 1.00 0.00 N ATOM 0 H LYS A 59 -3.387 -8.063 15.029 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.936 -9.690 16.553 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.359 -10.307 13.944 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.699 -11.567 14.967 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.189 -10.373 16.833 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.072 -9.787 15.438 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.996 -12.319 14.654 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.651 -12.650 16.340 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.959 -10.813 15.668 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.171 -12.538 15.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.882 -11.846 17.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.547 -12.889 17.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.342 -11.217 17.975 1.00 0.00 H new ATOM 908 N ALA A 60 0.046 -10.807 15.448 1.00 0.00 N ATOM 909 CA ALA A 60 1.344 -11.230 14.941 1.00 0.00 C ATOM 910 C ALA A 60 1.203 -12.353 13.910 1.00 0.00 C ATOM 911 O ALA A 60 1.699 -12.242 12.795 1.00 0.00 O ATOM 912 CB ALA A 60 2.230 -11.643 16.117 1.00 0.00 C ATOM 0 H ALA A 60 -0.207 -11.219 16.346 1.00 0.00 H new ATOM 0 HA ALA A 60 1.817 -10.396 14.422 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.204 -11.961 15.745 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.358 -10.796 16.791 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.760 -12.467 16.655 1.00 0.00 H new ATOM 918 N ASP A 61 0.482 -13.415 14.268 1.00 0.00 N ATOM 919 CA ASP A 61 0.235 -14.562 13.385 1.00 0.00 C ATOM 920 C ASP A 61 -0.963 -14.325 12.444 1.00 0.00 C ATOM 921 O ASP A 61 -1.675 -15.240 12.037 1.00 0.00 O ATOM 922 CB ASP A 61 0.062 -15.832 14.230 1.00 0.00 C ATOM 923 CG ASP A 61 0.308 -17.097 13.397 1.00 0.00 C ATOM 924 OD1 ASP A 61 1.294 -17.095 12.627 1.00 0.00 O ATOM 925 OD2 ASP A 61 -0.467 -18.063 13.575 1.00 0.00 O ATOM 0 H ASP A 61 0.048 -13.507 15.186 1.00 0.00 H new ATOM 0 HA ASP A 61 1.101 -14.691 12.735 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.755 -15.808 15.071 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.945 -15.859 14.647 1.00 0.00 H new ATOM 930 N ALA A 62 -1.268 -13.060 12.155 1.00 0.00 N ATOM 931 CA ALA A 62 -2.348 -12.705 11.255 1.00 0.00 C ATOM 932 C ALA A 62 -1.966 -12.933 9.785 1.00 0.00 C ATOM 933 O ALA A 62 -0.817 -13.185 9.428 1.00 0.00 O ATOM 934 CB ALA A 62 -2.760 -11.255 11.513 1.00 0.00 C ATOM 0 H ALA A 62 -0.770 -12.258 12.541 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.199 -13.357 11.452 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.572 -10.982 10.839 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.094 -11.150 12.545 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.908 -10.598 11.339 1.00 0.00 H new ATOM 940 N ILE A 63 -2.944 -12.779 8.892 1.00 0.00 N ATOM 941 CA ILE A 63 -2.760 -12.992 7.455 1.00 0.00 C ATOM 942 C ILE A 63 -3.234 -11.779 6.677 1.00 0.00 C ATOM 943 O ILE A 63 -4.418 -11.653 6.354 1.00 0.00 O ATOM 944 CB ILE A 63 -3.479 -14.255 6.975 1.00 0.00 C ATOM 945 CG1 ILE A 63 -3.031 -15.505 7.748 1.00 0.00 C ATOM 946 CG2 ILE A 63 -3.238 -14.419 5.455 1.00 0.00 C ATOM 947 CD1 ILE A 63 -3.982 -16.686 7.522 1.00 0.00 C ATOM 0 H ILE A 63 -3.892 -12.501 9.146 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.695 -13.133 7.273 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.546 -14.145 7.167 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.025 -15.784 7.436 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.983 -15.276 8.813 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.746 -15.316 5.101 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.630 -13.549 4.929 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.169 -14.508 5.264 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.630 -17.550 8.086 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.983 -16.417 7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.010 -16.932 6.461 1.00 0.00 H new ATOM 959 N LEU A 64 -2.317 -10.870 6.389 1.00 0.00 N ATOM 960 CA LEU A 64 -2.608 -9.648 5.657 1.00 0.00 C ATOM 961 C LEU A 64 -2.011 -9.765 4.259 1.00 0.00 C ATOM 962 O LEU A 64 -1.303 -10.720 3.926 1.00 0.00 O ATOM 963 CB LEU A 64 -2.081 -8.427 6.446 1.00 0.00 C ATOM 964 CG LEU A 64 -2.806 -7.987 7.730 1.00 0.00 C ATOM 965 CD1 LEU A 64 -3.894 -6.970 7.406 1.00 0.00 C ATOM 966 CD2 LEU A 64 -3.412 -9.151 8.496 1.00 0.00 C ATOM 0 H LEU A 64 -1.338 -10.961 6.660 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.682 -9.501 5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.043 -8.631 6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.075 -7.576 5.766 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.049 -7.533 8.370 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.397 -6.670 8.325 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.446 -6.095 6.935 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.619 -7.417 6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.909 -8.778 9.391 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.138 -9.664 7.865 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.624 -9.848 8.782 1.00 0.00 H new ATOM 978 N TRP A 65 -2.287 -8.774 3.433 1.00 0.00 N ATOM 979 CA TRP A 65 -1.803 -8.699 2.071 1.00 0.00 C ATOM 980 C TRP A 65 -1.530 -7.255 1.713 1.00 0.00 C ATOM 981 O TRP A 65 -2.361 -6.406 2.002 1.00 0.00 O ATOM 982 CB TRP A 65 -2.843 -9.318 1.147 1.00 0.00 C ATOM 983 CG TRP A 65 -2.860 -10.806 1.175 1.00 0.00 C ATOM 984 CD1 TRP A 65 -3.529 -11.587 2.049 1.00 0.00 C ATOM 985 CD2 TRP A 65 -2.117 -11.705 0.319 1.00 0.00 C ATOM 986 NE1 TRP A 65 -3.255 -12.915 1.779 1.00 0.00 N ATOM 987 CE2 TRP A 65 -2.407 -13.041 0.701 1.00 0.00 C ATOM 988 CE3 TRP A 65 -1.218 -11.511 -0.738 1.00 0.00 C ATOM 989 CZ2 TRP A 65 -1.840 -14.137 0.042 1.00 0.00 C ATOM 990 CZ3 TRP A 65 -0.624 -12.597 -1.393 1.00 0.00 C ATOM 991 CH2 TRP A 65 -0.945 -13.913 -1.014 1.00 0.00 C ATOM 0 H TRP A 65 -2.869 -7.980 3.699 1.00 0.00 H new ATOM 0 HA TRP A 65 -0.870 -9.252 1.962 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -3.830 -8.947 1.425 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.653 -8.985 0.127 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.177 -11.230 2.836 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.632 -13.700 2.310 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.979 -10.506 -1.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.089 -15.144 0.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.082 -12.424 -2.191 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.503 -14.749 -1.535 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.373 -6.990 1.119 1.00 0.00 N ATOM 1003 CA GLU A 66 0.011 -5.666 0.633 1.00 0.00 C ATOM 1004 C GLU A 66 0.016 -5.591 -0.904 1.00 0.00 C ATOM 1005 O GLU A 66 0.415 -6.546 -1.590 1.00 0.00 O ATOM 1006 CB GLU A 66 1.347 -5.214 1.234 1.00 0.00 C ATOM 1007 CG GLU A 66 2.509 -6.130 0.845 1.00 0.00 C ATOM 1008 CD GLU A 66 3.874 -5.442 0.731 1.00 0.00 C ATOM 1009 OE1 GLU A 66 3.935 -4.355 0.100 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.865 -6.110 1.086 1.00 0.00 O ATOM 0 H GLU A 66 0.340 -7.701 0.957 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.751 -4.966 0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.564 -4.198 0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.261 -5.185 2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.583 -6.929 1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.276 -6.600 -0.111 1.00 0.00 H new ATOM 1017 N TYR A 67 -0.364 -4.445 -1.464 1.00 0.00 N ATOM 1018 CA TYR A 67 -0.386 -4.259 -2.915 1.00 0.00 C ATOM 1019 C TYR A 67 -0.186 -2.794 -3.330 1.00 0.00 C ATOM 1020 O TYR A 67 -0.726 -1.897 -2.689 1.00 0.00 O ATOM 1021 CB TYR A 67 -1.709 -4.783 -3.476 1.00 0.00 C ATOM 1022 CG TYR A 67 -1.779 -4.769 -4.984 1.00 0.00 C ATOM 1023 CD1 TYR A 67 -1.285 -5.841 -5.734 1.00 0.00 C ATOM 1024 CD2 TYR A 67 -2.243 -3.633 -5.647 1.00 0.00 C ATOM 1025 CE1 TYR A 67 -1.288 -5.796 -7.136 1.00 0.00 C ATOM 1026 CE2 TYR A 67 -2.225 -3.563 -7.056 1.00 0.00 C ATOM 1027 CZ TYR A 67 -1.776 -4.664 -7.803 1.00 0.00 C ATOM 1028 OH TYR A 67 -1.803 -4.687 -9.155 1.00 0.00 O ATOM 0 H TYR A 67 -0.662 -3.627 -0.933 1.00 0.00 H new ATOM 0 HA TYR A 67 0.451 -4.822 -3.328 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.864 -5.803 -3.124 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.526 -4.181 -3.078 