USER MOD reduce.3.24.130724 H: found=0, std=0, add=1028, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1031 hydrogens (14 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 NoAdj-H: B 287 ALY H : B 287 ALY N : B 286 ILE C :(H bumps) USER MOD Set 1.1: A 69 GLN : amide:sc= 0.363 K(o=0.77,f=-1.1) USER MOD Set 1.2: A 107 TYR OH : rot 135:sc= 0.404 USER MOD Set 2.1: A 81 ASN : amide:sc= -3.05! C(o=-2.7!,f=-6.2!) USER MOD Set 2.2: A 82 CYS SG : rot 73:sc= 0.394 USER MOD Set 3.1: A 59 LYS NZ :NH3+ 155:sc= 1.83 (180deg=1.05) USER MOD Set 3.2: A 65 TYR OH : rot 41:sc= -0.357 USER MOD Set 4.1: A 11 ASN : amide:sc= 1.06 K(o=2.3,f=-8.6!) USER MOD Set 4.2: A 57 LYS NZ :NH3+ -136:sc= 1.2 (180deg=-0.0723) USER MOD Set 5.1: A 22 HIS : no HD1:sc= -0.337 K(o=0.29,f=-4.1!) USER MOD Set 5.2: A 25 TYR OH : rot -28:sc= 0.623 USER MOD Set 6.1: A 10 CYS SG : rot -19:sc= -2.82! USER MOD Set 6.2: A 60 MET CE :methyl -151:sc= -3.01 (180deg=-0.884) USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.0047 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.664 X(o=-0.66,f=-0.65) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.68 X(o=-0.68,f=-0.52) USER MOD Single : A 15 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00872) USER MOD Single : A 19 SER OG : rot 56:sc= 1.18 USER MOD Single : A 20 LYS NZ :NH3+ -168:sc=-0.00549 (180deg=-0.147) USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= -0.0101 (180deg=-0.167) USER MOD Single : A 30 TYR OH : rot -140:sc= 0.359 USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= -0.127 (180deg=-0.524) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.0272 X(o=-0.027,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc=-0.00388 X(o=-0.0039,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0954) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 51 MET CE :methyl 159:sc= -0.0581 (180deg=-0.451) USER MOD Single : A 54 SER OG : rot 77:sc= 1.31 USER MOD Single : A 55 THR OG1 : rot 147:sc= 0.531 USER MOD Single : A 62 ASN : amide:sc= -1.69! K(o=-1.7!,f=-0.02) USER MOD Single : A 78 MET CE :methyl 145:sc= -1.53 (180deg=-4.12!) USER MOD Single : A 80 SER OG : rot 60:sc= 1.21 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.0236 USER MOD Single : A 84 LYS NZ :NH3+ 172:sc= 0.818 (180deg=0.757) USER MOD Single : A 85 TYR OH : rot 15:sc= -1.55 USER MOD Single : A 86 ASN : amide:sc= 0.334 K(o=0.33,f=-0.93) USER MOD Single : A 90 HIS : no HD1:sc= -0.905 K(o=-0.9,f=-3.1!) USER MOD Single : A 95 MET CE :methyl -107:sc= -1.21 (180deg=-3.23!) USER MOD Single : A 98 LYS NZ :NH3+ 169:sc= -0.0331 (180deg=-0.168) USER MOD Single : A 100 GLN : amide:sc= -0.0949 K(o=-0.095,f=-0.71) USER MOD Single : A 109 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0356) USER MOD Single : A 110 MET CE :methyl 151:sc= -2.46! (180deg=-3.87!) USER MOD Single : B 281 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : B 282 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 288 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.37) USER MOD Single : B 291 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 292 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.755 12.656 -4.571 1.00 0.00 N ATOM 2 CA GLY A 1 20.825 11.611 -5.058 1.00 0.00 C ATOM 3 C GLY A 1 21.266 10.229 -4.635 1.00 0.00 C ATOM 4 O GLY A 1 21.660 10.037 -3.486 1.00 0.00 O ATOM 0 H1 GLY A 1 21.210 13.463 -4.205 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.348 12.266 -3.811 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.361 12.974 -5.354 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.824 11.807 -4.674 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.764 11.657 -6.145 1.00 0.00 H new ATOM 10 N LYS A 2 21.206 9.281 -5.570 1.00 0.00 N ATOM 11 CA LYS A 2 21.581 7.887 -5.321 1.00 0.00 C ATOM 12 C LYS A 2 20.620 7.196 -4.357 1.00 0.00 C ATOM 13 O LYS A 2 19.782 7.830 -3.716 1.00 0.00 O ATOM 14 CB LYS A 2 23.014 7.777 -4.795 1.00 0.00 C ATOM 15 CG LYS A 2 24.077 8.120 -5.825 1.00 0.00 C ATOM 16 CD LYS A 2 24.028 7.168 -7.008 1.00 0.00 C ATOM 17 CE LYS A 2 25.156 7.431 -7.988 1.00 0.00 C ATOM 18 NZ LYS A 2 25.091 6.516 -9.155 1.00 0.00 N ATOM 0 H LYS A 2 20.895 9.458 -6.525 1.00 0.00 H new ATOM 0 HA LYS A 2 21.520 7.377 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 2 23.127 8.439 -3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 2 23.182 6.761 -4.438 1.00 0.00 H new ATOM 0 HG2 LYS A 2 23.933 9.143 -6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 2 25.063 8.077 -5.362 1.00 0.00 H new ATOM 0 HD2 LYS A 2 24.089 6.140 -6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 2 23.071 7.272 -7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 2 25.106 8.464 -8.332 1.00 0.00 H new ATOM 0 HE3 LYS A 2 26.114 7.309 -7.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 25.877 6.724 -9.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 25.163 5.531 -8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 24.187 6.651 -9.652 1.00 0.00 H new ATOM 32 N LEU A 3 20.717 5.880 -4.311 1.00 0.00 N ATOM 33 CA LEU A 3 19.945 5.079 -3.378 1.00 0.00 C ATOM 34 C LEU A 3 20.887 4.322 -2.454 1.00 0.00 C ATOM 35 O LEU A 3 21.599 3.415 -2.890 1.00 0.00 O ATOM 36 CB LEU A 3 19.047 4.087 -4.127 1.00 0.00 C ATOM 37 CG LEU A 3 17.805 4.678 -4.799 1.00 0.00 C ATOM 38 CD1 LEU A 3 17.124 3.619 -5.650 1.00 0.00 C ATOM 39 CD2 LEU A 3 16.830 5.212 -3.759 1.00 0.00 C ATOM 0 H LEU A 3 21.331 5.337 -4.918 1.00 0.00 H new ATOM 0 HA LEU A 3 19.311 5.744 -2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 3 19.646 3.590 -4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 3 18.724 3.318 -3.425 1.00 0.00 H new ATOM 0 HG LEU A 3 18.119 5.506 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.241 4.046 -6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 3 17.815 3.269 -6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 3 16.827 2.781 -5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.955 5.627 -4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.520 4.401 -3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.315 5.991 -3.171 1.00 0.00 H new ATOM 51 N SER A 4 20.902 4.710 -1.187 1.00 0.00 N ATOM 52 CA SER A 4 21.757 4.073 -0.196 1.00 0.00 C ATOM 53 C SER A 4 21.323 2.626 0.047 1.00 0.00 C ATOM 54 O SER A 4 20.332 2.178 -0.522 1.00 0.00 O ATOM 55 CB SER A 4 21.708 4.866 1.107 1.00 0.00 C ATOM 56 OG SER A 4 21.908 6.248 0.874 1.00 0.00 O ATOM 0 H SER A 4 20.327 5.468 -0.819 1.00 0.00 H new ATOM 0 HA SER A 4 22.780 4.060 -0.572 1.00 0.00 H new ATOM 0 HB2 SER A 4 20.745 4.712 1.593 1.00 0.00 H new ATOM 0 HB3 SER A 4 22.472 4.495 1.790 1.00 0.00 H new ATOM 0 HG SER A 4 21.870 6.732 1.725 1.00 0.00 H new ATOM 62 N GLU A 5 22.050 1.906 0.899 1.00 0.00 N ATOM 63 CA GLU A 5 21.754 0.495 1.166 1.00 0.00 C ATOM 64 C GLU A 5 20.302 0.311 1.596 1.00 0.00 C ATOM 65 O GLU A 5 19.584 -0.538 1.062 1.00 0.00 O ATOM 66 CB GLU A 5 22.680 -0.069 2.252 1.00 0.00 C ATOM 67 CG GLU A 5 24.131 -0.233 1.824 1.00 0.00 C ATOM 68 CD GLU A 5 24.842 1.084 1.605 1.00 0.00 C ATOM 69 OE1 GLU A 5 25.174 1.405 0.444 1.00 0.00 O ATOM 70 OE2 GLU A 5 25.070 1.811 2.594 1.00 0.00 O ATOM 0 H GLU A 5 22.848 2.274 1.417 1.00 0.00 H new ATOM 0 HA GLU A 5 21.923 -0.050 0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.643 0.589 3.120 1.00 0.00 H new ATOM 0 HB3 GLU A 5 22.297 -1.039 2.570 1.00 0.00 H new ATOM 0 HG2 GLU A 5 24.664 -0.804 2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 5 24.168 -0.815 0.903 1.00 0.00 H new ATOM 77 N GLN A 6 19.871 1.128 2.547 1.00 0.00 N ATOM 78 CA GLN A 6 18.510 1.060 3.066 1.00 0.00 C ATOM 79 C GLN A 6 17.497 1.385 1.965 1.00 0.00 C ATOM 80 O GLN A 6 16.467 0.722 1.844 1.00 0.00 O ATOM 81 CB GLN A 6 18.341 2.020 4.257 1.00 0.00 C ATOM 82 CG GLN A 6 18.935 1.520 5.580 1.00 0.00 C ATOM 83 CD GLN A 6 20.333 0.937 5.456 1.00 0.00 C ATOM 84 OE1 GLN A 6 21.331 1.639 5.609 1.00 0.00 O ATOM 85 NE2 GLN A 6 20.417 -0.357 5.184 1.00 0.00 N ATOM 0 H GLN A 6 20.448 1.851 2.978 1.00 0.00 H new ATOM 0 HA GLN A 6 18.324 0.044 3.413 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.805 2.974 4.005 1.00 0.00 H new ATOM 0 HB3 GLN A 6 17.278 2.211 4.402 1.00 0.00 H new ATOM 0 HG2 GLN A 6 18.960 2.347 6.289 1.00 0.00 H new ATOM 0 HG3 GLN A 6 18.273 0.762 5.998 1.00 0.00 H new ATOM 0 HE21 GLN A 6 19.568 -0.909 5.063 1.00 0.00 H new ATOM 0 HE22 GLN A 6 21.331 -0.801 5.095 1.00 0.00 H new ATOM 94 N LEU A 7 17.811 2.380 1.139 1.00 0.00 N ATOM 95 CA LEU A 7 16.907 2.797 0.069 1.00 0.00 C ATOM 96 C LEU A 7 16.978 1.828 -1.116 1.00 0.00 C ATOM 97 O LEU A 7 16.077 1.777 -1.951 1.00 0.00 O ATOM 98 CB LEU A 7 17.218 4.233 -0.372 1.00 0.00 C ATOM 99 CG LEU A 7 17.014 5.289 0.709 1.00 0.00 C ATOM 100 CD1 LEU A 7 17.577 6.625 0.255 1.00 0.00 C ATOM 101 CD2 LEU A 7 15.538 5.426 1.055 1.00 0.00 C ATOM 0 H LEU A 7 18.681 2.911 1.189 1.00 0.00 H new ATOM 0 HA LEU A 7 15.888 2.775 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.252 4.278 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.588 4.481 -1.227 1.00 0.00 H new ATOM 0 HG LEU A 7 17.548 4.971 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.424 7.369 1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.644 6.522 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.068 6.944 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.414 6.184 1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.982 5.721 0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.160 4.471 1.420 1.00 0.00 H new ATOM 113 N LYS A 8 18.051 1.059 -1.191 1.00 0.00 N ATOM 114 CA LYS A 8 18.136 -0.030 -2.153 1.00 0.00 C ATOM 115 C LYS A 8 17.209 -1.137 -1.738 1.00 0.00 C ATOM 116 O LYS A 8 16.437 -1.667 -2.535 1.00 0.00 O ATOM 117 CB LYS A 8 19.552 -0.596 -2.226 1.00 0.00 C ATOM 118 CG LYS A 8 20.290 -0.226 -3.477 1.00 0.00 C ATOM 119 CD LYS A 8 19.474 -0.557 -4.708 1.00 0.00 C ATOM 120 CE LYS A 8 19.113 0.707 -5.445 1.00 0.00 C ATOM 121 NZ LYS A 8 20.252 1.227 -6.247 1.00 0.00 N ATOM 0 H LYS A 8 18.875 1.167 -0.599 1.00 0.00 H new ATOM 0 HA LYS A 8 17.859 0.365 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.118 -0.244 -1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 8 19.503 -1.682 -2.153 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.521 0.839 -3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 8 21.241 -0.758 -3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 8 20.041 -1.219 -5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.568 -1.091 -4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.265 0.514 -6.102 1.00 0.00 H new ATOM 0 HE3 LYS A 8 18.796 1.466 -4.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 19.962 2.097 -6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.053 1.435 -5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 20.538 0.513 -6.947 1.00 0.00 H new ATOM 135 N HIS A 9 17.310 -1.487 -0.475 1.00 0.00 N ATOM 136 CA HIS A 9 16.464 -2.522 0.087 1.00 0.00 C ATOM 137 C HIS A 9 14.995 -2.127 -0.025 1.00 0.00 C ATOM 138 O HIS A 9 14.141 -2.981 -0.255 1.00 0.00 O ATOM 139 CB HIS A 9 16.821 -2.814 1.546 1.00 0.00 C ATOM 140 CG HIS A 9 16.548 -4.239 1.927 1.00 0.00 C ATOM 141 ND1 HIS A 9 17.534 -5.122 2.305 1.00 0.00 N ATOM 142 CD2 HIS A 9 15.391 -4.938 1.964 1.00 0.00 C ATOM 143 CE1 HIS A 9 16.994 -6.301 2.554 1.00 0.00 C ATOM 144 NE2 HIS A 9 15.695 -6.215 2.356 1.00 0.00 N ATOM 0 H HIS A 9 17.969 -1.072 0.184 1.00 0.00 H new ATOM 0 HA HIS A 9 16.635 -3.433 -0.487 1.00 0.00 H new ATOM 0 HB2 HIS A 9 17.875 -2.592 1.711 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.251 -2.151 2.197 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.408 -4.559 1.728 1.00 0.00 H new ATOM 0 HE1 HIS A 9 17.528 -7.186 2.867 1.00 0.00 H new ATOM 0 HE2 HIS A 9 15.025 -6.975 2.475 1.00 0.00 H new ATOM 153 N CYS A 10 14.697 -0.836 0.119 1.00 0.00 N ATOM 154 CA CYS A 10 13.322 -0.377 -0.020 1.00 0.00 C ATOM 155 C CYS A 10 12.886 -0.472 -1.477 1.00 0.00 C ATOM 156 O CYS A 10 11.711 -0.698 -1.769 1.00 0.00 O ATOM 157 CB CYS A 10 13.138 1.051 0.522 1.00 0.00 C ATOM 158 SG CYS A 10 13.743 2.383 -0.534 1.00 0.00 S ATOM 0 H CYS A 10 15.377 -0.105 0.328 1.00 0.00 H new ATOM 0 HA CYS A 10 12.686 -1.027 0.580 1.00 0.00 H new ATOM 0 HB2 CYS A 10 12.076 1.214 0.706 1.00 0.00 H new ATOM 0 HB3 CYS A 10 13.643 1.120 1.485 1.00 0.00 H new ATOM 0 HG CYS A 10 14.588 1.903 -1.398 1.00 0.00 H new ATOM 164 N ASN A 11 13.846 -0.333 -2.387 1.00 0.00 N ATOM 165 CA ASN A 11 13.577 -0.496 -3.807 1.00 0.00 C ATOM 166 C ASN A 11 13.228 -1.951 -4.101 1.00 0.00 C ATOM 167 O ASN A 11 12.302 -2.245 -4.860 1.00 0.00 O ATOM 168 CB ASN A 11 14.800 -0.089 -4.636 1.00 0.00 C ATOM 169 CG ASN A 11 14.520 -0.095 -6.125 1.00 0.00 C ATOM 170 OD1 ASN A 11 13.416 0.223 -6.564 1.00 0.00 O ATOM 171 ND2 ASN A 11 15.510 -0.484 -6.912 1.00 0.00 N ATOM 0 H ASN A 11 14.816 -0.108 -2.164 1.00 0.00 H new ATOM 0 HA ASN A 11 12.738 0.145 -4.077 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.124 0.907 -4.335 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.623 -0.770 -4.422 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.372 -0.528 -7.922 1.00 0.00 H new ATOM 0 HD22 ASN A 11 16.411 -0.740 -6.509 1.00 0.00 H new ATOM 178 N GLY A 12 13.972 -2.857 -3.472 1.00 0.00 N ATOM 179 CA GLY A 12 13.775 -4.281 -3.687 1.00 0.00 C ATOM 180 C GLY A 12 12.454 -4.781 -3.133 1.00 0.00 C ATOM 181 O GLY A 12 11.771 -5.587 -3.770 1.00 0.00 O ATOM 0 H GLY A 12 14.714 -2.627 -2.811 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.819 -4.492 -4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.592 -4.831 -3.219 1.00 0.00 H new ATOM 185 N ILE A 13 12.099 -4.309 -1.945 1.00 0.00 N ATOM 186 CA ILE A 13 10.840 -4.685 -1.311 1.00 0.00 C ATOM 187 C ILE A 13 9.657 -4.222 -2.155 1.00 0.00 C ATOM 188 O ILE A 13 8.767 -5.008 -2.485 1.00 0.00 O ATOM 189 CB ILE A 13 10.731 -4.080 0.106 1.00 0.00 C ATOM 190 CG1 ILE A 13 11.837 -4.632 1.013 1.00 0.00 C ATOM 191 CG2 ILE A 13 9.361 -4.343 0.701 1.00 0.00 C ATOM 192 CD1 ILE A 13 11.935 -3.943 2.356 1.00 0.00 C ATOM 0 H ILE A 13 12.667 -3.662 -1.398 1.00 0.00 H new ATOM 0 HA ILE A 13 10.821 -5.772 -1.231 1.00 0.00 H new ATOM 0 HB ILE A 13 10.861 -3.001 0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.663 -5.696 1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 13 12.794 -4.540 0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.308 -3.908 1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.597 -3.893 0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.192 -5.418 0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 13 12.741 -4.392 2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 13 12.142 -2.883 2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 13 10.993 -4.057 2.893 1.00 0.00 H new ATOM 204 N LEU A 14 9.673 -2.943 -2.512 1.00 0.00 N ATOM 205 CA LEU A 14 8.631 -2.345 -3.327 1.00 0.00 C ATOM 206 C LEU A 14 8.465 -3.098 -4.642 1.00 0.00 C ATOM 207 O LEU A 14 7.351 -3.423 -5.048 1.00 0.00 O ATOM 208 CB LEU A 14 8.987 -0.891 -3.612 1.00 0.00 C ATOM 209 CG LEU A 14 7.813 0.066 -3.650 1.00 0.00 C ATOM 210 CD1 LEU A 14 8.331 1.484 -3.605 1.00 0.00 C ATOM 211 CD2 LEU A 14 6.971 -0.142 -4.896 1.00 0.00 C ATOM 0 H LEU A 14 10.412 -2.293 -2.242 1.00 0.00 H new ATOM 0 HA LEU A 14 7.689 -2.399 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.689 -0.550 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.506 -0.842 -4.569 1.00 0.00 H new ATOM 0 HG LEU A 14 7.177 -0.126 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.492 2.179 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.898 1.635 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.978 1.663 -4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.137 0.560 -4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.584 0.026 -5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.587 -1.162 -4.909 1.00 0.00 H new ATOM 223 N LYS A 15 9.587 -3.377 -5.294 1.00 0.00 N ATOM 224 CA LYS A 15 9.603 -4.071 -6.560 1.00 0.00 C ATOM 225 C LYS A 15 8.894 -5.416 -6.453 1.00 0.00 C ATOM 226 O LYS A 15 8.173 -5.829 -7.362 1.00 0.00 O ATOM 227 CB LYS A 15 11.056 -4.260 -6.995 1.00 0.00 C ATOM 228 CG LYS A 15 11.281 -5.510 -7.806 1.00 0.00 C ATOM 229 CD LYS A 15 10.807 -5.358 -9.238 1.00 0.00 C ATOM 230 CE LYS A 15 11.269 -6.527 -10.081 1.00 0.00 C ATOM 231 NZ LYS A 15 12.698 -6.410 -10.468 1.00 0.00 N ATOM 0 H LYS A 15 10.513 -3.123 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 15 9.070 -3.480 -7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.367 -3.395 -7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.691 -4.291 -6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.342 -5.758 -7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.757 -6.343 -7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.719 -5.294 -9.261 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.190 -4.427 -9.656 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.119 -7.454 -9.527 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.655 -6.590 -10.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.952 -7.196 -11.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.851 -5.507 -10.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.293 -6.445 -9.615 1.00 0.00 H new ATOM 245 N GLU A 16 9.093 -6.082 -5.335 1.00 0.00 N ATOM 246 CA GLU A 16 8.527 -7.409 -5.137 1.00 0.00 C ATOM 247 C GLU A 16 7.017 -7.332 -4.949 1.00 0.00 C ATOM 248 O GLU A 16 6.269 -8.112 -5.541 1.00 0.00 O ATOM 249 CB GLU A 16 9.157 -8.120 -3.932 1.00 0.00 C ATOM 250 CG GLU A 16 8.570 -9.505 -3.673 1.00 0.00 C ATOM 251 CD GLU A 16 8.647 -9.923 -2.231 1.00 0.00 C ATOM 252 OE1 GLU A 16 9.231 -9.183 -1.423 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.123 -11.014 -1.907 1.00 0.00 O ATOM 0 H GLU A 16 9.640 -5.732 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 16 8.750 -7.987 -6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.231 -8.213 -4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.021 -7.504 -3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.528 -9.516 -3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.098 -10.236 -4.285 1.00 0.00 H new ATOM 260 N LEU A 17 6.577 -6.390 -4.124 1.00 0.00 N ATOM 261 CA LEU A 17 5.148 -6.163 -3.907 1.00 0.00 C ATOM 262 C LEU A 17 4.485 -5.743 -5.226 1.00 0.00 C ATOM 263 O LEU A 17 3.280 -5.899 -5.408 1.00 0.00 O ATOM 264 CB LEU A 17 4.941 -5.089 -2.824 1.00 0.00 C ATOM 265 CG LEU A 17 5.573 -5.383 -1.457 1.00 0.00 C ATOM 266 CD1 LEU A 17 5.789 -4.088 -0.702 1.00 0.00 C ATOM 267 CD2 LEU A 17 4.693 -6.310 -0.630 1.00 0.00 C ATOM 0 H LEU A 17 7.187 -5.769 -3.593 1.00 0.00 H new ATOM 0 HA LEU A 17 4.684 -7.087 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.344 -4.146 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.870 -4.944 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 17 6.529 -5.877 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.238 -4.303 0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.453 -3.440 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.832 -3.588 -0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.168 -6.499 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.722 -5.842 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.559 -7.253 -1.160 1.00 0.00 H new ATOM 279 N LEU A 18 5.298 -5.228 -6.147 1.00 0.00 N ATOM 280 CA LEU A 18 4.829 -4.834 -7.475 1.00 0.00 C ATOM 281 C LEU A 18 4.951 -5.970 -8.488 1.00 0.00 C ATOM 282 O LEU A 18 4.378 -5.907 -9.579 1.00 0.00 O ATOM 283 CB LEU A 18 5.631 -3.645 -7.987 1.00 0.00 C ATOM 284 CG LEU A 18 5.365 -2.324 -7.282 1.00 0.00 C ATOM 285 CD1 LEU A 18 6.278 -1.255 -7.846 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.910 -1.911 -7.425 1.00 0.00 C ATOM 0 H LEU A 18 6.295 -5.073 -5.995 1.00 0.00 H new ATOM 0 HA LEU A 18 3.777 -4.570 -7.371 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.692 -3.878 -7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.422 -3.518 -9.049 1.00 0.00 H new ATOM 0 HG LEU A 18 5.571 -2.449 -6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.086 -0.309 -7.340 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.317 -1.545 -7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.088 -1.141 -8.913 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.749 -0.963 -6.911 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.666 -1.797 -8.481 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.270 -2.676 -6.985 1.00 0.00 H new ATOM 298 N SER A 19 5.716 -6.989 -8.145 1.00 0.00 N ATOM 299 CA SER A 19 5.926 -8.117 -9.041 1.00 0.00 C ATOM 300 C SER A 19 4.652 -8.938 -9.196 1.00 0.00 C ATOM 301 O SER A 19 3.842 -9.041 -8.270 1.00 0.00 O ATOM 302 CB SER A 19 7.058 -8.999 -8.518 1.00 0.00 C ATOM 303 OG SER A 19 8.284 -8.284 -8.482 1.00 0.00 O ATOM 0 H SER A 19 6.204 -7.062 -7.252 1.00 0.00 H new ATOM 0 HA SER A 19 6.200 -7.726 -10.021 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.812 -9.358 -7.518 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.164 -9.877 -9.155 1.00 0.00 H new ATOM 0 HG SER A 19 8.172 -7.468 -7.951 1.00 0.00 H new ATOM 309 N LYS A 20 4.504 -9.537 -10.378 1.00 0.00 N ATOM 310 CA LYS A 20 3.303 -10.286 -10.747 1.00 0.00 C ATOM 311 C LYS A 20 3.058 -11.459 -9.807 1.00 0.00 C ATOM 312 O LYS A 20 1.956 -12.006 -9.762 1.00 0.00 O ATOM 313 CB LYS A 20 3.398 -10.783 -12.195 1.00 0.00 C ATOM 314 CG LYS A 20 3.033 -9.729 -13.247 1.00 0.00 C ATOM 315 CD LYS A 20 3.892 -8.473 -13.146 1.00 0.00 C ATOM 316 CE LYS A 20 3.530 -7.441 -14.212 1.00 0.00 C ATOM 317 NZ LYS A 20 3.759 -7.956 -15.588 1.00 0.00 N ATOM 0 H LYS A 20 5.216 -9.516 -11.108 1.00 0.00 H new ATOM 0 HA LYS A 20 2.457 -9.604 -10.660 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.414 -11.130 -12.382 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.740 -11.644 -12.316 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.144 -10.161 -14.242 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.984 -9.456 -13.133 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.771 -8.030 -12.157 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.943 -8.744 -13.247 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.483 -7.157 -14.101 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.123 -6.539 -14.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.698 -7.171 -16.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.703 -8.390 -15.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.037 -8.668 -15.817 1.00 0.00 H new ATOM 331 N LYS A 21 4.088 -11.840 -9.064 1.00 0.00 N ATOM 332 CA LYS A 21 3.958 -12.847 -8.022 1.00 0.00 C ATOM 333 C LYS A 21 2.894 -12.439 -7.004 1.00 0.00 C ATOM 334 O LYS A 21 2.089 -13.257 -6.565 1.00 0.00 O ATOM 335 CB LYS A 21 5.301 -13.046 -7.314 1.00 0.00 C ATOM 336 CG LYS A 21 5.217 -13.952 -6.097 1.00 0.00 C ATOM 337 CD LYS A 21 6.550 -14.075 -5.394 1.00 0.00 C ATOM 338 CE LYS A 21 6.537 -15.257 -4.449 1.00 0.00 C ATOM 339 NZ LYS A 21 6.626 -16.551 -5.174 1.00 0.00 N ATOM 0 H LYS A 21 5.030 -11.463 -9.166 1.00 0.00 H new ATOM 0 HA LYS A 21 3.653 -13.784 -8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.017 -13.466 -8.021 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.689 -12.074 -7.008 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.475 -13.559 -5.402 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.875 -14.941 -6.403 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.346 -14.196 -6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.763 -13.160 -4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.371 -15.174 -3.753 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.623 -15.236 -3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.868 -17.308 -4.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.711 -16.763 -5.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.362 -16.489 -5.907 1.00 0.00 H new ATOM 353 N HIS A 22 2.881 -11.161 -6.648 1.00 0.00 N ATOM 354 CA HIS A 22 1.973 -10.674 -5.618 1.00 0.00 C ATOM 355 C HIS A 22 0.823 -9.907 -6.240 1.00 0.00 C ATOM 356 O HIS A 22 -0.200 -9.707 -5.597 1.00 0.00 O ATOM 357 CB HIS A 22 2.712 -9.782 -4.608 1.00 0.00 C ATOM 358 CG HIS A 22 3.817 -10.489 -3.880 1.00 0.00 C ATOM 359 ND1 HIS A 22 3.610 -11.287 -2.769 1.00 0.00 N ATOM 360 CD2 HIS A 22 5.147 -10.516 -4.113 1.00 0.00 C ATOM 361 CE1 HIS A 22 4.766 -11.770 -2.353 1.00 0.00 C ATOM 362 NE2 HIS A 22 5.721 -11.317 -3.148 1.00 0.00 N ATOM 0 H HIS A 22 3.485 -10.447 -7.054 1.00 0.00 H new ATOM 0 HA HIS A 22 1.575 -11.540 -5.088 1.00 0.00 H new ATOM 0 HB2 HIS A 22 3.126 -8.920 -5.131 1.00 0.00 H new ATOM 0 HB3 HIS A 22 1.996 -9.399 -3.881 1.00 0.00 H new ATOM 0 HD2 HIS A 22 5.666 -10.004 -4.910 1.00 0.00 H new ATOM 0 HE1 HIS A 22 4.908 -12.425 -1.506 1.00 0.00 H new ATOM 0 HE2 HIS A 22 6.716 -11.525 -3.062 1.00 0.00 H new ATOM 371 N ALA A 23 0.993 -9.513 -7.500 1.00 0.00 N ATOM 372 CA ALA A 23 0.015 -8.697 -8.224 1.00 0.00 C ATOM 373 C ALA A 23 -1.412 -9.212 -8.076 1.00 0.00 C ATOM 374 O ALA A 23 -2.357 -8.425 -8.013 1.00 0.00 O ATOM 375 CB ALA A 23 0.392 -8.636 -9.691 1.00 0.00 C ATOM 0 H ALA A 23 1.817 -9.751 -8.052 1.00 0.00 H new ATOM 0 HA ALA A 23 0.038 -7.700 -7.785 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.336 -8.029 -10.229 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.382 -8.192 -9.794 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.402 -9.644 -10.106 1.00 0.00 H new ATOM 381 N ALA A 24 -1.553 -10.529 -8.006 1.00 0.00 N ATOM 382 CA ALA A 24 -2.853 -11.179 -7.864 1.00 0.00 C ATOM 383 C ALA A 24 -3.610 -10.686 -6.627 1.00 0.00 C ATOM 384 O ALA A 24 -4.835 -10.784 -6.558 1.00 0.00 O ATOM 385 CB ALA A 24 -2.656 -12.684 -7.798 1.00 0.00 C ATOM 0 H ALA A 24 -0.769 -11.180 -8.046 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.459 -10.921 -8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.624 -13.173 -7.692 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.174 -13.028 -8.713 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.029 -12.932 -6.942 1.00 0.00 H new ATOM 391 N TYR A 25 -2.878 -10.168 -5.650 1.00 0.00 N ATOM 392 CA TYR A 25 -3.478 -9.632 -4.435 1.00 0.00 C ATOM 393 C TYR A 25 -2.775 -8.345 -4.001 1.00 0.00 C ATOM 394 O TYR A 25 -2.928 -7.895 -2.867 1.00 0.00 O ATOM 395 CB TYR A 25 -3.445 -10.685 -3.313 1.00 0.00 C ATOM 396 CG TYR A 25 -2.135 -11.435 -3.193 1.00 0.00 C ATOM 397 CD1 TYR A 25 -1.028 -10.859 -2.586 1.00 0.00 C ATOM 398 CD2 TYR A 25 -2.013 -12.732 -3.679 1.00 0.00 C ATOM 399 CE1 TYR A 25 0.162 -11.551 -2.472 1.00 0.00 C ATOM 400 CE2 TYR A 25 -0.824 -13.426 -3.569 1.00 0.00 C ATOM 401 CZ TYR A 25 0.259 -12.828 -2.965 1.00 0.00 C ATOM 402 OH TYR A 25 1.445 -13.511 -2.843 1.00 0.00 O ATOM 0 H TYR A 25 -1.860 -10.107 -5.676 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.519 -9.387 -4.644 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.655 -10.192 -2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.246 -11.404 -3.483 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.098 -9.854 -2.197 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.862 -13.205 -4.150 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.014 -11.088 -1.996 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.744 -14.432 -3.954 1.00 0.00 H new ATOM 0 HH TYR A 25 2.188 -12.873 -2.813 1.00 0.00 H new ATOM 412 N ALA A 26 -2.014 -7.753 -4.917 1.00 0.00 N ATOM 413 CA ALA A 26 -1.287 -6.518 -4.636 1.00 0.00 C ATOM 414 C ALA A 26 -1.821 -5.360 -5.475 1.00 0.00 C ATOM 415 O ALA A 26 -1.535 -4.189 -5.196 1.00 0.00 O ATOM 416 CB ALA A 26 0.207 -6.698 -4.896 1.00 0.00 C ATOM 0 H ALA A 26 -1.884 -8.110 -5.864 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.438 -6.281 -3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.729 -5.766 -4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.595 -7.488 -4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.365 -6.969 -5.940 1.00 0.00 H new ATOM 422 N TRP A 27 -2.614 -5.678 -6.498 1.00 0.00 N ATOM 423 CA TRP A 27 -3.107 -4.656 -7.421 1.00 0.00 C ATOM 424 C TRP A 27 -3.865 -3.503 -6.727 1.00 0.00 C ATOM 425 O TRP A 27 -3.765 -2.369 -7.194 1.00 0.00 O ATOM 426 CB TRP A 27 -3.955 -5.262 -8.556 1.00 0.00 C ATOM 427 CG TRP A 27 -5.151 -6.062 -8.121 1.00 0.00 C ATOM 428 CD1 TRP A 27 -5.199 -7.410 -7.916 1.00 0.00 C ATOM 429 CD2 TRP A 27 -6.479 -5.573 -7.869 1.00 0.00 C ATOM 430 NE1 TRP A 27 -6.464 -7.789 -7.547 1.00 0.00 N ATOM 431 CE2 TRP A 27 -7.269 -6.682 -7.509 1.00 0.00 C ATOM 432 CE3 TRP A 27 -7.076 -4.307 -7.905 1.00 0.00 C ATOM 433 CZ2 TRP A 27 -8.620 -6.566 -7.192 1.00 0.00 C ATOM 434 CZ3 TRP A 27 -8.417 -4.195 -7.590 1.00 0.00 C ATOM 435 CH2 TRP A 27 -9.175 -5.317 -7.238 1.00 0.00 C ATOM 0 H TRP A 27 -2.926 -6.626 -6.708 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.211 -4.216 -7.859 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.297 -4.452 -9.201 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.314 -5.902 -9.162 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.361 -8.082 -8.028 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.758 -8.742 -7.335 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -6.499 -3.434 -8.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -9.208 -7.430 -6.