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.897 -6.713 -5.228 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.620 -2.798 -5.076 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.913 -6.636 -7.703 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.555 -2.666 -7.558 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.373 -3.961 -9.483 1.00 0.00 H new ATOM 1038 N PRO A 68 0.633 -2.519 -4.359 1.00 0.00 N ATOM 1039 CA PRO A 68 0.970 -1.164 -4.806 1.00 0.00 C ATOM 1040 C PRO A 68 -0.225 -0.426 -5.391 1.00 0.00 C ATOM 1041 O PRO A 68 -1.204 -1.017 -5.810 1.00 0.00 O ATOM 1042 CB PRO A 68 2.064 -1.353 -5.853 1.00 0.00 C ATOM 1043 CG PRO A 68 1.835 -2.774 -6.358 1.00 0.00 C ATOM 1044 CD PRO A 68 1.317 -3.515 -5.156 1.00 0.00 C ATOM 0 HA PRO A 68 1.297 -0.548 -3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.979 -0.623 -6.658 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.058 -1.236 -5.420 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.117 -2.794 -7.178 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.758 -3.217 -6.732 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.639 -4.317 -5.450 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.131 -3.975 -4.596 1.00 0.00 H new ATOM 1052 N ILE A 69 -0.136 0.896 -5.460 1.00 0.00 N ATOM 1053 CA ILE A 69 -1.220 1.700 -6.014 1.00 0.00 C ATOM 1054 C ILE A 69 -0.657 3.000 -6.566 1.00 0.00 C ATOM 1055 O ILE A 69 0.174 3.667 -5.940 1.00 0.00 O ATOM 1056 CB ILE A 69 -2.327 1.901 -4.954 1.00 0.00 C ATOM 1057 CG1 ILE A 69 -3.514 2.666 -5.541 1.00 0.00 C ATOM 1058 CG2 ILE A 69 -1.830 2.529 -3.639 1.00 0.00 C ATOM 1059 CD1 ILE A 69 -3.332 4.180 -5.642 1.00 0.00 C ATOM 0 H ILE A 69 0.671 1.433 -5.141 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.693 1.184 -6.850 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.664 0.902 -4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.720 2.275 -6.537 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.394 2.463 -4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.666 2.637 -2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.071 1.886 -3.193 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.400 3.509 -3.844 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.229 4.627 -6.070 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.160 4.593 -4.648 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.476 4.402 -6.280 1.00 0.00 H new ATOM 1071 N TYR A 70 -1.102 3.370 -7.760 1.00 0.00 N ATOM 1072 CA TYR A 70 -0.719 4.619 -8.395 1.00 0.00 C ATOM 1073 C TYR A 70 -1.694 5.710 -7.991 1.00 0.00 C ATOM 1074 O TYR A 70 -2.830 5.739 -8.449 1.00 0.00 O ATOM 1075 CB TYR A 70 -0.706 4.464 -9.909 1.00 0.00 C ATOM 1076 CG TYR A 70 0.397 3.558 -10.399 1.00 0.00 C ATOM 1077 CD1 TYR A 70 0.440 2.204 -10.016 1.00 0.00 C ATOM 1078 CD2 TYR A 70 1.368 4.061 -11.283 1.00 0.00 C ATOM 1079 CE1 TYR A 70 1.472 1.389 -10.483 1.00 0.00 C ATOM 1080 CE2 TYR A 70 2.415 3.255 -11.725 1.00 0.00 C ATOM 1081 CZ TYR A 70 2.453 1.916 -11.333 1.00 0.00 C ATOM 1082 OH TYR A 70 3.467 1.164 -11.782 1.00 0.00 O ATOM 0 H TYR A 70 -1.744 2.806 -8.317 1.00 0.00 H new ATOM 0 HA TYR A 70 0.285 4.891 -8.069 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.667 4.067 -10.236 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.593 5.446 -10.368 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.321 1.799 -9.365 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.301 5.084 -11.623 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.514 0.351 -10.189 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.187 3.661 -12.362 1.00 0.00 H new ATOM 0 HH TYR A 70 4.311 1.501 -11.416 1.00 0.00 H new ATOM 1092 N TRP A 71 -1.254 6.590 -7.096 1.00 0.00 N ATOM 1093 CA TRP A 71 -2.029 7.739 -6.641 1.00 0.00 C ATOM 1094 C TRP A 71 -2.604 8.563 -7.796 1.00 0.00 C ATOM 1095 O TRP A 71 -2.214 8.393 -8.945 1.00 0.00 O ATOM 1096 CB TRP A 71 -1.133 8.632 -5.795 1.00 0.00 C ATOM 1097 CG TRP A 71 0.245 8.874 -6.296 1.00 0.00 C ATOM 1098 CD1 TRP A 71 0.650 9.810 -7.175 1.00 0.00 C ATOM 1099 CD2 TRP A 71 1.425 8.128 -5.937 1.00 0.00 C ATOM 1100 NE1 TRP A 71 2.006 9.698 -7.387 1.00 0.00 N ATOM 1101 CE2 TRP A 71 2.529 8.663 -6.649 1.00 0.00 C ATOM 1102 CE3 TRP A 71 1.653 7.033 -5.091 1.00 0.00 C ATOM 1103 CZ2 TRP A 71 3.798 8.094 -6.564 1.00 0.00 C ATOM 1104 CZ3 TRP A 71 2.939 6.504 -4.941 1.00 0.00 C ATOM 1105 CH2 TRP A 71 4.003 7.005 -5.710 1.00 0.00 C ATOM 0 H TRP A 71 -0.334 6.523 -6.660 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.871 7.357 -6.064 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.627 9.597 -5.682 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.059 8.193 -4.800 1.00 0.00 H new ATOM 0 HD1 TRP A 71 0.007 10.540 -7.644 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.548 10.300 -8.007 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.828 6.594 -4.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 4.614 8.489 -7.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 3.115 5.708 -4.232 1.00 0.00 H new ATOM 0 HH2 TRP A 71 4.980 6.549 -5.642 1.00 0.00 H new ATOM 1116 N VAL A 72 -3.391 9.597 -7.481 1.00 0.00 N ATOM 1117 CA VAL A 72 -4.008 10.434 -8.528 1.00 0.00 C ATOM 1118 C VAL A 72 -2.984 11.171 -9.400 1.00 0.00 C ATOM 1119 O VAL A 72 -3.220 11.473 -10.557 1.00 0.00 O ATOM 1120 CB VAL A 72 -4.980 11.437 -7.895 1.00 0.00 C ATOM 1121 CG1 VAL A 72 -4.294 12.649 -7.237 1.00 0.00 C ATOM 1122 CG2 VAL A 72 -5.993 11.925 -8.928 1.00 0.00 C ATOM 0 H VAL A 72 -3.617 9.876 -6.526 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.548 9.756 -9.189 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.482 10.891 -7.096 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.050 13.310 -6.813 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.628 12.305 -6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.717 13.191 -7.986 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.675 12.636 -8.461 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.468 12.411 -9.750 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.560 11.076 -9.311 1.00 0.00 H new ATOM 1132 N GLY A 73 -1.829 11.495 -8.812 1.00 0.00 N ATOM 1133 CA GLY A 73 -0.757 12.232 -9.477 1.00 0.00 C ATOM 1134 C GLY A 73 -0.079 11.433 -10.587 1.00 0.00 C ATOM 1135 O GLY A 73 0.298 12.001 -11.604 1.00 0.00 O ATOM 0 H GLY A 73 -1.612 11.248 -7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.163 13.152 -9.896 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.010 12.521 -8.738 1.00 0.00 H new ATOM 1139 N LYS A 74 0.138 10.134 -10.346 1.00 0.00 N ATOM 1140 CA LYS A 74 0.637 9.192 -11.343 1.00 0.00 C ATOM 1141 C LYS A 74 -0.368 9.011 -12.489 1.00 0.00 C ATOM 1142 O LYS A 74 -1.439 9.601 -12.504 1.00 0.00 O ATOM 1143 CB LYS A 74 0.959 7.856 -10.655 1.00 0.00 C ATOM 1144 CG LYS A 74 2.391 7.816 -10.125 1.00 0.00 C ATOM 1145 CD LYS A 74 2.621 6.561 -9.267 1.00 0.00 C ATOM 1146 CE LYS A 74 4.104 6.223 -9.114 1.00 0.00 C ATOM 1147 NZ LYS A 74 4.762 6.003 -10.420 1.00 0.00 N ATOM 0 H LYS A 74 -0.033 9.706 -9.436 1.00 0.00 H new ATOM 0 HA LYS A 74 1.550 9.588 -11.788 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.263 7.695 -9.832 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.811 7.039 -11.362 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.093 7.825 -10.959 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.589 8.709 -9.532 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.182 6.713 -8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.103 5.715 -9.719 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.608 7.033 -8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.210 5.329 -8.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.748 5.710 -10.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.257 5.259 -10.