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -8.888 -3.224 -7.616 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -10.221 -5.194 -6.997 1.00 0.00 H new ATOM 446 N PRO A 28 -4.635 -3.731 -5.622 1.00 0.00 N ATOM 447 CA PRO A 28 -5.305 -2.630 -4.909 1.00 0.00 C ATOM 448 C PRO A 28 -4.346 -1.521 -4.475 1.00 0.00 C ATOM 449 O PRO A 28 -4.765 -0.385 -4.259 1.00 0.00 O ATOM 450 CB PRO A 28 -5.916 -3.276 -3.657 1.00 0.00 C ATOM 451 CG PRO A 28 -5.451 -4.696 -3.634 1.00 0.00 C ATOM 452 CD PRO A 28 -4.964 -5.039 -5.018 1.00 0.00 C ATOM 0 HA PRO A 28 -6.035 -2.157 -5.566 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.598 -2.750 -2.756 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.004 -3.226 -3.688 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.652 -4.825 -2.904 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.263 -5.360 -3.338 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.092 -5.692 -4.983 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.730 -5.561 -5.592 1.00 0.00 H new ATOM 460 N PHE A 29 -3.067 -1.855 -4.355 1.00 0.00 N ATOM 461 CA PHE A 29 -2.086 -0.917 -3.811 1.00 0.00 C ATOM 462 C PHE A 29 -1.166 -0.372 -4.898 1.00 0.00 C ATOM 463 O PHE A 29 -0.406 0.568 -4.661 1.00 0.00 O ATOM 464 CB PHE A 29 -1.243 -1.592 -2.728 1.00 0.00 C ATOM 465 CG PHE A 29 -2.003 -2.592 -1.911 1.00 0.00 C ATOM 466 CD1 PHE A 29 -1.704 -3.942 -2.002 1.00 0.00 C ATOM 467 CD2 PHE A 29 -3.026 -2.192 -1.066 1.00 0.00 C ATOM 468 CE1 PHE A 29 -2.406 -4.871 -1.270 1.00 0.00 C ATOM 469 CE2 PHE A 29 -3.731 -3.122 -0.328 1.00 0.00 C ATOM 470 CZ PHE A 29 -3.420 -4.464 -0.433 1.00 0.00 C ATOM 0 H PHE A 29 -2.684 -2.761 -4.624 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.641 -0.085 -3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.394 -2.089 -3.198 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.838 -0.827 -2.066 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.909 -4.269 -2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.274 -1.144 -0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.162 -5.920 -1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.525 -2.801 0.330 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.972 -5.193 0.141 1.00 0.00 H new ATOM 480 N TYR A 30 -1.217 -0.984 -6.076 1.00 0.00 N ATOM 481 CA TYR A 30 -0.433 -0.514 -7.216 1.00 0.00 C ATOM 482 C TYR A 30 -0.731 0.949 -7.517 1.00 0.00 C ATOM 483 O TYR A 30 0.172 1.786 -7.542 1.00 0.00 O ATOM 484 CB TYR A 30 -0.735 -1.356 -8.461 1.00 0.00 C ATOM 485 CG TYR A 30 -0.012 -2.681 -8.500 1.00 0.00 C ATOM 486 CD1 TYR A 30 0.383 -3.303 -7.332 1.00 0.00 C ATOM 487 CD2 TYR A 30 0.280 -3.305 -9.706 1.00 0.00 C ATOM 488 CE1 TYR A 30 1.044 -4.506 -7.352 1.00 0.00 C ATOM 489 CE2 TYR A 30 0.943 -4.516 -9.735 1.00 0.00 C ATOM 490 CZ TYR A 30 1.321 -5.110 -8.552 1.00 0.00 C ATOM 491 OH TYR A 30 1.977 -6.312 -8.566 1.00 0.00 O ATOM 0 H TYR A 30 -1.791 -1.805 -6.268 1.00 0.00 H new ATOM 0 HA TYR A 30 0.621 -0.616 -6.956 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.808 -1.539 -8.511 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.467 -0.782 -9.348 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.168 -2.833 -6.384 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.015 -2.837 -10.633 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.345 -4.975 -6.427 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.163 -4.993 -10.678 1.00 0.00 H new ATOM 0 HH TYR A 30 2.627 -6.322 -9.300 1.00 0.00 H new ATOM 501 N LYS A 31 -2.002 1.245 -7.734 1.00 0.00 N ATOM 502 CA LYS A 31 -2.428 2.563 -8.156 1.00 0.00 C ATOM 503 C LYS A 31 -3.598 3.023 -7.288 1.00 0.00 C ATOM 504 O LYS A 31 -4.284 2.184 -6.701 1.00 0.00 O ATOM 505 CB LYS A 31 -2.865 2.485 -9.618 1.00 0.00 C ATOM 506 CG LYS A 31 -1.867 1.777 -10.526 1.00 0.00 C ATOM 507 CD LYS A 31 -2.220 1.962 -11.986 1.00 0.00 C ATOM 508 CE LYS A 31 -1.265 1.194 -12.882 1.00 0.00 C ATOM 509 NZ LYS A 31 -1.211 -0.250 -12.528 1.00 0.00 N ATOM 0 H LYS A 31 -2.764 0.577 -7.622 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.610 3.276 -8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.822 1.967 -9.673 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.028 3.496 -9.992 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.865 2.165 -10.340 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.846 0.714 -10.287 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.241 1.623 -12.162 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.188 3.022 -12.239 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.577 1.302 -13.921 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.267 1.625 -12.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.806 -0.787 -13.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.617 -0.379 -11.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.172 -0.595 -12.331 1.00 0.00 H new ATOM 523 N PRO A 32 -3.849 4.345 -7.190 1.00 0.00 N ATOM 524 CA PRO A 32 -4.978 4.882 -6.416 1.00 0.00 C ATOM 525 C PRO A 32 -6.307 4.266 -6.836 1.00 0.00 C ATOM 526 O PRO A 32 -6.585 4.120 -8.031 1.00 0.00 O ATOM 527 CB PRO A 32 -4.968 6.385 -6.749 1.00 0.00 C ATOM 528 CG PRO A 32 -4.090 6.511 -7.946 1.00 0.00 C ATOM 529 CD PRO A 32 -3.063 5.433 -7.797 1.00 0.00 C ATOM 0 HA PRO A 32 -4.876 4.666 -5.353 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.974 6.749 -6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.583 6.971 -5.914 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.660 6.387 -8.867 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.624 7.495 -7.990 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.635 5.141 -8.756 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.235 5.743 -7.160 1.00 0.00 H new ATOM 537 N VAL A 33 -7.119 3.893 -5.849 1.00 0.00 N ATOM 538 CA VAL A 33 -8.437 3.338 -6.120 1.00 0.00 C ATOM 539 C VAL A 33 -9.263 4.363 -6.888 1.00 0.00 C ATOM 540 O VAL A 33 -9.165 5.569 -6.635 1.00 0.00 O ATOM 541 CB VAL A 33 -9.174 2.903 -4.819 1.00 0.00 C ATOM 542 CG1 VAL A 33 -8.187 2.420 -3.774 1.00 0.00 C ATOM 543 CG2 VAL A 33 -10.075 3.995 -4.260 1.00 0.00 C ATOM 0 H VAL A 33 -6.886 3.966 -4.859 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.309 2.438 -6.722 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.826 2.072 -5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.726 2.122 -2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.632 1.567 -4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.492 3.224 -3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.563 3.636 -3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.477 4.876 -4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.832 4.257 -5.000 1.00 0.00 H new ATOM 553 N ASP A 34 -10.053 3.896 -7.834 1.00 0.00 N ATOM 554 CA ASP A 34 -10.802 4.799 -8.700 1.00 0.00 C ATOM 555 C ASP A 34 -12.104 5.195 -8.032 1.00 0.00 C ATOM 556 O ASP A 34 -13.177 4.814 -8.482 1.00 0.00 O ATOM 557 CB ASP A 34 -11.082 4.160 -10.068 1.00 0.00 C ATOM 558 CG ASP A 34 -9.813 3.812 -10.820 1.00 0.00 C ATOM 559 OD1 ASP A 34 -9.274 4.688 -11.524 1.00 0.00 O ATOM 560 OD2 ASP A 34 -9.349 2.657 -10.713 1.00 0.00 O ATOM 0 H ASP A 34 -10.196 2.904 -8.026 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.195 5.689 -8.865 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.676 3.257 -9.928 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.680 4.845 -10.669 1.00 0.00 H new ATOM 565 N ALA A 35 -11.990 5.967 -6.955 1.00 0.00 N ATOM 566 CA ALA A 35 -13.135 6.346 -6.131 1.00 0.00 C ATOM 567 C ALA A 35 -14.282 6.909 -6.966 1.00 0.00 C ATOM 568 O ALA A 35 -15.441 6.582 -6.726 1.00 0.00 O ATOM 569 CB ALA A 35 -12.708 7.350 -5.073 1.00 0.00 C ATOM 0 H ALA A 35 -11.102 6.348 -6.629 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.503 5.443 -5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.569 7.626 -4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.942 6.905 -4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.306 8.240 -5.557 1.00 0.00 H new ATOM 575 N SER A 36 -13.959 7.734 -7.952 1.00 0.00 N ATOM 576 CA SER A 36 -14.972 8.317 -8.821 1.00 0.00 C ATOM 577 C SER A 36 -15.764 7.232 -9.560 1.00 0.00 C ATOM 578 O SER A 36 -16.984 7.326 -9.698 1.00 0.00 O ATOM 579 CB SER A 36 -14.314 9.268 -9.817 1.00 0.00 C ATOM 580 OG SER A 36 -13.597 10.288 -9.139 1.00 0.00 O ATOM 0 H SER A 36 -13.003 8.015 -8.170 1.00 0.00 H new ATOM 0 HA SER A 36 -15.674 8.875 -8.202 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.638 8.712 -10.466 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.075 9.715 -10.457 1.00 0.00 H new ATOM 0 HG SER A 36 -13.181 10.886 -9.794 1.00 0.00 H new ATOM 586 N ALA A 37 -15.070 6.196 -10.012 1.00 0.00 N ATOM 587 CA ALA A 37 -15.709 5.096 -10.725 1.00 0.00 C ATOM 588 C ALA A 37 -16.256 4.051 -9.752 1.00 0.00 C ATOM 589 O ALA A 37 -17.113 3.242 -10.107 1.00 0.00 O ATOM 590 CB ALA A 37 -14.719 4.456 -11.683 1.00 0.00 C ATOM 0 H ALA A 37 -14.062 6.094 -9.898 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.549 5.498 -11.292 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.203 3.635 -12.212 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.376 5.200 -12.403 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.866 4.073 -11.123 1.00 0.00 H new ATOM 596 N LEU A 38 -15.750 4.084 -8.527 1.00 0.00 N ATOM 597 CA LEU A 38 -16.149 3.143 -7.483 1.00 0.00 C ATOM 598 C LEU A 38 -17.359 3.661 -6.706 1.00 0.00 C ATOM 599 O LEU A 38 -17.848 3.000 -5.790 1.00 0.00 O ATOM 600 CB LEU A 38 -14.971 2.898 -6.532 1.00 0.00 C ATOM 601 CG LEU A 38 -13.840 2.035 -7.102 1.00 0.00 C ATOM 602 CD1 LEU A 38 -12.551 2.236 -6.314 1.00 0.00 C ATOM 603 CD2 LEU A 38 -14.239 0.569 -7.091 1.00 0.00 C ATOM 0 H LEU A 38 -15.051 4.763 -8.226 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.434 2.203 -7.956 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.557 3.862 -6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.349 2.422 -5.627 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.662 2.345 -8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.764 1.613 -6.738 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.252 3.283 -6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.714 1.956 -5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.426 -0.032 -7.499 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.444 0.255 -6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -15.133 0.431 -7.699 1.00 0.00 H new ATOM 615 N GLY A 39 -17.827 4.850 -7.071 1.00 0.00 N ATOM 616 CA GLY A 39 -18.967 5.451 -6.394 1.00 0.00 C ATOM 617 C GLY A 39 -18.577 6.090 -5.076 1.00 0.00 C ATOM 618 O GLY A 39 -19.411 6.648 -4.364 1.00 0.00 O ATOM 0 H GLY A 39 -17.436 5.412 -7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.417 6.203 -7.042 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.725 4.689 -6.216 1.00 0.00 H new ATOM 622 N LEU A 40 -17.296 6.016 -4.760 1.00 0.00 N ATOM 623 CA LEU A 40 -16.773 6.537 -3.515 1.00 0.00 C ATOM 624 C LEU A 40 -16.510 8.030 -3.637 1.00 0.00 C ATOM 625 O LEU A 40 -15.423 8.448 -4.025 1.00 0.00 O ATOM 626 CB LEU A 40 -15.475 5.808 -3.152 1.00 0.00 C ATOM 627 CG LEU A 40 -15.485 4.296 -3.391 1.00 0.00 C ATOM 628 CD1 LEU A 40 -14.221 3.662 -2.837 1.00 0.00 C ATOM 629 CD2 LEU A 40 -16.720 3.659 -2.785 1.00 0.00 C ATOM 0 H LEU A 40 -16.590 5.592 -5.362 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.510 6.374 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.659 6.245 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -15.257 5.991 -2.100 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.513 4.121 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.245 2.587 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.351 4.093 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.159 3.851 -1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.703 2.585 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.734 3.843 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.612 4.090 -3.239 1.00 0.00 H new ATOM 641 N HIS A 41 -17.505 8.838 -3.309 1.00 0.00 N ATOM 642 CA HIS A 41 -17.350 10.290 -3.377 1.00 0.00 C ATOM 643 C HIS A 41 -16.724 10.806 -2.091 1.00 0.00 C ATOM 644 O HIS A 41 -16.545 12.009 -1.912 1.00 0.00 O ATOM 645 CB HIS A 41 -18.700 10.991 -3.593 1.00 0.00 C ATOM 646 CG HIS A 41 -19.531 10.420 -4.711 1.00 0.00 C ATOM 647 ND1 HIS A 41 -19.398 10.824 -6.022 1.00 0.00 N ATOM 648 CD2 HIS A 41 -20.511 9.475 -4.713 1.00 0.00 C ATOM 649 CE1 HIS A 41 -20.254 10.159 -6.775 1.00 0.00 C ATOM 650 NE2 HIS A 41 -20.937 9.337 -6.006 1.00 0.00 N ATOM 0 H HIS A 41 -18.422 8.521 -2.995 1.00 0.00 H new ATOM 0 HA HIS A 41 -16.703 10.513 -4.226 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -19.274 10.938 -2.668 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -18.518 12.046 -3.796 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -20.883 8.935 -3.855 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -20.374 10.270 -7.843 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -21.667 8.699 -6.323 1.00 0.00 H new ATOM 659 N ASP A 42 -16.398 9.884 -1.194 1.00 0.00 N ATOM 660 CA ASP A 42 -15.918 10.246 0.133 1.00 0.00 C ATOM 661 C ASP A 42 -14.525 9.685 0.420 1.00 0.00 C ATOM 662 O ASP A 42 -14.095 9.652 1.572 1.00 0.00 O ATOM 663 CB ASP A 42 -16.891 9.731 1.193 1.00 0.00 C ATOM 664 CG ASP A 42 -18.299 10.256 1.012 1.00 0.00 C ATOM 665 OD1 ASP A 42 -19.129 9.538 0.418 1.00 0.00 O ATOM 666 OD2 ASP A 42 -18.578 11.389 1.459 1.00 0.00 O ATOM 0 H ASP A 42 -16.457 8.880 -1.362 1.00 0.00 H new ATOM 0 HA ASP A 42 -15.855 11.334 0.167 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -16.909 8.642 1.162 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.528 10.016 2.180 1.00 0.00 H new ATOM 671 N TYR A 43 -13.803 9.260 -0.612 1.00 0.00 N ATOM 672 CA TYR A 43 -12.517 8.607 -0.404 1.00 0.00 C ATOM 673 C TYR A 43 -11.482 9.587 0.140 1.00 0.00 C ATOM 674 O TYR A 43 -10.727 9.257 1.053 1.00 0.00 O ATOM 675 CB TYR A 43 -12.022 7.971 -1.714 1.00 0.00 C ATOM 676 CG TYR A 43 -10.658 7.310 -1.627 1.00 0.00 C ATOM 677 CD1 TYR A 43 -10.533 5.982 -1.244 1.00 0.00 C ATOM 678 CD2 TYR A 43 -9.498 8.010 -1.942 1.00 0.00 C ATOM 679 CE1 TYR A 43 -9.297 5.369 -1.171 1.00 0.00 C ATOM 680 CE2 TYR A 43 -8.258 7.405 -1.873 1.00 0.00 C ATOM 681 CZ TYR A 43 -8.161 6.084 -1.486 1.00 0.00 C ATOM 682 OH TYR A 43 -6.926 5.479 -1.411 1.00 0.00 O ATOM 0 H TYR A 43 -14.082 9.354 -1.588 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.654 7.820 0.338 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -12.750 7.227 -2.038 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -11.988 8.741 -2.485 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.420 5.416 -0.998 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.568 9.044 -2.246 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.221 4.335 -0.869 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.368 7.964 -2.121 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.231 6.121 -1.667 1.00 0.00 H new ATOM 692 N HIS A 44 -11.471 10.800 -0.396 1.00 0.00 N ATOM 693 CA HIS A 44 -10.472 11.789 -0.002 1.00 0.00 C ATOM 694 C HIS A 44 -10.842 12.455 1.319 1.00 0.00 C ATOM 695 O HIS A 44 -10.075 13.248 1.861 1.00 0.00 O ATOM 696 CB HIS A 44 -10.276 12.842 -1.099 1.00 0.00 C ATOM 697 CG HIS A 44 -9.467 12.352 -2.266 1.00 0.00 C ATOM 698 ND1 HIS A 44 -8.160 12.731 -2.488 1.00 0.00 N ATOM 699 CD2 HIS A 44 -9.785 11.504 -3.275 1.00 0.00 C ATOM 700 CE1 HIS A 44 -7.712 12.139 -3.579 1.00 0.00 C ATOM 701 NE2 HIS A 44 -8.676 11.389 -4.075 1.00 0.00 N ATOM 0 H HIS A 44 -12.136 11.123 -1.099 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.528 11.262 0.139 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -11.253 13.168 -1.456 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.786 13.715 -0.669 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.735 11.011 -3.422 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.722 12.250 -3.996 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -8.609 10.816 -4.916 1.00 0.00 H new ATOM 710 N ASP A 45 -12.015 12.123 1.838 1.00 0.00 N ATOM 711 CA ASP A 45 -12.446 12.637 3.132 1.00 0.00 C ATOM 712 C ASP A 45 -11.966 11.723 4.249 1.00 0.00 C ATOM 713 O ASP A 45 -11.531 12.185 5.304 1.00 0.00 O ATOM 714 CB ASP A 45 -13.970 12.763 3.196 1.00 0.00 C ATOM 715 CG ASP A 45 -14.509 13.854 2.295 1.00 0.00 C ATOM 716 OD1 ASP A 45 -14.811 13.569 1.118 1.00 0.00 O ATOM 717 OD2 ASP A 45 -14.643 15.004 2.765 1.00 0.00 O ATOM 0 H ASP A 45 -12.685 11.501 1.385 1.00 0.00 H new ATOM 0 HA ASP A 45 -12.009 13.627 3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.420 11.811 2.915 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -14.270 12.966 4.224 1.00 0.00 H new ATOM 722 N ILE A 46 -12.047 10.423 4.011 1.00 0.00 N ATOM 723 CA ILE A 46 -11.623 9.439 4.998 1.00 0.00 C ATOM 724 C ILE A 46 -10.112 9.267 4.962 1.00 0.00 C ATOM 725 O ILE A 46 -9.446 9.350 5.994 1.00 0.00 O ATOM 726 CB ILE A 46 -12.318 8.064 4.791 1.00 0.00 C ATOM 727 CG1 ILE A 46 -13.758 8.090 5.298 1.00 0.00 C ATOM 728 CG2 ILE A 46 -11.565 6.940 5.494 1.00 0.00 C ATOM 729 CD1 ILE A 46 -14.678 9.022 4.540 1.00 0.00 C ATOM 0 H ILE A 46 -12.403 10.023 3.142 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.922 9.817 5.976 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.316 7.874 3.718 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.165 7.080 5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.754 8.380 6.349 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.082 5.995 5.326 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.552 6.876 5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.522 7.145 6.564 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.679 8.975 4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.301 10.042 4.610 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.718 8.722 3.493 1.00 0.00 H new ATOM 741 N ILE A 47 -9.573 9.047 3.773 1.00 0.00 N ATOM 742 CA ILE A 47 -8.148 8.807 3.623 1.00 0.00 C ATOM 743 C ILE A 47 -7.374 10.119 3.697 1.00 0.00 C ATOM 744 O ILE A 47 -7.519 10.984 2.833 1.00 0.00 O ATOM 745 CB ILE A 47 -7.829 8.111 2.288 1.00 0.00 C ATOM 746 CG1 ILE A 47 -8.705 6.869 2.097 1.00 0.00 C ATOM 747 CG2 ILE A 47 -6.355 7.738 2.238 1.00 0.00 C ATOM 748 CD1 ILE A 47 -8.356 5.725 3.012 1.00 0.00 C ATOM 0 H ILE A 47 -10.100 9.030 2.900 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.844 8.153 4.440 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.046 8.803 1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.747 7.144 2.258 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.620 6.533 1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.136 7.246 1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.748 8.639 2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.123 7.061 3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.021 4.885 2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.324 5.420 2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.469 6.041 4.049 1.00 0.00 H new ATOM 760 N LYS A 48 -6.569 10.270 4.739 1.00 0.00 N ATOM 761 CA LYS A 48 -5.775 11.478 4.920 1.00 0.00 C ATOM 762 C LYS A 48 -4.369 11.317 4.349 1.00 0.00 C ATOM 763 O LYS A 48 -3.702 12.297 4.019 1.00 0.00 O ATOM 764 CB LYS A 48 -5.706 11.833 6.398 1.00 0.00 C ATOM 765 CG LYS A 48 -7.050 12.255 6.964 1.00 0.00 C ATOM 766 CD LYS A 48 -7.539 13.556 6.347 1.00 0.00 C ATOM 767 CE LYS A 48 -9.037 13.708 6.498 1.00 0.00 C ATOM 768 NZ LYS A 48 -9.481 13.566 7.909 1.00 0.00 N ATOM 0 H LYS A 48 -6.448 9.571 5.472 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.261 12.287 4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.335 10.974 6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.987 12.640 6.540 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.783 11.469 6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.968 12.373 8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.036 14.398 6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.273 13.582 5.290 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.340 14.685 6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.539 12.960 5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.475 13.859 7.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.387 12.573 8.