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.744 6.885 -10.971 1.00 0.00 H new ATOM 1161 N ASN A 75 0.004 8.160 -13.442 1.00 0.00 N ATOM 1162 CA ASN A 75 -0.821 7.844 -14.605 1.00 0.00 C ATOM 1163 C ASN A 75 -0.973 6.350 -14.845 1.00 0.00 C ATOM 1164 O ASN A 75 -2.089 5.868 -14.972 1.00 0.00 O ATOM 1165 CB ASN A 75 -0.221 8.504 -15.850 1.00 0.00 C ATOM 1166 CG ASN A 75 -0.255 10.011 -15.775 1.00 0.00 C ATOM 1167 OD1 ASN A 75 0.766 10.673 -15.826 1.00 0.00 O ATOM 1168 ND2 ASN A 75 -1.428 10.573 -15.615 1.00 0.00 N ATOM 0 H ASN A 75 0.896 7.665 -13.428 1.00 0.00 H new ATOM 0 HA ASN A 75 -1.818 8.234 -14.402 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.810 8.172 -15.973 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.769 8.174 -16.733 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -1.500 11.587 -15.530 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -2.269 9.997 -15.575 1.00 0.00 H new ATOM 1175 N ALA A 76 0.156 5.645 -14.967 1.00 0.00 N ATOM 1176 CA ALA A 76 0.176 4.201 -15.160 1.00 0.00 C ATOM 1177 C ALA A 76 -0.505 3.459 -14.003 1.00 0.00 C ATOM 1178 O ALA A 76 -0.932 4.076 -13.032 1.00 0.00 O ATOM 1179 CB ALA A 76 1.618 3.731 -15.329 1.00 0.00 C ATOM 0 H ALA A 76 1.084 6.067 -14.934 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.390 3.969 -16.062 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.634 2.651 -15.473 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.061 4.220 -16.197 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.191 3.986 -14.437 1.00 0.00 H new ATOM 1185 N GLU A 77 -0.541 2.133 -14.071 1.00 0.00 N ATOM 1186 CA GLU A 77 -1.162 1.313 -13.041 1.00 0.00 C ATOM 1187 C GLU A 77 -0.483 -0.051 -12.974 1.00 0.00 C ATOM 1188 O GLU A 77 0.042 -0.554 -13.968 1.00 0.00 O ATOM 1189 CB GLU A 77 -2.663 1.180 -13.337 1.00 0.00 C ATOM 1190 CG GLU A 77 -3.463 0.576 -12.170 1.00 0.00 C ATOM 1191 CD GLU A 77 -4.888 0.151 -12.572 1.00 0.00 C ATOM 1192 OE1 GLU A 77 -5.663 1.024 -13.008 1.00 0.00 O ATOM 1193 OE2 GLU A 77 -5.249 -1.038 -12.394 1.00 0.00 O ATOM 0 H GLU A 77 -0.141 1.598 -14.842 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.042 1.788 -12.067 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.068 2.164 -13.575 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.798 0.557 -14.221 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.928 -0.290 -11.780 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.522 1.305 -11.362 1.00 0.00 H new ATOM 1200 N TRP A 78 -0.495 -0.646 -11.785 1.00 0.00 N ATOM 1201 CA TRP A 78 0.018 -1.982 -11.576 1.00 0.00 C ATOM 1202 C TRP A 78 -0.906 -3.040 -12.181 1.00 0.00 C ATOM 1203 O TRP A 78 -2.117 -2.873 -12.266 1.00 0.00 O ATOM 1204 CB TRP A 78 0.249 -2.230 -10.083 1.00 0.00 C ATOM 1205 CG TRP A 78 1.425 -3.108 -9.803 1.00 0.00 C ATOM 1206 CD1 TRP A 78 1.483 -4.447 -9.960 1.00 0.00 C ATOM 1207 CD2 TRP A 78 2.737 -2.709 -9.321 1.00 0.00 C ATOM 1208 NE1 TRP A 78 2.748 -4.904 -9.655 1.00 0.00 N ATOM 1209 CE2 TRP A 78 3.549 -3.873 -9.218 1.00 0.00 C ATOM 1210 CE3 TRP A 78 3.300 -1.489 -8.890 1.00 0.00 C ATOM 1211 CZ2 TRP A 78 4.852 -3.822 -8.717 1.00 0.00 C ATOM 1212 CZ3 TRP A 78 4.607 -1.423 -8.383 1.00 0.00 C ATOM 1213 CH2 TRP A 78 5.386 -2.587 -8.300 1.00 0.00 C ATOM 0 H TRP A 78 -0.864 -0.208 -10.941 1.00 0.00 H new ATOM 0 HA TRP A 78 0.975 -2.065 -12.091 1.00 0.00 H new ATOM 0 HB2 TRP A 78 0.392 -1.273 -9.581 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -0.645 -2.684 -9.655 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.660 -5.069 -10.278 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.049 -5.875 -9.741 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.712 -0.585 -8.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.445 -4.722 -8.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.013 -0.477 -8.057 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.394 -2.536 -7.917 1.00 0.00 H new ATOM 1224 N ALA A 79 -0.344 -4.193 -12.531 1.00 0.00 N ATOM 1225 CA ALA A 79 -1.102 -5.323 -13.035 1.00 0.00 C ATOM 1226 C ALA A 79 -0.788 -6.593 -12.248 1.00 0.00 C ATOM 1227 O ALA A 79 0.309 -6.798 -11.747 1.00 0.00 O ATOM 1228 CB ALA A 79 -0.811 -5.486 -14.524 1.00 0.00 C ATOM 0 H ALA A 79 0.659 -4.366 -12.471 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.168 -5.137 -12.904 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.375 -6.333 -14.914 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.104 -4.579 -15.053 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.255 -5.662 -14.669 1.00 0.00 H new ATOM 1234 N LYS A 80 -1.771 -7.489 -12.185 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.651 -8.804 -11.543 1.00 0.00 C ATOM 1236 C LYS A 80 -0.434 -9.589 -12.021 1.00 0.00 C ATOM 1237 O LYS A 80 0.440 -9.922 -11.232 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.934 -9.611 -11.742 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.417 -9.705 -13.201 1.00 0.00 C ATOM 1240 CD LYS A 80 -4.928 -9.852 -13.270 1.00 0.00 C ATOM 1241 CE LYS A 80 -5.357 -9.940 -14.735 1.00 0.00 C ATOM 1242 NZ LYS A 80 -6.784 -10.323 -14.842 1.00 0.00 N ATOM 0 H LYS A 80 -2.694 -7.321 -12.586 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.502 -8.626 -10.478 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.775 -10.620 -11.361 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.725 -9.164 -11.140 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.110 -8.813 -13.747 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.943 -10.556 -13.690 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.244 -10.746 -12.732 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.411 -9.002 -12.787 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.196 -8.979 -15.224 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.739 -10.671 -15.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.055 -10.377 -15.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.929 -11.250 -14.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.371 -9.611 -14.363 1.00 0.00 H new ATOM 1256 N ASP A 81 -0.396 -9.907 -13.308 1.00 0.00 N ATOM 1257 CA ASP A 81 0.665 -10.691 -13.942 1.00 0.00 C ATOM 1258 C ASP A 81 1.808 -9.784 -14.429 1.00 0.00 C ATOM 1259 O ASP A 81 2.255 -9.862 -15.572 1.00 0.00 O ATOM 1260 CB ASP A 81 0.097 -11.564 -15.075 1.00 0.00 C ATOM 1261 CG ASP A 81 -1.247 -12.238 -14.743 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -1.439 -12.703 -13.596 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -2.170 -12.153 -15.581 1.00 0.00 O ATOM 0 H ASP A 81 -1.123 -9.619 -13.963 1.00 0.00 H new ATOM 0 HA ASP A 81 1.088 -11.363 -13.195 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.029 -10.947 -15.965 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.826 -12.336 -15.323 1.00 0.00 H new ATOM 1268 N VAL A 82 2.287 -8.899 -13.553 1.00 0.00 N ATOM 1269 CA VAL A 82 3.335 -7.924 -13.838 1.00 0.00 C ATOM 1270 C VAL A 82 4.147 -7.623 -12.582 1.00 0.00 C ATOM 1271 O VAL A 82 3.744 -6.865 -11.706 1.00 0.00 O ATOM 1272 CB VAL A 82 2.738 -6.634 -14.412 1.00 0.00 C ATOM 1273 CG1 VAL A 82 3.800 -5.547 -14.517 1.00 0.00 C ATOM 1274 CG2 VAL A 82 2.150 -6.865 -15.812 1.00 0.00 C ATOM 0 H VAL A 82 1.943 -8.841 -12.594 1.00 0.00 H new ATOM 0 HA VAL A 82 4.002 -8.354 -14.585 1.00 0.00 H new ATOM 0 HB VAL A 82 1.947 -6.321 -13.731 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.354 -4.641 -14.927 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.205 -5.337 -13.527 1.00 0.00 H new ATOM 0 HG13 VAL A 82 4.603 -5.885 -15.173 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.735 -5.931 -16.191 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.935 -7.212 -16.484 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.362 -7.616 -15.756 1.00 0.00 H new ATOM 1284 N LYS A 83 5.354 -8.186 -12.525 1.00 0.00 N ATOM 1285 CA LYS A 83 6.298 -7.939 -11.433 1.00 0.00 C ATOM 1286 C LYS A 83 6.854 -6.520 -11.519 1.00 0.00 C ATOM 1287 O LYS A 83 6.842 -5.907 -12.578 1.00 0.00 O ATOM 1288 CB LYS A 83 7.416 -8.995 -11.461 1.00 0.00 C ATOM 1289 CG LYS A 83 8.158 -9.109 -12.810 1.00 0.00 C ATOM 1290 CD LYS A 83 9.476 -8.343 -12.837 1.00 0.00 C ATOM 1291 CE LYS A 83 10.650 -9.152 -12.270 1.00 0.00 C ATOM 1292 NZ LYS A 83 10.713 -9.127 -10.786 1.00 0.00 N ATOM 0 H LYS A 83 5.706 -8.827 -13.236 1.00 0.00 H new ATOM 0 HA LYS A 83 5.779 -8.026 -10.479 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.140 -8.759 -10.682 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.987 -9.966 -11.214 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.352 -10.160 -13.023 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.512 -8.736 -13.605 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.702 -8.056 -13.864 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.367 -7.422 -12.265 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.567 -10.185 -12.607 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.583 -8.759 -12.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.667 -9.399 -10.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.498 -8.168 -10.