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.891 14.166 8.521 1.00 0.00 H new ATOM 782 N HIS A 49 -3.919 10.077 4.256 1.00 0.00 N ATOM 783 CA HIS A 49 -2.627 9.758 3.654 1.00 0.00 C ATOM 784 C HIS A 49 -2.798 8.790 2.479 1.00 0.00 C ATOM 785 O HIS A 49 -2.406 7.624 2.577 1.00 0.00 O ATOM 786 CB HIS A 49 -1.687 9.135 4.693 1.00 0.00 C ATOM 787 CG HIS A 49 -1.247 10.081 5.768 1.00 0.00 C ATOM 788 ND1 HIS A 49 -0.041 10.745 5.737 1.00 0.00 N ATOM 789 CD2 HIS A 49 -1.852 10.462 6.918 1.00 0.00 C ATOM 790 CE1 HIS A 49 0.079 11.490 6.817 1.00 0.00 C ATOM 791 NE2 HIS A 49 -1.006 11.337 7.549 1.00 0.00 N ATOM 0 H HIS A 49 -4.433 9.263 4.593 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.192 10.688 3.288 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.188 8.284 5.156 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.805 8.747 4.183 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.819 10.137 7.272 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.923 12.119 7.061 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.187 11.796 8.442 1.00 0.00 H new ATOM 800 N PRO A 50 -3.412 9.237 1.362 1.00 0.00 N ATOM 801 CA PRO A 50 -3.552 8.404 0.165 1.00 0.00 C ATOM 802 C PRO A 50 -2.209 8.154 -0.512 1.00 0.00 C ATOM 803 O PRO A 50 -1.592 9.067 -1.068 1.00 0.00 O ATOM 804 CB PRO A 50 -4.480 9.211 -0.746 1.00 0.00 C ATOM 805 CG PRO A 50 -4.333 10.620 -0.295 1.00 0.00 C ATOM 806 CD PRO A 50 -4.032 10.563 1.182 1.00 0.00 C ATOM 0 HA PRO A 50 -3.945 7.415 0.401 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.199 9.101 -1.793 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.513 8.874 -0.656 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.530 11.120 -0.836 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.245 11.186 -0.484 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.358 11.364 1.484 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.938 10.666 1.779 1.00 0.00 H new ATOM 814 N MET A 51 -1.754 6.918 -0.440 1.00 0.00 N ATOM 815 CA MET A 51 -0.465 6.543 -0.977 1.00 0.00 C ATOM 816 C MET A 51 -0.580 5.238 -1.749 1.00 0.00 C ATOM 817 O MET A 51 -1.421 4.397 -1.440 1.00 0.00 O ATOM 818 CB MET A 51 0.570 6.429 0.154 1.00 0.00 C ATOM 819 CG MET A 51 1.924 5.884 -0.293 1.00 0.00 C ATOM 820 SD MET A 51 2.585 6.764 -1.727 1.00 0.00 S ATOM 821 CE MET A 51 2.567 8.445 -1.128 1.00 0.00 C ATOM 0 H MET A 51 -2.267 6.149 -0.009 1.00 0.00 H new ATOM 0 HA MET A 51 -0.127 7.317 -1.666 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.716 7.413 0.599 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.170 5.782 0.935 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.632 5.957 0.532 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.824 4.826 -0.534 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.264 9.047 -1.712 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.562 8.856 -1.227 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.864 8.461 -0.079 1.00 0.00 H new ATOM 831 N ASP A 52 0.274 5.081 -2.747 1.00 0.00 N ATOM 832 CA ASP A 52 0.254 3.913 -3.612 1.00 0.00 C ATOM 833 C ASP A 52 1.684 3.444 -3.824 1.00 0.00 C ATOM 834 O ASP A 52 2.594 4.269 -3.821 1.00 0.00 O ATOM 835 CB ASP A 52 -0.382 4.264 -4.966 1.00 0.00 C ATOM 836 CG ASP A 52 -1.513 5.264 -4.837 1.00 0.00 C ATOM 837 OD1 ASP A 52 -2.628 4.866 -4.444 1.00 0.00 O ATOM 838 OD2 ASP A 52 -1.281 6.463 -5.127 1.00 0.00 O ATOM 0 H ASP A 52 1.000 5.759 -2.980 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.336 3.123 -3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.383 4.670 -5.628 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.758 3.354 -5.433 1.00 0.00 H new ATOM 843 N LEU A 53 1.900 2.148 -4.001 1.00 0.00 N ATOM 844 CA LEU A 53 3.255 1.628 -4.192 1.00 0.00 C ATOM 845 C LEU A 53 3.957 2.297 -5.373 1.00 0.00 C ATOM 846 O LEU A 53 5.153 2.591 -5.308 1.00 0.00 O ATOM 847 CB LEU A 53 3.233 0.114 -4.365 1.00 0.00 C ATOM 848 CG LEU A 53 3.064 -0.664 -3.065 1.00 0.00 C ATOM 849 CD1 LEU A 53 2.752 -2.109 -3.364 1.00 0.00 C ATOM 850 CD2 LEU A 53 4.309 -0.563 -2.209 1.00 0.00 C ATOM 0 H LEU A 53 1.166 1.440 -4.017 1.00 0.00 H new ATOM 0 HA LEU A 53 3.826 1.866 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.420 -0.151 -5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.161 -0.199 -4.844 1.00 0.00 H new ATOM 0 HG LEU A 53 2.234 -0.228 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.633 -2.657 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.829 -2.170 -3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.568 -2.546 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.163 -1.126 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.159 -0.973 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.501 0.483 -1.969 1.00 0.00 H new ATOM 862 N SER A 54 3.208 2.564 -6.436 1.00 0.00 N ATOM 863 CA SER A 54 3.760 3.246 -7.601 1.00 0.00 C ATOM 864 C SER A 54 4.193 4.673 -7.243 1.00 0.00 C ATOM 865 O SER A 54 5.156 5.197 -7.804 1.00 0.00 O ATOM 866 CB SER A 54 2.737 3.266 -8.738 1.00 0.00 C ATOM 867 OG SER A 54 2.321 1.951 -9.067 1.00 0.00 O ATOM 0 H SER A 54 2.221 2.320 -6.516 1.00 0.00 H new ATOM 0 HA SER A 54 4.641 2.698 -7.934 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.873 3.862 -8.445 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.172 3.745 -9.616 1.00 0.00 H new ATOM 0 HG SER A 54 1.679 1.634 -8.398 1.00 0.00 H new ATOM 873 N THR A 55 3.495 5.282 -6.288 1.00 0.00 N ATOM 874 CA THR A 55 3.815 6.628 -5.839 1.00 0.00 C ATOM 875 C THR A 55 4.972 6.598 -4.847 1.00 0.00 C ATOM 876 O THR A 55 5.811 7.498 -4.829 1.00 0.00 O ATOM 877 CB THR A 55 2.598 7.304 -5.187 1.00 0.00 C ATOM 878 OG1 THR A 55 1.407 6.935 -5.903 1.00 0.00 O ATOM 879 CG2 THR A 55 2.759 8.811 -5.221 1.00 0.00 C ATOM 0 H THR A 55 2.700 4.859 -5.810 1.00 0.00 H new ATOM 0 HA THR A 55 4.104 7.207 -6.716 1.00 0.00 H new ATOM 0 HB THR A 55 2.522 6.977 -4.150 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.654 6.879 -5.278 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.892 9.280 -4.757 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.660 9.093 -4.676 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.842 9.145 -6.255 1.00 0.00 H new ATOM 887 N VAL A 56 5.018 5.550 -4.029 1.00 0.00 N ATOM 888 CA VAL A 56 6.127 5.350 -3.104 1.00 0.00 C ATOM 889 C VAL A 56 7.417 5.231 -3.890 1.00 0.00 C ATOM 890 O VAL A 56 8.420 5.874 -3.580 1.00 0.00 O ATOM 891 CB VAL A 56 5.953 4.076 -2.245 1.00 0.00 C ATOM 892 CG1 VAL A 56 7.167 3.855 -1.355 1.00 0.00 C ATOM 893 CG2 VAL A 56 4.698 4.161 -1.401 1.00 0.00 C ATOM 0 H VAL A 56 4.300 4.827 -3.989 1.00 0.00 H new ATOM 0 HA VAL A 56 6.152 6.209 -2.433 1.00 0.00 H new ATOM 0 HB VAL A 56 5.858 3.227 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.022 2.953 -0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.057 3.742 -1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.293 4.711 -0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.598 3.253 -0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.763 5.024 -0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.829 4.267 -2.051 1.00 0.00 H new ATOM 903 N LYS A 57 7.364 4.416 -4.932 1.00 0.00 N ATOM 904 CA LYS A 57 8.509 4.202 -5.792 1.00 0.00 C ATOM 905 C LYS A 57 8.863 5.490 -6.505 1.00 0.00 C ATOM 906 O LYS A 57 10.030 5.840 -6.627 1.00 0.00 O ATOM 907 CB LYS A 57 8.207 3.115 -6.816 1.00 0.00 C ATOM 908 CG LYS A 57 9.339 2.122 -6.971 1.00 0.00 C ATOM 909 CD LYS A 57 9.066 1.113 -8.066 1.00 0.00 C ATOM 910 CE LYS A 57 10.126 0.029 -8.066 1.00 0.00 C ATOM 911 NZ LYS A 57 11.469 0.571 -8.413 1.00 0.00 N ATOM 0 H LYS A 57 6.532 3.890 -5.201 1.00 0.00 H new ATOM 0 HA LYS A 57 9.352 3.884 -5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.303 2.584 -6.519 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.002 3.579 -7.781 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.262 2.657 -7.194 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.494 1.599 -6.027 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.082 0.667 -7.921 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.050 1.614 -9.034 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.166 -0.441 -7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.852 -0.748 -8.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.937 -0.067 -9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.363 1.512 -8.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.046 0.647 -7.551 1.00 0.00 H new ATOM 925 N ARG A 58 7.833 6.185 -6.958 1.00 0.00 N ATOM 926 CA ARG A 58 7.986 7.464 -7.635 1.00 0.00 C ATOM 927 C ARG A 58 8.771 8.454 -6.778 1.00 0.00 C ATOM 928 O ARG A 58 9.753 9.050 -7.230 1.00 0.00 O ATOM 929 CB ARG A 58 6.605 8.033 -7.945 1.00 0.00 C ATOM 930 CG ARG A 58 6.636 9.333 -8.725 1.00 0.00 C ATOM 931 CD ARG A 58 5.238 9.865 -8.960 1.00 0.00 C ATOM 932 NE ARG A 58 5.238 11.062 -9.797 1.00 0.00 N ATOM 933 CZ ARG A 58 4.233 11.408 -10.599 1.00 0.00 C ATOM 934 NH1 ARG A 58 3.174 10.616 -10.726 1.00 0.00 N ATOM 935 NH2 ARG A 58 4.296 12.539 -11.290 1.00 0.00 N ATOM 0 H ARG A 58 6.864 5.878 -6.867 1.00 0.00 H new ATOM 0 HA ARG A 58 8.543 7.304 -8.558 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.038 7.295 -8.511 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.071 8.195 -7.009 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.223 10.073 -8.180 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.133 9.174 -9.682 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.632 9.093 -9.433 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.772 10.094 -8.002 1.00 0.00 H new ATOM 0 HE ARG A 58 6.057 11.669 -9.765 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.128 9.739 -10.208 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.407 10.885 -11.342 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.114 13.143 -11.207 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.527 12.805 -11.905 1.00 0.00 H new ATOM 949 N LYS A 59 8.337 8.611 -5.537 1.00 0.00 N ATOM 950 CA LYS A 59 8.973 9.533 -4.608 1.00 0.00 C ATOM 951 C LYS A 59 10.340 9.001 -4.173 1.00 0.00 C ATOM 952 O LYS A 59 11.263 9.773 -3.911 1.00 0.00 O ATOM 953 CB LYS A 59 8.054 9.772 -3.408 1.00 0.00 C ATOM 954 CG LYS A 59 6.745 10.453 -3.788 1.00 0.00 C ATOM 955 CD LYS A 59 5.675 10.324 -2.705 1.00 0.00 C ATOM 956 CE LYS A 59 6.131 10.871 -1.359 1.00 0.00 C ATOM 957 NZ LYS A 59 6.576 9.792 -0.440 1.00 0.00 N ATOM 0 H LYS A 59 7.540 8.107 -5.147 1.00 0.00 H new ATOM 0 HA LYS A 59 9.140 10.488 -5.106 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.835 8.818 -2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.576 10.385 -2.673 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.933 11.509 -3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.371 10.020 -4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.777 10.854 -3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.403 9.275 -2.593 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.948 11.576 -1.512 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.314 11.426 -0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.246 10.181 0.