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.018 -9.796 -10.398 1.00 0.00 H new ATOM 1306 N THR A 84 7.511 -6.061 -10.453 1.00 0.00 N ATOM 1307 CA THR A 84 8.161 -4.726 -10.386 1.00 0.00 C ATOM 1308 C THR A 84 8.917 -4.304 -11.645 1.00 0.00 C ATOM 1309 O THR A 84 8.534 -3.352 -12.288 1.00 0.00 O ATOM 1310 CB THR A 84 9.165 -4.624 -9.236 1.00 0.00 C ATOM 1311 OG1 THR A 84 9.954 -5.800 -9.280 1.00 0.00 O ATOM 1312 CG2 THR A 84 8.482 -4.481 -7.882 1.00 0.00 C ATOM 0 H THR A 84 7.615 -6.603 -9.595 1.00 0.00 H new ATOM 0 HA THR A 84 7.308 -4.062 -10.246 1.00 0.00 H new ATOM 0 HB THR A 84 9.776 -3.729 -9.354 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.616 -5.777 -8.558 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.237 -4.412 -7.099 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.871 -3.579 -7.876 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.849 -5.349 -7.700 1.00 0.00 H new ATOM 1320 N SER A 85 10.004 -4.989 -11.996 1.00 0.00 N ATOM 1321 CA SER A 85 10.780 -4.722 -13.209 1.00 0.00 C ATOM 1322 C SER A 85 9.899 -4.503 -14.441 1.00 0.00 C ATOM 1323 O SER A 85 10.036 -3.496 -15.122 1.00 0.00 O ATOM 1324 CB SER A 85 11.721 -5.892 -13.491 1.00 0.00 C ATOM 1325 OG SER A 85 12.828 -5.498 -14.259 1.00 0.00 O ATOM 0 H SER A 85 10.377 -5.757 -11.438 1.00 0.00 H new ATOM 0 HA SER A 85 11.338 -3.804 -13.025 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.066 -6.317 -12.548 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.177 -6.678 -14.015 1.00 0.00 H new ATOM 0 HG SER A 85 13.408 -6.272 -14.418 1.00 0.00 H new ATOM 1331 N GLN A 86 9.024 -5.472 -14.736 1.00 0.00 N ATOM 1332 CA GLN A 86 8.056 -5.379 -15.821 1.00 0.00 C ATOM 1333 C GLN A 86 7.197 -4.128 -15.680 1.00 0.00 C ATOM 1334 O GLN A 86 6.966 -3.483 -16.684 1.00 0.00 O ATOM 1335 CB GLN A 86 7.174 -6.636 -15.870 1.00 0.00 C ATOM 1336 CG GLN A 86 6.092 -6.569 -16.967 1.00 0.00 C ATOM 1337 CD GLN A 86 6.638 -6.920 -18.334 1.00 0.00 C ATOM 1338 OE1 GLN A 86 7.535 -6.291 -18.866 1.00 0.00 O ATOM 1339 NE2 GLN A 86 6.116 -7.966 -18.927 1.00 0.00 N ATOM 0 H GLN A 86 8.973 -6.350 -14.219 1.00 0.00 H new ATOM 0 HA GLN A 86 8.607 -5.308 -16.759 1.00 0.00 H new ATOM 0 HB2 GLN A 86 7.804 -7.509 -16.041 1.00 0.00 H new ATOM 0 HB3 GLN A 86 6.694 -6.774 -14.901 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.280 -7.252 -16.716 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.667 -5.566 -16.994 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.365 -8.487 -18.474 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.461 -8.259 -19.841 1.00 0.00 H new ATOM 1348 N GLN A 87 6.711 -3.804 -14.480 1.00 0.00 N ATOM 1349 CA GLN A 87 5.881 -2.642 -14.188 1.00 0.00 C ATOM 1350 C GLN A 87 6.287 -1.408 -14.995 1.00 0.00 C ATOM 1351 O GLN A 87 7.390 -0.874 -14.856 1.00 0.00 O ATOM 1352 CB GLN A 87 5.920 -2.340 -12.675 1.00 0.00 C ATOM 1353 CG GLN A 87 4.749 -1.518 -12.190 1.00 0.00 C ATOM 1354 CD GLN A 87 3.452 -2.053 -12.745 1.00 0.00 C ATOM 1355 OE1 GLN A 87 2.848 -1.463 -13.613 1.00 0.00 O ATOM 1356 NE2 GLN A 87 3.092 -3.266 -12.415 1.00 0.00 N ATOM 0 H GLN A 87 6.895 -4.371 -13.652 1.00 0.00 H new ATOM 0 HA GLN A 87 4.861 -2.885 -14.487 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.944 -3.281 -12.126 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.845 -1.812 -12.443 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.716 -1.531 -11.101 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.878 -0.479 -12.493 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.598 -3.767 -11.685 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.306 -3.711 -12.888 1.00 0.00 H new ATOM 1365 N LYS A 88 5.380 -0.939 -15.848 1.00 0.00 N ATOM 1366 CA LYS A 88 5.639 0.169 -16.767 1.00 0.00 C ATOM 1367 C LYS A 88 4.890 1.399 -16.304 1.00 0.00 C ATOM 1368 O LYS A 88 3.782 1.672 -16.744 1.00 0.00 O ATOM 1369 CB LYS A 88 5.288 -0.206 -18.217 1.00 0.00 C ATOM 1370 CG LYS A 88 5.895 -1.526 -18.704 1.00 0.00 C ATOM 1371 CD LYS A 88 7.437 -1.510 -18.736 1.00 0.00 C ATOM 1372 CE LYS A 88 7.932 -0.842 -20.011 1.00 0.00 C ATOM 1373 NZ LYS A 88 9.399 -0.641 -19.970 1.00 0.00 N ATOM 0 H LYS A 88 4.437 -1.319 -15.922 1.00 0.00 H new ATOM 0 HA LYS A 88 6.706 0.392 -16.757 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.204 -0.265 -18.310 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.621 0.596 -18.876 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.560 -2.334 -18.054 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.519 -1.744 -19.704 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.820 -0.977 -17.866 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.819 -2.529 -18.679 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.669 -1.456 -20.873 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.433 0.119 -20.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.712 -0.184 -20.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.644 -0.036 -19.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.873 -1.561 -19.871 1.00 0.00 H new ATOM 1387 N GLY A 89 5.527 2.167 -15.426 1.00 0.00 N ATOM 1388 CA GLY A 89 4.904 3.387 -14.931 1.00 0.00 C ATOM 1389 C GLY A 89 5.716 4.142 -13.906 1.00 0.00 C ATOM 1390 O GLY A 89 5.917 5.347 -14.008 1.00 0.00 O ATOM 0 H GLY A 89 6.455 1.972 -15.050 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.708 4.047 -15.776 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.938 3.133 -14.494 1.00 0.00 H new ATOM 1394 N GLY A 90 6.139 3.434 -12.868 1.00 0.00 N ATOM 1395 CA GLY A 90 7.012 3.986 -11.849 1.00 0.00 C ATOM 1396 C GLY A 90 6.811 3.339 -10.482 1.00 0.00 C ATOM 1397 O GLY A 90 5.713 2.856 -10.195 1.00 0.00 O ATOM 0 H GLY A 90 5.884 2.459 -12.711 1.00 0.00 H new ATOM 0 HA2 GLY A 90 8.049 3.857 -12.158 1.00 0.00 H new ATOM 0 HA3 GLY A 90 6.835 5.058 -11.768 1.00 0.00 H new ATOM 1401 N PRO A 91 7.822 3.416 -9.612 1.00 0.00 N ATOM 1402 CA PRO A 91 7.770 2.877 -8.263 1.00 0.00 C ATOM 1403 C PRO A 91 6.802 3.666 -7.382 1.00 0.00 C ATOM 1404 O PRO A 91 6.633 4.880 -7.510 1.00 0.00 O ATOM 1405 CB PRO A 91 9.206 2.953 -7.743 1.00 0.00 C ATOM 1406 CG PRO A 91 9.817 4.110 -8.531 1.00 0.00 C ATOM 1407 CD PRO A 91 9.102 4.049 -9.873 1.00 0.00 C ATOM 0 HA PRO A 91 7.397 1.853 -8.250 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.234 3.141 -6.670 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.745 2.022 -7.917 1.00 0.00 H new ATOM 0 HG2 PRO A 91 9.652 5.065 -8.032 1.00 0.00 H new ATOM 0 HG3 PRO A 91 10.895 3.992 -8.645 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.967 5.047 -10.289 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.680 3.477 -10.598 1.00 0.00 H new ATOM 1415 N THR A 92 6.149 2.952 -6.474 1.00 0.00 N ATOM 1416 CA THR A 92 5.174 3.505 -5.535 1.00 0.00 C ATOM 1417 C THR A 92 5.365 2.894 -4.140 1.00 0.00 C ATOM 1418 O THR A 92 5.279 1.675 -3.976 1.00 0.00 O ATOM 1419 CB THR A 92 3.723 3.383 -6.027 1.00 0.00 C ATOM 1420 OG1 THR A 92 2.877 3.394 -4.906 1.00 0.00 O ATOM 1421 CG2 THR A 92 3.474 2.161 -6.910 1.00 0.00 C ATOM 0 H THR A 92 6.284 1.947 -6.365 1.00 0.00 H new ATOM 0 HA THR A 92 5.365 4.576 -5.468 1.00 0.00 H new ATOM 0 HB THR A 92 3.509 4.235 -6.673 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.946 3.486 -5.199 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.429 2.142 -7.219 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.112 2.214 -7.792 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.703 1.255 -6.350 1.00 0.00 H new ATOM 1429 N PRO A 93 5.668 3.732 -3.132 1.00 0.00 N ATOM 1430 CA PRO A 93 5.827 3.300 -1.757 1.00 0.00 C ATOM 1431 C PRO A 93 4.510 2.924 -1.102 1.00 0.00 C ATOM 1432 O PRO A 93 4.498 2.041 -0.249 1.00 0.00 O ATOM 1433 CB PRO A 93 6.418 4.508 -1.043 1.00 0.00 C ATOM 1434 CG PRO A 93 5.973 5.709 -1.832 1.00 0.00 C ATOM 1435 CD PRO A 93 5.928 5.155 -3.243 1.00 0.00 C ATOM 0 HA PRO A 93 6.450 2.407 -1.706 1.00 0.00 H new ATOM 0 HB2 PRO A 93 6.066 4.564 -0.013 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.506 4.446 -1.005 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.000 6.075 -1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.673 6.540 -1.741 1.00 0.00 H new ATOM 0 HD2 PRO A 93 5.148 5.645 -3.825 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.871 5.336 -3.758 1.00 0.00 H new ATOM 1443 N ILE A 94 3.438 3.630 -1.475 1.00 0.00 N ATOM 1444 CA ILE A 94 2.088 3.432 -0.967 1.00 0.00 C ATOM 1445 C ILE A 94 1.562 2.063 -1.380 1.00 0.00 C ATOM 1446 O ILE A 94 1.452 1.775 -2.576 1.00 0.00 O ATOM 1447 CB ILE A 94 1.104 4.504 -1.457 1.00 0.00 C ATOM 1448 CG1 ILE A 94 1.552 5.904 -1.029 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.296 4.255 -0.876 1.00 0.00 C ATOM 1450 CD1 