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.752 9.398 0.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.042 9.040 -0.987 1.00 0.00 H new ATOM 971 N MET A 60 10.466 7.678 -4.104 1.00 0.00 N ATOM 972 CA MET A 60 11.764 7.042 -3.876 1.00 0.00 C ATOM 973 C MET A 60 12.721 7.376 -5.017 1.00 0.00 C ATOM 974 O MET A 60 13.908 7.612 -4.797 1.00 0.00 O ATOM 975 CB MET A 60 11.626 5.519 -3.769 1.00 0.00 C ATOM 976 CG MET A 60 12.951 4.804 -3.561 1.00 0.00 C ATOM 977 SD MET A 60 12.879 3.074 -4.054 1.00 0.00 S ATOM 978 CE MET A 60 11.523 2.516 -3.036 1.00 0.00 C ATOM 0 H MET A 60 9.688 7.026 -4.202 1.00 0.00 H new ATOM 0 HA MET A 60 12.159 7.426 -2.935 1.00 0.00 H new ATOM 0 HB2 MET A 60 10.959 5.280 -2.941 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.156 5.140 -4.676 1.00 0.00 H new ATOM 0 HG2 MET A 60 13.728 5.310 -4.133 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.235 4.869 -2.511 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.652 1.458 -2.806 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.504 3.089 -2.109 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.584 2.659 -3.570 1.00 0.00 H new ATOM 988 N GLU A 61 12.192 7.400 -6.239 1.00 0.00 N ATOM 989 CA GLU A 61 12.993 7.696 -7.422 1.00 0.00 C ATOM 990 C GLU A 61 13.519 9.122 -7.378 1.00 0.00 C ATOM 991 O GLU A 61 14.628 9.397 -7.827 1.00 0.00 O ATOM 992 CB GLU A 61 12.172 7.487 -8.692 1.00 0.00 C ATOM 993 CG GLU A 61 11.859 6.033 -8.986 1.00 0.00 C ATOM 994 CD GLU A 61 11.151 5.849 -10.309 1.00 0.00 C ATOM 995 OE1 GLU A 61 9.945 6.165 -10.393 1.00 0.00 O ATOM 996 OE2 GLU A 61 11.797 5.379 -11.269 1.00 0.00 O ATOM 0 H GLU A 61 11.208 7.217 -6.435 1.00 0.00 H new ATOM 0 HA GLU A 61 13.841 7.011 -7.431 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.237 8.040 -8.604 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.714 7.910 -9.538 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.786 5.459 -8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.238 5.629 -8.186 1.00 0.00 H new ATOM 1003 N ASN A 62 12.723 10.017 -6.807 1.00 0.00 N ATOM 1004 CA ASN A 62 13.129 11.413 -6.637 1.00 0.00 C ATOM 1005 C ASN A 62 14.015 11.543 -5.403 1.00 0.00 C ATOM 1006 O ASN A 62 14.424 12.639 -5.015 1.00 0.00 O ATOM 1007 CB ASN A 62 11.906 12.325 -6.501 1.00 0.00 C ATOM 1008 CG ASN A 62 11.174 12.570 -7.814 1.00 0.00 C ATOM 1009 OD1 ASN A 62 10.564 13.623 -8.006 1.00 0.00 O ATOM 1010 ND2 ASN A 62 11.225 11.609 -8.725 1.00 0.00 N ATOM 0 H ASN A 62 11.791 9.804 -6.452 1.00 0.00 H new ATOM 0 HA ASN A 62 13.688 11.721 -7.520 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.212 11.883 -5.786 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.222 13.283 -6.088 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.750 11.728 -9.619 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.740 10.750 -8.532 1.00 0.00 H new ATOM 1017 N ARG A 63 14.291 10.387 -4.804 1.00 0.00 N ATOM 1018 CA ARG A 63 15.151 10.247 -3.636 1.00 0.00 C ATOM 1019 C ARG A 63 14.679 11.119 -2.485 1.00 0.00 C ATOM 1020 O ARG A 63 15.480 11.576 -1.669 1.00 0.00 O ATOM 1021 CB ARG A 63 16.600 10.564 -3.998 1.00 0.00 C ATOM 1022 CG ARG A 63 17.018 9.980 -5.333 1.00 0.00 C ATOM 1023 CD ARG A 63 17.018 8.459 -5.344 1.00 0.00 C ATOM 1024 NE ARG A 63 16.745 7.960 -6.693 1.00 0.00 N ATOM 1025 CZ ARG A 63 17.577 7.210 -7.411 1.00 0.00 C ATOM 1026 NH1 ARG A 63 18.750 6.841 -6.916 1.00 0.00 N ATOM 1027 NH2 ARG A 63 17.237 6.839 -8.639 1.00 0.00 N ATOM 0 H ARG A 63 13.911 9.498 -5.129 1.00 0.00 H new ATOM 0 HA ARG A 63 15.094 9.210 -3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.734 11.645 -4.023 1.00 0.00 H new ATOM 0 HB3 ARG A 63 17.256 10.179 -3.218 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.344 10.343 -6.109 1.00 0.00 H new ATOM 0 HG3 ARG A 63 18.016 10.339 -5.584 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.983 8.086 -4.999 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.265 8.084 -4.651 1.00 0.00 H new ATOM 0 HE ARG A 63 15.849 8.206 -7.114 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.022 7.132 -5.977 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.381 6.266 -7.474 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.340 7.129 -9.029 1.00 0.00 H new ATOM 0 HH22 ARG A 63 17.872 6.264 -9.192 1.00 0.00 H new ATOM 1041 N ASP A 64 13.369 11.329 -2.419 1.00 0.00 N ATOM 1042 CA ASP A 64 12.760 12.100 -1.335 1.00 0.00 C ATOM 1043 C ASP A 64 12.899 11.362 -0.014 1.00 0.00 C ATOM 1044 O ASP A 64 12.737 11.937 1.060 1.00 0.00 O ATOM 1045 CB ASP A 64 11.277 12.366 -1.615 1.00 0.00 C ATOM 1046 CG ASP A 64 11.051 13.526 -2.562 1.00 0.00 C ATOM 1047 OD1 ASP A 64 10.723 13.286 -3.742 1.00 0.00 O ATOM 1048 OD2 ASP A 64 11.183 14.689 -2.123 1.00 0.00 O ATOM 0 H ASP A 64 12.703 10.975 -3.106 1.00 0.00 H new ATOM 0 HA ASP A 64 13.283 13.054 -1.273 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.826 11.468 -2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.766 12.568 -0.674 1.00 0.00 H new ATOM 1053 N TYR A 65 13.194 10.079 -0.111 1.00 0.00 N ATOM 1054 CA TYR A 65 13.363 9.233 1.054 1.00 0.00 C ATOM 1055 C TYR A 65 14.824 9.244 1.463 1.00 0.00 C ATOM 1056 O TYR A 65 15.705 9.170 0.609 1.00 0.00 O ATOM 1057 CB TYR A 65 12.934 7.790 0.748 1.00 0.00 C ATOM 1058 CG TYR A 65 11.487 7.623 0.318 1.00 0.00 C ATOM 1059 CD1 TYR A 65 10.818 6.427 0.530 1.00 0.00 C ATOM 1060 CD2 TYR A 65 10.793 8.652 -0.302 1.00 0.00 C ATOM 1061 CE1 TYR A 65 9.503 6.268 0.137 1.00 0.00 C ATOM 1062 CE2 TYR A 65 9.488 8.498 -0.694 1.00 0.00 C ATOM 1063 CZ TYR A 65 8.845 7.308 -0.474 1.00 0.00 C ATOM 1064 OH TYR A 65 7.535 7.167 -0.863 1.00 0.00 O ATOM 0 H TYR A 65 13.323 9.595 -0.999 1.00 0.00 H new ATOM 0 HA TYR A 65 12.739 9.617 1.861 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.578 7.395 -0.038 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.105 7.181 1.636 1.00 0.00 H new ATOM 0 HD1 TYR A 65 11.333 5.607 1.010 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.291 9.594 -0.480 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.995 5.331 0.309 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.968 9.313 -1.175 1.00 0.00 H new ATOM 0 HH TYR A 65 7.039 6.682 -0.171 1.00 0.00 H new ATOM 1074 N ARG A 66 15.083 9.364 2.750 1.00 0.00 N ATOM 1075 CA ARG A 66 16.446 9.333 3.248 1.00 0.00 C ATOM 1076 C ARG A 66 16.800 7.944 3.746 1.00 0.00 C ATOM 1077 O ARG A 66 17.956 7.532 3.682 1.00 0.00 O ATOM 1078 CB ARG A 66 16.628 10.350 4.376 1.00 0.00 C ATOM 1079 CG ARG A 66 16.452 11.804 3.952 1.00 0.00 C ATOM 1080 CD ARG A 66 17.530 12.252 2.975 1.00 0.00 C ATOM 1081 NE ARG A 66 17.326 11.713 1.632 1.00 0.00 N ATOM 1082 CZ ARG A 66 18.309 11.299 0.835 1.00 0.00 C ATOM 1083 NH1 ARG A 66 19.573 11.374 1.234 1.00 0.00 N ATOM 1084 NH2 ARG A 66 18.029 10.822 -0.370 1.00 0.00 N ATOM 0 H ARG A 66 14.370 9.484 3.470 1.00 0.00 H new ATOM 0 HA ARG A 66 17.113 9.594 2.426 1.00 0.00 H new ATOM 0 HB2 ARG A 66 15.913 10.127 5.168 1.00 0.00 H new ATOM 0 HB3 ARG A 66 17.624 10.227 4.802 1.00 0.00 H new ATOM 0 HG2 ARG A 66 15.472 11.931 3.492 1.00 0.00 H new ATOM 0 HG3 ARG A 66 16.475 12.443 4.834 1.00 0.00 H new ATOM 0 HD2 ARG A 66 17.544 13.341 2.928 1.00 0.00 H new ATOM 0 HD3 ARG A 66 18.505 11.937 3.345 1.00 0.00 H new ATOM 0 HE ARG A 66 16.370 11.650 1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 66 19.795 11.750 2.156 1.00 0.00 H new ATOM 0 HH12 ARG A 66 20.322 11.055 0.619 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.061 10.772 -0.686 1.00 0.00 H new ATOM 0 HH22 ARG A 66 18.782 10.505 -0.981 1.00 0.00 H new ATOM 1098 N ASP A 67 15.799 7.213 4.224 1.00 0.00 N ATOM 1099 CA ASP A 67 16.038 5.909 4.813 1.00 0.00 C ATOM 1100 C ASP A 67 14.888 4.978 4.487 1.00 0.00 C ATOM 1101 O ASP A 67 13.804 5.424 4.097 1.00 0.00 O ATOM 1102 CB ASP A 67 16.197 6.026 6.334 1.00 0.00 C ATOM 1103 CG ASP A 67 17.456 6.763 6.745 1.00 0.00 C ATOM 1104 OD1 ASP A 67 17.364 7.958 7.095 1.00 0.00 O ATOM 1105 OD2 ASP A 67 18.541 6.145 6.734 1.00 0.00 O ATOM 0 H ASP A 67 14.821 7.503 4.214 1.00 0.00 H new ATOM 0 HA ASP A 67 16.960 5.503 4.396 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.330 6.543 6.745 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.209 5.027 6.770 1.00 0.00 H new ATOM 1110 N ALA A 68 15.119 3.685 4.658 1.00 0.00 N ATOM 1111 CA ALA A 68 14.102 2.686 4.370 1.00 0.00 C ATOM 1112 C ALA A 68 12.969 2.784 5.372 1.00 0.00 C ATOM 1113 O ALA A 68 11.874 2.284 5.135 1.00 0.00 O ATOM 1114 CB ALA A 68 14.697 1.293 4.389 1.00 0.00 C ATOM 0 H ALA A 68 16.003 3.303 4.995 1.00 0.00 H new ATOM 0 HA ALA A 68 13.708 2.878 3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.919 0.562 4.171 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.482 1.222 3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.119 1.091 5.373 1.00 0.00 H new ATOM 1120 N GLN A 69 13.242 3.440 6.491 1.00 0.00 N ATOM 1121 CA GLN A 69 12.227 3.665 7.504 1.00 0.00 C ATOM 1122 C GLN A 69 11.163 4.608 6.960 1.00 0.00 C ATOM 1123 O GLN A 69 9.972 4.427 7.202 1.00 0.00 O ATOM 1124 CB GLN A 69 12.840 4.258 8.772 1.00 0.00 C ATOM 1125 CG GLN A 69 11.835 4.413 9.896 1.00 0.00 C ATOM 1126 CD GLN A 69 11.536 3.111 10.613 1.00 0.00 C ATOM 1127 OE1 GLN A 69 12.394 2.237 10.730 1.00 0.00 O ATOM 1128 NE2 GLN A 69 10.313 2.973 11.100 1.00 0.00 N ATOM 0 H GLN A 69 14.159 3.825 6.718 1.00 0.00 H new ATOM 0 HA GLN A 69 11.775 2.706 7.758 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.657 3.619 9.107 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.271 5.232 8.540 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.214 5.138 10.616 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.908 4.819 9.492 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.630 3.721 10.982 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.054 2.119 11.593 1.00 0.00 H new ATOM 1137 N GLU A 70 11.608 5.609 6.204 1.00 0.00 N ATOM 1138 CA GLU A 70 10.704 6.552 5.572 1.00 0.00 C ATOM 1139 C GLU A 70 9.902 5.863 4.486 1.00 0.00 C ATOM 1140 O GLU A 70 8.738 