ILE A 94 0.824 7.026 -1.740 1.00 0.00 C ATOM 0 H ILE A 94 3.495 4.380 -2.164 1.00 0.00 H new ATOM 0 HA ILE A 94 2.156 3.506 0.118 1.00 0.00 H new ATOM 0 HB ILE A 94 1.079 4.444 -2.545 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.402 6.010 0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.622 6.004 -1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.980 5.024 -1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.653 3.275 -1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.249 4.289 0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.197 7.986 -1.383 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.995 6.947 -2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.244 6.953 -1.536 1.00 0.00 H new ATOM 1462 N ARG A 95 1.216 1.229 -0.408 1.00 0.00 N ATOM 1463 CA ARG A 95 0.682 -0.107 -0.629 1.00 0.00 C ATOM 1464 C ARG A 95 -0.566 -0.315 0.219 1.00 0.00 C ATOM 1465 O ARG A 95 -0.560 -0.092 1.426 1.00 0.00 O ATOM 1466 CB ARG A 95 1.774 -1.157 -0.358 1.00 0.00 C ATOM 1467 CG ARG A 95 2.555 -1.583 -1.595 1.00 0.00 C ATOM 1468 CD ARG A 95 3.595 -0.557 -2.048 1.00 0.00 C ATOM 1469 NE ARG A 95 4.902 -0.818 -1.451 1.00 0.00 N ATOM 1470 CZ ARG A 95 5.766 -1.702 -1.902 1.00 0.00 C ATOM 1471 NH1 ARG A 95 5.500 -2.420 -2.961 1.00 0.00 N ATOM 1472 NH2 ARG A 95 6.915 -1.864 -1.315 1.00 0.00 N ATOM 0 H ARG A 95 1.301 1.469 0.580 1.00 0.00 H new ATOM 0 HA ARG A 95 0.380 -0.223 -1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.472 -0.757 0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.312 -2.038 0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.056 -2.529 -1.390 1.00 0.00 H new ATOM 0 HG3 ARG A 95 1.856 -1.763 -2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 95 3.680 -0.579 -3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.263 0.444 -1.774 1.00 0.00 H new ATOM 0 HE ARG A 95 5.163 -0.277 -0.627 1.00 0.00 H new ATOM 0 HH11 ARG A 95 4.613 -2.299 -3.450 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.180 -3.101 -3.299 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.153 -1.303 -0.497 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.578 -2.552 -1.672 1.00 0.00 H new ATOM 1486 N VAL A 96 -1.669 -0.704 -0.410 1.00 0.00 N ATOM 1487 CA VAL A 96 -2.897 -1.078 0.298 1.00 0.00 C ATOM 1488 C VAL A 96 -2.681 -2.354 1.105 1.00 0.00 C ATOM 1489 O VAL A 96 -2.122 -3.309 0.582 1.00 0.00 O ATOM 1490 CB VAL A 96 -4.075 -1.226 -0.679 1.00 0.00 C ATOM 1491 CG1 VAL A 96 -3.792 -2.200 -1.830 1.00 0.00 C ATOM 1492 CG2 VAL A 96 -5.374 -1.570 0.070 1.00 0.00 C ATOM 0 H VAL A 96 -1.742 -0.770 -1.425 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.149 -0.278 0.994 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.210 -0.254 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.664 -2.257 -2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.934 -1.847 -2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.576 -3.189 -1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.191 -1.669 -0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.246 -2.510 0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.607 -0.775 0.779 1.00 0.00 H new ATOM 1502 N VAL A 97 -3.146 -2.388 2.353 1.00 0.00 N ATOM 1503 CA VAL A 97 -3.118 -3.565 3.222 1.00 0.00 C ATOM 1504 C VAL A 97 -4.530 -4.026 3.556 1.00 0.00 C ATOM 1505 O VAL A 97 -5.432 -3.236 3.843 1.00 0.00 O ATOM 1506 CB VAL A 97 -2.298 -3.325 4.486 1.00 0.00 C ATOM 1507 CG1 VAL A 97 -2.180 -4.568 5.385 1.00 0.00 C ATOM 1508 CG2 VAL A 97 -0.912 -2.807 4.078 1.00 0.00 C ATOM 0 H VAL A 97 -3.565 -1.573 2.801 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.622 -4.364 2.671 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.821 -2.583 5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.584 -4.325 6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.174 -4.887 5.697 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.698 -5.373 4.831 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.312 -2.630 4.971 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.417 -3.548 3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.021 -1.875 3.523 1.00 0.00 H new ATOM 1518 N TYR A 98 -4.743 -5.333 3.505 1.00 0.00 N ATOM 1519 CA TYR A 98 -6.024 -5.973 3.743 1.00 0.00 C ATOM 1520 C TYR A 98 -5.837 -7.315 4.430 1.00 0.00 C ATOM 1521 O TYR A 98 -4.906 -8.056 4.141 1.00 0.00 O ATOM 1522 CB TYR A 98 -6.780 -6.154 2.430 1.00 0.00 C ATOM 1523 CG TYR A 98 -5.942 -6.499 1.216 1.00 0.00 C ATOM 1524 CD1 TYR A 98 -5.020 -5.584 0.669 1.00 0.00 C ATOM 1525 CD2 TYR A 98 -6.088 -7.754 0.624 1.00 0.00 C ATOM 1526 CE1 TYR A 98 -4.215 -5.943 -0.420 1.00 0.00 C ATOM 1527 CE2 TYR A 98 -5.346 -8.090 -0.511 1.00 0.00 C ATOM 1528 CZ TYR A 98 -4.404 -7.188 -1.035 1.00 0.00 C ATOM 1529 OH TYR A 98 -3.687 -7.526 -2.127 1.00 0.00 O ATOM 0 H TYR A 98 -4.001 -5.998 3.289 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.609 -5.329 4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.522 -6.940 2.568 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -7.325 -5.234 2.219 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -4.933 -4.595 1.094 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -6.778 -8.470 1.046 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.455 -5.266 -0.782 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.497 -9.047 -0.988 1.00 0.00 H new ATOM 0 HH TYR A 98 -4.014 -8.379 -2.482 1.00 0.00 H new ATOM 1539 N ALA A 99 -6.729 -7.624 5.365 1.00 0.00 N ATOM 1540 CA ALA A 99 -6.677 -8.879 6.104 1.00 0.00 C ATOM 1541 C ALA A 99 -7.460 -9.974 5.376 1.00 0.00 C ATOM 1542 O ALA A 99 -8.408 -9.686 4.643 1.00 0.00 O ATOM 1543 CB ALA A 99 -7.237 -8.662 7.505 1.00 0.00 C ATOM 0 H ALA A 99 -7.503 -7.016 5.630 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.640 -9.206 6.176 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.200 -9.599 8.061 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.642 -7.909 8.022 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.270 -8.322 7.435 1.00 0.00 H new ATOM 1549 N ASN A 100 -7.129 -11.232 5.649 1.00 0.00 N ATOM 1550 CA ASN A 100 -7.817 -12.402 5.118 1.00 0.00 C ATOM 1551 C ASN A 100 -9.079 -12.729 5.932 1.00 0.00 C ATOM 1552 O ASN A 100 -9.282 -13.842 6.403 1.00 0.00 O ATOM 1553 CB ASN A 100 -6.817 -13.560 5.038 1.00 0.00 C ATOM 1554 CG ASN A 100 -7.443 -14.865 4.594 1.00 0.00 C ATOM 1555 OD1 ASN A 100 -7.502 -15.847 5.304 1.00 0.00 O ATOM 1556 ND2 ASN A 100 -7.942 -14.917 3.388 1.00 0.00 N ATOM 0 H ASN A 100 -6.351 -11.472 6.264 1.00 0.00 H new ATOM 0 HA ASN A 100 -8.181 -12.203 4.110 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -6.019 -13.294 4.345 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -6.356 -13.701 6.016 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -8.376 -15.777 3.052 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -7.898 -14.098 2.782 1.00 0.00 H new ATOM 1563 N SER A 101 -9.959 -11.751 6.117 1.00 0.00 N ATOM 1564 CA SER A 101 -11.208 -11.987 6.834 1.00 0.00 C ATOM 1565 C SER A 101 -12.199 -12.771 5.969 1.00 0.00 C ATOM 1566 O SER A 101 -13.015 -12.183 5.265 1.00 0.00 O ATOM 1567 CB SER A 101 -11.790 -10.667 7.317 1.00 0.00 C ATOM 1568 OG SER A 101 -13.060 -10.938 7.858 1.00 0.00 O ATOM 0 H SER A 101 -9.833 -10.795 5.784 1.00 0.00 H new ATOM 0 HA SER A 101 -11.002 -12.601 7.711 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.142 -10.214 8.068 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.868 -9.958 6.493 1.00 0.00 H new ATOM 0 HG SER A 101 -13.463 -10.105 8.181 1.00 0.00 H new ATOM 1574 N ARG A 102 -12.159 -14.110 6.012 1.00 0.00 N ATOM 1575 CA ARG A 102 -13.055 -14.969 5.213 1.00 0.00 C ATOM 1576 C ARG A 102 -12.985 -14.646 3.712 1.00 0.00 C ATOM 1577 O ARG A 102 -14.003 -14.581 3.028 1.00 0.00 O ATOM 1578 CB ARG A 102 -14.486 -14.818 5.761 1.00 0.00 C ATOM 1579 CG ARG A 102 -15.413 -15.950 5.303 1.00 0.00 C ATOM 1580 CD ARG A 102 -16.874 -15.540 5.450 1.00 0.00 C ATOM 1581 NE ARG A 102 -17.254 -15.337 6.858 1.00 0.00 N ATOM 1582 CZ ARG A 102 -18.461 -15.036 7.286 1.00 0.00 C ATOM 1583 NH1 ARG A 102 -19.451 -14.886 6.451 1.00 0.00 N ATOM 1584 NH2 ARG A 102 -18.696 -14.891 8.557 1.00 0.00 N ATOM 0 H ARG A 102 -11.507 -14.631 6.599 1.00 0.00 H new ATOM 0 HA ARG A 102 -12.732 -16.006 5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -14.454 -14.797 6.850 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -14.897 -13.862 5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -15.203 -16.201 4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -15.220 -16.846 5.893 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -17.050 -14.621 4.891 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -17.511 -16.307 5.010 1.00 0.00 H new ATOM 0 HE ARG A 102 -16.521 -15.438 7.560 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -19.296 -15.002 5.450 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -20.381 -14.653 6.799 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -17.941 -15.011 9.232 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -19.635 -14.658 8.879 1.00 0.00 H new ATOM 1598 N GLY A 103 -11.790 -14.366 3.200 1.00 0.00 N ATOM 1599 CA GLY A 103 -11.599 -13.951 1.808 1.00 0.00 C ATOM 1600 C GLY A 103 -11.994 -12.494 1.525 1.00 0.00 C ATOM 1601 O GLY A 103 -11.323 -11.796 0.773 1.00 0.00 O ATOM 0 H GLY A 103 -10.924 -14.420 3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.552 -14.090 1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -12.183 -14.606 1.162 1.00 0.00 H new ATOM 1605 N ALA A 104 -13.083 -12.012 2.116 1.00 0.00 N ATOM 1606 CA ALA A 104 -13.505 -10.626 2.008 1.00 0.00 C ATOM 1607 C ALA A 104 -12.500 -9.704 2.702 1.00 0.00 C ATOM 1608 O ALA A 104 -12.423 -9.640 3.927 1.00 0.00 O ATOM 1609 CB ALA A 104 -14.917 -10.465 2.565 1.00 0.00 C ATOM 0 H ALA A 104 -13.703 -12.583 2.690 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.531 -10.337 0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -15.225 -9.423 2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -15.605 -11.094 2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -14.931 -10.763 3.613 1.00 0.00 H new ATOM 1615 N VAL A 105 -11.710 -9.000 1.900 1.00 0.00 N ATOM 1616 CA VAL A 105 -10.752 -8.019 2.392 1.00 0.00 C ATOM 1617 C VAL A 105 -11.424 -7.026 3.331 1.00 0.00 C ATOM 1618 O VAL A 105 -12.499 -6.506 3.043 1.00 0.00 O ATOM 1619 CB VAL A 105 -10.071 -7.281 1.233 1.00 0.00 C ATOM 1620 CG1 VAL A 105 -9.330 -8.276 0.340 1.00 0.00 C ATOM 1621 CG2 VAL A 105 -11.008 -6.434 0.368 1.00 0.00 C ATOM 0 H VAL A 105 -11.717 -9.095 0.884 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.986 -8.557 2.950 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.382 -6.583 1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.850 -7.742 -0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -8.573 -8.797 0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.038 -9.000 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -10.435 -5.952 -0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.772 -7.073 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -11.485 -5.673 0.986 1.00 0.00 H new ATOM 1631 N GLN A 106 -10.769 -6.726 4.447 1.00 0.00 N ATOM 1632 CA GLN A 106 -11.295 -5.749 5.403 1.00 0.00 C ATOM 1633 C GLN A 106 -10.709 -4.357 5.204 1.00 0.00 C ATOM 1634 O GLN A 106 -10.860 -3.528 6.090 1.00 0.00 O ATOM 1635 CB GLN A 106 -11.113 -6.261 6.833 1.00 0.00 C ATOM 1636 CG GLN A 106 -9.660 -6.197 7.308 1.00 0.00 C ATOM 1637 CD GLN A 106 -9.488 -6.778 8.706 1.00 0.00 C ATOM 1638 OE1 GLN A 106 -9.996 -7.827 9.076 1.00 0.00 O ATOM 1639 NE2 GLN A 106 -8.689 -6.142 9.527 1.00 0.00 N ATOM 0 H GLN A 106 -9.877 -7.141 4.714 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.363 -5.640 5.216 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.736 -5.673 7.506 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.464 -7.291 6.892 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.026 -6.742 6.609 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.323 -5.161 7.303 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.254 -5.265 9.239 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.502 -6.524 10.454 1.00 0.00 H new ATOM 1648 N TYR A 107 -10.008 -4.124 4.082 1.00 0.00 N ATOM 1649 CA TYR A 107 -9.299 -2.874 3.812 1.00 0.00 C ATOM 1650 C TYR A 107 -8.615 -2.353 5.076 1.00 0.00 C ATOM 1651 O TYR A 107 -8.907 -1.265 5.555 1.00 0.00 O ATOM 1652 CB TYR A 107 -10.297 -1.873 3.242 1.00 0.00 C ATOM 1653 CG TYR A 107 -9.756 -0.472 3.028 1.00 0.00 C ATOM 1654 CD1 TYR A 107 -8.621 -0.268 2.229 1.00 0.00 C ATOM 1655 CD2 TYR A 107 -10.320 0.613 3.730 1.00 0.00 C ATOM 1656 CE1 TYR A 107 -8.068 1.017 2.118 1.00 0.00 C ATOM 1657 CE2 TYR A 107 -9.758 1.896 3.637 1.00 0.00 C ATOM 1658 CZ TYR A 107 -8.629 2.100 2.824 1.00 0.00 C ATOM 1659 OH TYR A 107 -8.087 3.334 2.706 1.00 0.00 O ATOM 0 H TYR A 107 -9.920 -4.810 3.332 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.506 -3.037 3.082 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -10.664 -2.253 2.289 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -11.154 -1.816 3.914 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -8.174 -1.097 1.701 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -11.193 0.455 4.346 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -7.206 1.177 1.487 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -10.189 2.720 4.186 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.593 3.968 3.256 1.00 0.00 H new ATOM 1669 N CYS A 108 -7.738 -3.176 5.655 1.00 0.00 N ATOM 1670 CA CYS A 108 -7.014 -2.814 6.866 1.00 0.00 C ATOM 1671 C CYS A 108 -6.519 -1.355 6.850 1.00 0.00 C ATOM 1672 O CYS A 108 -6.613 -0.652 7.852 1.00 0.00 O ATOM 1673 CB CYS A 108 -5.831 -3.766 7.030 1.00 0.00 C ATOM 1674 SG CYS A 108 -4.950 -3.458 8.558 1.00 0.00 S ATOM 0 H CYS A 108 -7.514 -4.105 5.297 1.00 0.00 H new ATOM 0 HA CYS A 108 -7.701 -2.900 7.708 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.187 -4.796 7.015 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.150 -3.651 6.186 1.00 0.00 H new ATOM 1679 N GLY A 109 -6.035 -0.911 5.692 1.00 0.00 N ATOM 1680 CA GLY A 109 -5.696 0.469 5.418 1.00 0.00 C ATOM 1681 C GLY A 109 -4.551 0.553 4.433 1.00 0.00 C ATOM 1682 O GLY A 109 -3.878 -0.430 4.143 1.00 0.00 O ATOM 0 H GLY A 109 -5.865 -1.528 4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.566 0.990 5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.422 0.972 6.345 1.00 0.00 H new ATOM 1686 N VAL A 110 -4.294 1.736 3.911 1.00 0.00 N ATOM 1687 CA VAL A 110 -3.156 1.966 3.018 1.00 0.00 C ATOM 1688 C VAL A 110 -1.956 2.449 3.819 1.00 0.00 C ATOM 1689 O VAL A 110 -2.113 3.243 4.739 1.00 0.00 O ATOM 1690 CB VAL A 110 -3.517 2.979 1.929 1.00 0.00 C ATOM 1691 CG1 VAL A 110 -2.738 2.673 0.655 1.00 0.00 C ATOM 1692 CG2 VAL A 110 -5.003 2.957 1.585 1.00 0.00 C ATOM 0 H VAL A 110 -4.860 2.566 4.087 1.00 0.00 H new ATOM 0 HA VAL A 110 -2.899 1.025 2.532 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.262 3.963 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.001 3.398 -0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.669 2.732 0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.987 1.670 0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.207 3.693 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.279 1.965 1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.586 3.197 2.474 1.00 0.00 H new ATOM 1702 N MET A 111 -0.762 1.964 3.509 1.00 0.00 N ATOM 1703 CA MET A 111 0.479 2.398 4.152 1.00 0.00 C ATOM 1704 C MET A 111 1.411 3.023 3.140 1.00 0.00 C ATOM 1705 O MET A 111 1.288 2.769 1.949 1.00 0.00 O ATOM 1706 CB MET A 111 1.160 1.233 4.877 1.00 0.00 C ATOM 1707 CG MET A 111 1.287 -0.051 4.049 1.00 0.00 C ATOM 1708 SD MET A 111 2.571 0.023 2.789 1.00 0.00 S ATOM 1709 CE MET A 111 3.120 -1.704 2.780 1.00 0.00 C ATOM 0 H MET A 111 -0.622 1.249 2.795 1.00 0.00 H new ATOM 0 HA MET A 111 0.229 3.153 4.898 1.00 0.00 H new ATOM 0 HB2 MET A 111 2.156 1.549 5.188 1.00 0.00 H new ATOM 0 HB3 MET A 111 0.599 1.010 5.784 1.00 0.00 H new ATOM 0 HG2 MET A 111 1.495 -0.885 4.719 1.00 0.00 H new ATOM 0 HG3 MET A 111 0.331 -0.259 3.569 1.00 0.00 H new ATOM 0 HE1 MET A 111 4.170 -1.751 2.490 1.00 0.00 H new ATOM 0 HE2 MET A 111 2.999 -2.129 3.776 1.00 0.00 H new ATOM 0 HE3 MET A 111 2.522 -2.272 2.068 1.00 0.00 H new ATOM 1719 N THR A 112 2.361 3.821 3.605 1.00 0.00 N ATOM 1720 CA THR A 112 3.389 4.419 2.777 1.00 0.00 C ATOM 1721 C THR A 112 4.692 4.612 3.532 1.00 0.00 C ATOM 1722 O THR A 112 4.769 4.483 4.743 1.00 0.00 O ATOM 1723 CB THR A 112 2.895 5.746 2.214 1.00 0.00 C ATOM 1724 OG1 THR A 112 3.699 6.018 1.090 1.00 0.00 O ATOM 1725 CG2 THR A 112 3.022 6.922 3.140 1.00 0.00 C ATOM 0 H THR A 112 2.437 4.074 4.590 1.00 0.00 H new ATOM 0 HA THR A 112 3.595 3.732 1.956 1.00 0.00 H new ATOM 0 HB THR A 112 1.830 5.632 2.010 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.420 6.866 0.686 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.644 7.817 2.646 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.445 6.736 4.046 1.00 0.00 H new ATOM 0 HG23 THR A 112 4.070 7.068 3.401 1.00 0.00 H new ATOM 1733 N HIS A 113 5.770 4.867 2.806 1.00 0.00 N ATOM 1734 CA HIS A 113 7.059 5.165 3.426 1.00 0.00 C ATOM 1735 C HIS A 113 7.145 6.630 3.850 1.00 0.00 C ATOM 1736 O HIS A 113 6.556 7.496 3.219 1.00 0.00 O ATOM 1737 CB HIS A 113 8.183 4.836 2.453 1.00 0.00 C ATOM 1738 CG HIS A 113 8.039 3.508 1.762 1.00 0.00 C ATOM 1739 ND1 HIS A 113 8.566 3.197 0.534 1.00 0.00 N ATOM 1740 CD2 HIS A 113 7.347 2.425 2.202 1.00 0.00 C ATOM 1741 CE1 HIS A 113 8.217 1.938 0.223 1.00 0.00 C ATOM 1742 NE2 HIS A 113 7.446 1.472 1.215 1.00 0.00 N ATOM 0 H HIS A 113 5.781 4.874 1.786 1.00 0.00 H new ATOM 0 HA HIS A 113 7.159 4.551 4.321 1.00 0.00 H new ATOM 0 HB2 HIS A 113 8.235 5.621 1.698 1.00 0.00 H new ATOM 0 HB3 HIS A 113 9.130 4.850 2.993 1.00 0.00 H new ATOM 0 HD2 HIS A 113 6.823 2.331 3.141 1.00 0.00 H new ATOM 0 HE1 HIS A 113 8.506 1.398 -0.667 1.00 0.00 H new ATOM 0 HE2 HIS A 113 7.002 0.554 1.235 1.00 0.00 H new ATOM 1751 N SER A 114 8.019 6.919 4.808 1.00 0.00 N ATOM 1752 CA SER A 114 8.257 8.298 5.239 1.00 0.00 C ATOM 1753 C SER A 114 9.246 8.997 4.325 1.00 0.00 C ATOM 1754 O SER A 114 8.969 10.096 3.895 1.00 0.00 O ATOM 1755 CB SER A 114 8.747 8.323 6.681 1.00 0.00 C ATOM 1756 OG SER A 114 9.197 9.606 7.069 1.00 0.00 O ATOM 0 H SER A 114 8.575 6.221 5.302 1.00 0.00 H new ATOM 0 HA SER A 114 7.313 8.839 5.181 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.941 8.007 7.343 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.557 7.604 6.800 1.00 0.00 H new ATOM 0 HG SER A 114 9.501 9.578 8.000 1.00 0.00 H new ATOM 1762 N LYS A 115 10.371 8.364 3.976 1.00 0.00 N ATOM 1763 CA LYS A 115 11.402 8.970 3.127 1.00 0.00 C ATOM 1764 C LYS A 115 11.002 8.978 1.658 1.00 0.00 C ATOM 1765 O LYS A 115 11.334 8.049 0.926 1.00 0.00 O ATOM 1766 CB LYS A 115 12.735 8.248 3.360 1.00 0.00 C ATOM 1767 CG LYS A 115 13.961 9.144 3.125 1.00 0.00 C ATOM 1768 CD LYS A 115 14.465 9.131 1.676 1.00 0.00 C ATOM 1769 CE LYS A 115 13.836 10.245 0.841 1.00 0.00 C ATOM 1770 NZ LYS A 115 13.826 9.891 -0.593 1.00 0.00 N ATOM 0 H LYS A 115 10.593 7.414 4.275 1.00 0.00 H new ATOM 0 HA LYS A 115 11.517 10.017 3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.761 7.869 4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.793 7.384 2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 115 13.711 10.168 3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.767 8.822 3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.549 9.241 1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 115 14.239 8.166 1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.817 10.428 1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.392 11.171 0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.329 10.623 -1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 14.299 8.975 -0.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 12.843 9.826 -0.928 1.00 0.00 H new ATOM 1784 N VAL A 116 10.450 10.070 1.150 1.00 0.00 N ATOM 1785 CA VAL A 116 10.025 10.150 -0.251 1.00 0.00 C ATOM 1786 C VAL A 116 10.453 11.473 -0.845 1.00 0.00 C ATOM 1787 O VAL A 116 10.020 12.504 -0.392 1.00 0.00 O ATOM 1788 CB VAL A 116 8.510 9.938 -0.375 1.00 0.00 C ATOM 1789 CG1 VAL A 116 8.172 8.448 -0.224 1.00 0.00 C ATOM 1790 CG2 VAL A 116 7.691 10.730 0.649 1.00 0.00 C ATOM 0 H VAL A 116 10.283 10.921 1.686 1.00 0.00 H new ATOM 0 HA VAL A 116 10.509 9.352 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 116 8.239 10.306 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 116 7.095 8.308 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 116 8.678 7.879 -1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.503 8.097 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.630 10.530 0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 116 7.979 10.429 1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.881 11.796 0.521 1.00 0.00 H new ATOM 1800 N ASP A 117 11.359 11.457 -1.823 1.00 0.00 N ATOM 1801 CA ASP A 117 11.771 12.707 -2.488 1.00 0.00 C ATOM 1802 C ASP A 117 11.269 12.731 -3.933 1.00 0.00 C ATOM 1803 O ASP A 117 10.331 13.433 -4.283 1.00 0.00 O ATOM 1804 CB ASP A 117 13.291 12.889 -2.341 1.00 0.00 C ATOM 1805 CG ASP A 117 13.765 14.342 -2.265 1.00 0.00 C ATOM 1806 OD1 ASP A 117 13.212 15.188 -2.992 1.00 0.00 O ATOM 1807 OD2 ASP A 117 14.777 14.526 -1.563 1.00 0.00 O ATOM 0 H ASP A 117 11.817 10.615 -2.171 1.00 0.00 H new ATOM 0 HA ASP A 117 11.311 13.570 -2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.619 12.368 -1.441 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.783 12.406 -3.185 1.00 0.00 H new ATOM 1812 N LYS A 118 11.893 11.899 -4.777 1.00 0.00 N ATOM 1813 CA LYS A 118 11.633 11.822 -6.223 1.00 0.00 C ATOM 1814 C LYS A 118 11.351 10.414 -6.710 1.00 0.00 C ATOM 1815 O LYS A 118 10.438 10.179 -7.484 1.00 0.00 O ATOM 1816 CB LYS A 118 12.828 12.363 -7.014 1.00 0.00 C ATOM 1817 CG LYS A 118 12.878 13.885 -7.149 1.00 0.00 C ATOM 1818 CD LYS A 118 13.447 14.534 -5.892 1.00 0.00 C ATOM 1819 CE LYS A 118 13.524 16.052 -5.993 1.00 0.00 C ATOM 1820 NZ LYS A 118 14.730 16.476 -6.738 1.00 0.00 N ATOM 0 H LYS A 118 12.611 11.244 -4.467 1.00 0.00 H new ATOM 0 HA LYS A 118 10.742 12.427 -6.391 1.00 0.00 H new ATOM 0 HB2 LYS A 118 13.746 12.026 -6.533 1.00 0.00 H new ATOM 0 HB3 LYS A 118 12.812 11.925 -8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 118 13.490 14.156 -8.010 1.00 0.00 H new ATOM 0 HG3 LYS A 118 11.875 14.269 -7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 118 12.828 14.263 -5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 118 14.444 14.136 -5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 118 12.632 16.432 -6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 118 13.539 16.486 -4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 14.758 17.514 -6.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 15.580 16.132 -6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 14.701 16.080 -7.699 1.00 0.00 H new ATOM 1834 N ASN A 119 12.181 9.475 -6.253 1.00 0.00 N ATOM 1835 CA ASN A 119 11.979 8.056 -6.527 1.00 0.00 C ATOM 1836 C ASN A 119 10.979 7.412 -5.575 1.00 0.00 C ATOM 1837 O ASN A 119 10.582 6.270 -5.778 1.00 0.00 O ATOM 1838 CB ASN A 119 13.314 7.317 -6.408 1.00 0.00 C ATOM 1839 CG ASN A 119 14.180 7.457 -7.638 1.00 0.00 C ATOM 1840 OD1 ASN A 119 13.827 8.066 -8.625 1.00 0.00 O ATOM 1841 ND2 ASN A 119 15.360 6.896 -7.595 1.00 0.00 N ATOM 0 H ASN A 119 13.005 9.677 -5.687 1.00 0.00 H new ATOM 0 HA ASN A 119 11.577 7.980 -7.537 1.00 0.00 H new ATOM 0 HB2 ASN A 119 13.857 7.697 -5.543 1.00 0.00 H new ATOM 0 HB3 ASN A 119 13.122 6.260 -6.224 1.00 0.00 H new ATOM 0 HD21 ASN A 119 15.989 6.969 -8.395 1.00 0.00 H new ATOM 0 HD22 ASN A 119 15.652 6.385 -6.762 1.00 0.00 H new ATOM 1848 N ASN A 120 10.642 8.100 -4.479 1.00 0.00 N ATOM 1849 CA ASN A 120 9.650 7.635 -3.517 1.00 0.00 C ATOM 1850 C ASN A 120 10.123 6.348 -2.822 1.00 0.00 C ATOM 1851 O ASN A 120 9.324 5.481 -2.469 1.00 0.00 O ATOM 1852 CB ASN A 120 8.290 7.457 -4.206 1.00 0.00 C ATOM 1853 CG ASN A 120 7.811 8.617 -5.045 1.00 0.00 C ATOM 1854 OD1 ASN A 120 8.543 9.441 -5.544 1.00 0.00 O ATOM 1855 ND2 ASN A 120 6.524 8.754 -5.187 1.00 0.00 N ATOM 0 H ASN A 120 11.055 9.001 -4.237 1.00 0.00 H new ATOM 0 HA ASN A 120 9.529 8.388 -2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 120 8.341 6.573 -4.841 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.541 7.256 -3.440 1.00 0.00 H new ATOM 0 HD21 ASN A 120 6.150 9.545 -5.711 1.00 0.00 H new ATOM 0 HD22 ASN A 120 5.890 8.070 -4.774 1.00 0.00 H new ATOM 1862 N GLN A 121 11.445 6.204 -2.665 1.00 0.00 N ATOM 1863 CA GLN A 121 12.059 5.030 -2.060 1.00 0.00 C ATOM 1864 C GLN A 121 11.496 4.782 -0.650 1.00 0.00 C ATOM 1865 O GLN A 121 10.789 5.603 -0.082 1.00 0.00 O ATOM 1866 CB GLN A 121 13.592 5.197 -2.047 1.00 0.00 C ATOM 1867 CG GLN A 121 14.313 3.858 -2.245 1.00 0.00 C ATOM 1868 CD GLN A 121 14.197 3.384 -3.687 1.00 0.00 C ATOM 1869 OE1 GLN A 121 13.475 2.458 -3.995 1.00 0.00 O ATOM 1870 NE2 GLN A 121 14.865 4.044 -4.610 1.00 0.00 N ATOM 0 H GLN A 121 12.120 6.910 -2.960 1.00 0.00 H new ATOM 0 HA GLN A 121 11.818 4.150 -2.656 1.00 0.00 H new ATOM 0 HB2 GLN A 121 13.889 5.889 -2.835 1.00 0.00 H new ATOM 0 HB3 GLN A 121 13.901 5.640 -1.100 1.00 0.00 H new ATOM 0 HG2 GLN A 121 15.364 3.964 -1.977 1.00 0.00 H new ATOM 0 HG3 GLN A 121 13.887 3.109 -1.577 1.00 0.00 H new ATOM 0 HE21 GLN A 121 15.470 4.821 -4.344 1.00 0.00 H new ATOM 0 HE22 GLN A 121 14.778 3.778 -5.591 1.00 0.00 H new ATOM 1879 N GLY A 122 11.788 3.637 -0.049 1.00 0.00 N ATOM 1880 CA GLY A 122 11.357 3.353 1.320 1.00 0.00 C ATOM 1881 C GLY A 122 12.519 3.136 2.243 1.00 0.00 C ATOM 1882 O GLY A 122 12.924 1.999 2.417 1.00 0.00 O ATOM 0 H GLY A 122 12.322 2.886 -0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 122 10.752 4.181 1.688 1.00 0.00 H new ATOM 0 HA3 GLY A 122 10.721 2.467 1.323 1.00 0.00 H new ATOM 1886 N LYS A 123 13.084 4.235 2.744 1.00 0.00 N ATOM 1887 CA LYS A 123 14.187 4.160 3.703 1.00 0.00 C ATOM 1888 C LYS A 123 13.696 3.962 5.130 1.00 0.00 C ATOM 1889 O LYS A 123 14.112 3.026 5.794 1.00 0.00 O ATOM 1890 CB LYS A 123 15.080 5.396 3.624 1.00 0.00 C ATOM 1891 CG LYS A 123 15.662 5.594 2.221 1.00 0.00 C ATOM 1892 CD LYS A 123 17.001 6.336 2.296 1.00 0.00 C ATOM 1893 CE LYS A 123 17.753 6.208 0.970 1.00 0.00 C ATOM 1894 NZ LYS A 123 18.669 7.354 0.743 1.00 0.00 N ATOM 0 H LYS A 123 12.798 5.184 2.503 1.00 0.00 H new ATOM 0 HA LYS A 123 14.775 3.285 3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 123 14.504 6.278 3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 123 15.893 5.303 4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 123 15.802 4.626 1.739 1.00 0.00 H new ATOM 0 HG3 LYS A 123 14.961 6.158 1.606 1.00 0.00 H new ATOM 0 HD2 LYS A 123 16.829 7.388 2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 123 17.606 5.928 3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 123 18.324 5.280 0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 123 17.037 6.147 0.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 19.160 7.231 -0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 18.121 8.238 0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 19.368 7.397 1.512 1.00 0.00 H new ATOM 1908 N GLU A 124 12.823 4.857 5.574 1.00 0.00 N ATOM 1909 CA GLU A 124 12.259 4.813 6.917 1.00 0.00 C ATOM 1910 C GLU A 124 11.165 3.743 7.005 1.00 0.00 C ATOM 1911 O GLU A 124 10.834 3.085 6.016 1.00 0.00 O ATOM 1912 CB GLU A 124 11.731 6.207 7.300 1.00 0.00 C ATOM 1913 CG GLU A 124 12.768 7.089 8.007 1.00 0.00 C ATOM 1914 CD GLU A 124 13.828 7.664 7.049 1.00 0.00 C ATOM 1915 OE1 GLU A 124 14.558 6.876 6.408 1.00 0.00 O ATOM 1916 OE2 GLU A 124 13.865 8.903 6.879 1.00 0.00 O ATOM 0 H GLU A 124 12.485 5.637 5.010 1.00 0.00 H new ATOM 0 HA GLU A 124 13.036 4.537 7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.389 6.716 6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.863 6.091 7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 124 12.256 7.911 8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 124 13.266 6.505 8.781 1.00 0.00 H new ATOM 1923 N PHE A 125 10.583 3.585 8.193 1.00 0.00 N ATOM 1924 CA PHE A 125 9.462 2.681 8.404 1.00 0.00 C ATOM 1925 C PHE A 125 8.255 3.026 7.506 1.00 0.00 C ATOM 1926 O PHE A 125 8.207 4.058 6.823 1.00 0.00 O ATOM 1927 CB PHE A 125 9.086 2.666 9.895 1.00 0.00 C ATOM 1928 CG PHE A 125 7.909 3.546 10.251 1.00 0.00 C ATOM 1929 CD1 PHE A 125 7.945 4.918 9.955 1.00 0.00 C ATOM 1930 CD2 PHE A 125 6.739 2.980 10.789 1.00 0.00 C ATOM 1931 CE1 PHE A 125 6.848 5.728 10.255 1.00 0.00 C ATOM 1932 CE2 PHE A 125 5.631 3.790 11.070 1.00 0.00 C ATOM 1933 CZ PHE A 125 5.693 5.169 10.826 1.00 0.00 C ATOM 0 H PHE A 125 10.878 4.082 9.034 1.00 0.00 H new ATOM 0 HA PHE A 125 9.770 1.677 8.112 1.00 0.00 H new ATOM 0 HB2 PHE A 125 8.860 1.641 10.190 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.951 2.983 10.478 1.00 0.00 H new ATOM 0 HD1 PHE A 125 8.822 5.347 9.495 1.00 0.00 H new ATOM 0 HD2 PHE A 125 6.695 1.919 10.986 1.00 0.00 H new ATOM 0 HE1 PHE A 125 6.888 6.787 10.047 1.00 0.00 H new ATOM 0 HE2 PHE A 125 4.730 3.352 11.474 1.00 0.00 H new ATOM 0 HZ PHE A 125 4.854 5.801 11.077 1.00 0.00 H new ATOM 1943 N PHE A 126 7.247 2.163 7.551 1.00 0.00 N ATOM 1944 CA PHE A 126 6.029 2.310 6.774 1.00 0.00 C ATOM 1945 C PHE A 126 4.937 2.943 7.634 1.00 0.00 C ATOM 1946 O PHE A 126 4.266 2.292 8.441 1.00 0.00 O ATOM 1947 CB PHE A 126 5.616 0.958 6.222 1.00 0.00 C ATOM 1948 CG PHE A 126 6.524 0.386 5.150 1.00 0.00 C ATOM 1949 CD1 PHE A 126 7.909 0.226 5.336 1.00 0.00 C ATOM 1950 CD2 PHE A 126 5.963 -0.010 3.933 1.00 0.00 C ATOM 1951 CE1 PHE A 126 8.715 -0.267 4.304 1.00 0.00 C ATOM 1952 CE2 PHE A 126 6.743 -0.610 2.936 1.00 0.00 C ATOM 1953 CZ PHE A 126 8.136 -0.712 3.107 1.00 0.00 C ATOM 0 H PHE A 126 7.256 1.329 8.139 1.00 0.00 H new ATOM 0 HA PHE A 126 6.200 2.976 5.928 1.00 0.00 H new ATOM 0 HB2 PHE A 126 5.565 0.248 7.047 1.00 0.00 H new ATOM 0 HB3 PHE A 126 4.609 1.044 5.813 1.00 0.00 H new ATOM 0 HD1 PHE A 126 8.355 0.486 6.285 1.00 0.00 H new ATOM 0 HD2 PHE A 126 4.909 0.149 3.758 1.00 0.00 H new ATOM 0 HE1 PHE A 126 9.787 -0.305 4.430 1.00 0.00 H new ATOM 0 HE2 PHE A 126 6.277 -0.993 2.040 1.00 0.00 H new ATOM 0 HZ PHE A 126 8.753 -1.129 2.324 1.00 0.00 H new ATOM 1963 N GLU A 127 4.789 4.252 7.512 1.00 0.00 N ATOM 1964 CA GLU A 127 3.715 5.001 8.132 1.00 0.00 C ATOM 1965 C GLU A 127 2.390 4.778 7.397 1.00 0.00 C ATOM 1966 O GLU A 127 2.309 4.819 6.176 1.00 0.00 O ATOM 1967 CB GLU A 127 4.108 6.472 8.267 1.00 0.00 C ATOM 1968 CG GLU A 127 4.462 7.175 6.961 1.00 0.00 C ATOM 1969 CD GLU A 127 3.291 7.967 6.384 1.00 0.00 C ATOM 1970 OE1 GLU A 127 2.190 7.927 6.958 1.00 0.00 O ATOM 1971 OE2 GLU A 127 3.503 8.602 5.339 1.00 0.00 O ATOM 0 H GLU A 127 5.427 4.833 6.968 1.00 0.00 H new ATOM 0 HA GLU A 127 3.550 4.631 9.144 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.285 7.009 8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.962 6.542 8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 127 5.302 7.848 7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.790 6.434 6.231 1.00 0.00 H new ATOM 1978 N LYS A 128 1.349 4.425 8.147 1.00 0.00 N ATOM 1979 CA LYS A 128 -0.013 4.288 7.614 1.00 0.00 C ATOM 1980 C LYS A 128 -0.527 5.617 7.056 1.00 0.00 C ATOM 1981 O LYS A 128 -0.235 6.650 7.636 1.00 0.00 O ATOM 1982 CB LYS A 128 -0.980 3.866 8.710 1.00 0.00 C ATOM 1983 CG LYS A 128 -0.556 2.574 9.388 1.00 0.00 C ATOM 1984 CD LYS A 128 -1.134 2.454 10.797 1.00 0.00 C ATOM 1985 CE LYS A 128 -0.406 3.395 11.768 1.00 0.00 C ATOM 1986 NZ LYS A 128 0.872 2.820 12.269 1.00 0.00 N ATOM 0 H LYS A 128 1.422 4.224 9.144 1.00 0.00 H new ATOM 0 HA LYS A 128 0.036 3.537 6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -1.049 4.659 9.455 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -1.976 3.740 8.284 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -0.883 1.725 8.788 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.532 2.530 9.437 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -2.197 2.693 10.780 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -1.044 1.425 11.145 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -0.203 4.342 11.268 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -1.058 3.615 12.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 1.324 3.493 12.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 0.679 1.930 12.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 1.507 2.635 11.467 1.00 0.00 H new ATOM 2000 N CYS A 129 -1.388 5.564 6.051 1.00 0.00 N ATOM 2001 CA CYS A 129 -1.989 6.761 5.471 1.00 0.00 C ATOM 2002 C CYS A 129 -3.079 7.345 6.381 1.00 0.00 C ATOM 2003 O CYS A 129 -3.573 6.639 7.265 1.00 0.00 O ATOM 2004 CB CYS A 129 -2.530 6.399 4.090 1.00 0.00 C ATOM 2005 SG CYS A 129 -1.176 6.071 2.932 1.00 0.00 S ATOM 0 H CYS A 129 -1.691 4.694 5.614 1.00 0.00 H new ATOM 0 HA CYS A 129 -1.236 7.542 5.372 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -3.171 5.521 4.165 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -3.148 7.213 3.712 1.00 0.00 H new ATOM 2010 N ASP A 130 -3.443 8.607 6.143 1.00 0.00 N ATOM 2011 CA ASP A 130 -4.458 9.371 6.890 1.00 0.00 C ATOM 2012 C ASP A 130 -5.634 9.783 5.985 1.00 0.00 C ATOM 2013 O ASP A 130 -5.374 10.406 4.930 1.00 0.00 O ATOM 2014 CB ASP A 130 -3.790 10.580 7.595 1.00 0.00 C ATOM 2015 CG ASP A 130 -4.482 11.058 8.893 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -5.724 11.205 8.920 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -3.734 11.358 9.867 1.00 0.00 O ATOM 2018 OXT ASP A 130 -6.779 9.381 6.281 1.00 0.00 O ATOM 0 H ASP A 130 -3.022 9.153 5.391 1.00 0.00 H new ATOM 0 HA ASP A 130 -4.887 8.733 7.662 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -2.758 10.317 7.829 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -3.755 11.414 6.894 1.00 0.00 H new TER 2023 ASP A 130