6.188 4.256 1.00 0.00 O ATOM 1141 CB GLU A 70 11.471 7.739 5.002 1.00 0.00 C ATOM 1142 CG GLU A 70 11.950 8.702 6.068 1.00 0.00 C ATOM 1143 CD GLU A 70 12.683 9.879 5.481 1.00 0.00 C ATOM 1144 OE1 GLU A 70 13.882 9.741 5.205 1.00 0.00 O ATOM 1145 OE2 GLU A 70 12.064 10.947 5.294 1.00 0.00 O ATOM 0 H GLU A 70 12.595 5.784 6.017 1.00 0.00 H new ATOM 0 HA GLU A 70 10.015 6.928 6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.329 7.373 4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.832 8.273 4.298 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.096 9.058 6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.606 8.177 6.762 1.00 0.00 H new ATOM 1152 N PHE A 71 10.528 4.897 3.827 1.00 0.00 N ATOM 1153 CA PHE A 71 9.816 4.048 2.888 1.00 0.00 C ATOM 1154 C PHE A 71 8.771 3.236 3.635 1.00 0.00 C ATOM 1155 O PHE A 71 7.598 3.226 3.263 1.00 0.00 O ATOM 1156 CB PHE A 71 10.769 3.108 2.136 1.00 0.00 C ATOM 1157 CG PHE A 71 10.089 1.849 1.659 1.00 0.00 C ATOM 1158 CD1 PHE A 71 9.425 1.823 0.447 1.00 0.00 C ATOM 1159 CD2 PHE A 71 10.101 0.699 2.434 1.00 0.00 C ATOM 1160 CE1 PHE A 71 8.783 0.676 0.016 1.00 0.00 C ATOM 1161 CE2 PHE A 71 9.462 -0.446 2.010 1.00 0.00 C ATOM 1162 CZ PHE A 71 8.801 -0.459 0.799 1.00 0.00 C ATOM 0 H PHE A 71 11.521 4.684 3.926 1.00 0.00 H new ATOM 0 HA PHE A 71 9.334 4.688 2.149 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.192 3.634 1.280 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.600 2.842 2.789 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.407 2.709 -0.171 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.618 0.701 3.382 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.268 0.669 -0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.479 -1.333 2.626 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.299 -1.355 0.465 1.00 0.00 H new ATOM 1172 N ALA A 72 9.214 2.555 4.693 1.00 0.00 N ATOM 1173 CA ALA A 72 8.341 1.734 5.504 1.00 0.00 C ATOM 1174 C ALA A 72 7.179 2.552 6.033 1.00 0.00 C ATOM 1175 O ALA A 72 6.071 2.049 6.158 1.00 0.00 O ATOM 1176 CB ALA A 72 9.119 1.099 6.646 1.00 0.00 C ATOM 0 H ALA A 72 10.186 2.563 5.003 1.00 0.00 H new ATOM 0 HA ALA A 72 7.938 0.936 4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.448 0.485 7.246 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.916 0.476 6.241 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.551 1.881 7.271 1.00 0.00 H new ATOM 1182 N ALA A 73 7.452 3.811 6.330 1.00 0.00 N ATOM 1183 CA ALA A 73 6.430 4.750 6.756 1.00 0.00 C ATOM 1184 C ALA A 73 5.369 4.937 5.668 1.00 0.00 C ATOM 1185 O ALA A 73 4.173 4.830 5.934 1.00 0.00 O ATOM 1186 CB ALA A 73 7.086 6.078 7.107 1.00 0.00 C ATOM 0 H ALA A 73 8.389 4.211 6.282 1.00 0.00 H new ATOM 0 HA ALA A 73 5.926 4.354 7.638 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.323 6.787 7.428 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.803 5.927 7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.602 6.472 6.231 1.00 0.00 H new ATOM 1192 N ASP A 74 5.818 5.190 4.442 1.00 0.00 N ATOM 1193 CA ASP A 74 4.927 5.434 3.317 1.00 0.00 C ATOM 1194 C ASP A 74 4.119 4.188 2.950 1.00 0.00 C ATOM 1195 O ASP A 74 2.896 4.252 2.809 1.00 0.00 O ATOM 1196 CB ASP A 74 5.749 5.893 2.112 1.00 0.00 C ATOM 1197 CG ASP A 74 5.893 7.404 2.020 1.00 0.00 C ATOM 1198 OD1 ASP A 74 6.660 7.986 2.813 1.00 0.00 O ATOM 1199 OD2 ASP A 74 5.261 8.018 1.132 1.00 0.00 O ATOM 0 H ASP A 74 6.809 5.231 4.203 1.00 0.00 H new ATOM 0 HA ASP A 74 4.219 6.211 3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.741 5.443 2.165 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.280 5.524 1.200 1.00 0.00 H new ATOM 1204 N VAL A 75 4.799 3.054 2.809 1.00 0.00 N ATOM 1205 CA VAL A 75 4.140 1.813 2.401 1.00 0.00 C ATOM 1206 C VAL A 75 3.140 1.336 3.456 1.00 0.00 C ATOM 1207 O VAL A 75 2.038 0.894 3.127 1.00 0.00 O ATOM 1208 CB VAL A 75 5.165 0.691 2.091 1.00 0.00 C ATOM 1209 CG1 VAL A 75 6.166 0.526 3.218 1.00 0.00 C ATOM 1210 CG2 VAL A 75 4.473 -0.634 1.817 1.00 0.00 C ATOM 0 H VAL A 75 5.802 2.966 2.970 1.00 0.00 H new ATOM 0 HA VAL A 75 3.594 2.036 1.484 1.00 0.00 H new ATOM 0 HB VAL A 75 5.702 0.994 1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.869 -0.268 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.710 1.460 3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.640 0.268 4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.221 -1.398 1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.892 -0.929 2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.809 -0.527 0.959 1.00 0.00 H new ATOM 1220 N ARG A 76 3.509 1.448 4.725 1.00 0.00 N ATOM 1221 CA ARG A 76 2.635 0.998 5.798 1.00 0.00 C ATOM 1222 C ARG A 76 1.436 1.932 5.933 1.00 0.00 C ATOM 1223 O ARG A 76 0.343 1.504 6.304 1.00 0.00 O ATOM 1224 CB ARG A 76 3.397 0.911 7.118 1.00 0.00 C ATOM 1225 CG ARG A 76 3.637 2.261 7.785 1.00 0.00 C ATOM 1226 CD ARG A 76 4.412 2.120 9.082 1.00 0.00 C ATOM 1227 NE ARG A 76 5.611 1.301 8.920 1.00 0.00 N ATOM 1228 CZ ARG A 76 6.253 0.719 9.932 1.00 0.00 C ATOM 1229 NH1 ARG A 76 5.830 0.893 11.180 1.00 0.00 N ATOM 1230 NH2 ARG A 76 7.318 -0.039 9.695 1.00 0.00 N ATOM 0 H ARG A 76 4.398 1.842 5.034 1.00 0.00 H new ATOM 0 HA ARG A 76 2.273 0.001 5.549 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.842 0.271 7.805 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.358 0.429 6.940 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.185 2.911 7.103 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.680 2.743 7.984 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.695 3.108 9.444 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.769 1.675 9.841 1.00 0.00 H new ATOM 0 HE ARG A 76 5.978 1.167 7.978 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.012 1.473 11.365 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.324 0.446 11.953 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.644 -0.175 8.738 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.809 -0.485 10.470 1.00 0.00 H new ATOM 1244 N LEU A 77 1.648 3.207 5.617 1.00 0.00 N ATOM 1245 CA LEU A 77 0.575 4.192 5.611 1.00 0.00 C ATOM 1246 C LEU A 77 -0.499 3.797 4.613 1.00 0.00 C ATOM 1247 O LEU A 77 -1.695 3.966 4.861 1.00 0.00 O ATOM 1248 CB LEU A 77 1.134 5.569 5.261 1.00 0.00 C ATOM 1249 CG LEU A 77 1.279 6.521 6.439 1.00 0.00 C ATOM 1250 CD1 LEU A 77 1.860 7.838 5.972 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -0.073 6.724 7.098 1.00 0.00 C ATOM 0 H LEU A 77 2.561 3.582 5.360 1.00 0.00 H new ATOM 0 HA LEU A 77 0.130 4.231 6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.111 5.440 4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.484 6.031 4.518 1.00 0.00 H new ATOM 0 HG LEU A 77 1.961 6.093 7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.960 8.513 6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.840 7.666 5.528 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.198 8.285 5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.032 7.406 7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.771 7.146 6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.453 5.766 7.452 1.00 0.00 H new ATOM 1263 N MET A 78 -0.047 3.272 3.486 1.00 0.00 N ATOM 1264 CA MET A 78 -0.935 2.743 2.456 1.00 0.00 C ATOM 1265 C MET A 78 -1.806 1.627 3.033 1.00 0.00 C ATOM 1266 O MET A 78 -3.026 1.653 2.900 1.00 0.00 O ATOM 1267 CB MET A 78 -0.107 2.220 1.276 1.00 0.00 C ATOM 1268 CG MET A 78 -0.912 1.732 0.073 1.00 0.00 C ATOM 1269 SD MET A 78 0.160 1.010 -1.183 1.00 0.00 S ATOM 1270 CE MET A 78 0.976 -0.267 -0.222 1.00 0.00 C ATOM 0 H MET A 78 0.944 3.199 3.257 1.00 0.00 H new ATOM 0 HA MET A 78 -1.587 3.542 2.102 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.563 3.013 0.945 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.519 1.400 1.629 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.644 0.993 0.398 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.469 2.565 -0.356 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.154 -1.139 -0.852 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.928 0.111 0.152 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.343 -0.550 0.619 1.00 0.00 H new ATOM 1280 N PHE A 79 -1.182 0.659 3.699 1.00 0.00 N ATOM 1281 CA PHE A 79 -1.939 -0.441 4.301 1.00 0.00 C ATOM 1282 C PHE A 79 -2.847 0.071 5.427 1.00 0.00 C ATOM 1283 O PHE A 79 -3.980 -0.399 5.593 1.00 0.00 O ATOM 1284 CB PHE A 79 -1.006 -1.539 4.831 1.00 0.00 C ATOM 1285 CG PHE A 79 -0.156 -2.191 3.771 1.00 0.00 C ATOM 1286 CD1 PHE A 79 -0.720 -2.662 2.594 1.00 0.00 C ATOM 1287 CD2 PHE A 79 1.208 -2.338 3.958 1.00 0.00 C ATOM 1288 CE1 PHE A 79 0.063 -3.262 1.624 1.00 0.00 C ATOM 1289 CE2 PHE A 79 1.995 -2.940 2.995 1.00 0.00 C ATOM 1290 CZ PHE A 79 1.426 -3.401 1.825 1.00 0.00 C ATOM 0 H PHE A 79 -0.172 0.611 3.836 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.563 -0.874 3.519 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.353 -1.110 5.591 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.606 -2.305 5.322 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.783 -2.559 2.433 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.663 -1.977 4.869 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.388 -3.622 0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.057 -3.050 3.158 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.041 -3.868 1.070 1.00 0.00 H new ATOM 1300 N SER A 80 -2.352 1.048 6.185 1.00 0.00 N ATOM 1301 CA SER A 80 -3.117 1.650 7.269 1.00 0.00 C ATOM 1302 C SER A 80 -4.404 2.287 6.748 1.00 0.00 C ATOM 1303 O SER A 80 -5.477 2.091 7.324 1.00 0.00 O ATOM 1304 CB SER A 80 -2.272 2.701 7.995 1.00 0.00 C ATOM 1305 OG SER A 80 -1.099 2.126 8.547 1.00 0.00 O ATOM 0 H SER A 80 -1.418 1.440 6.065 1.00 0.00 H new ATOM 0 HA SER A 80 -3.386 0.859 7.969 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.998 3.495 7.300 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.862 3.161 8.788 1.00 0.00 H new ATOM 0 HG SER A 80 -0.561 1.729 7.831 1.00 0.00 H new ATOM 1311 N ASN A 81 -4.299 3.036 5.651 1.00 0.00 N ATOM 1312 CA ASN A 81 -5.456 3.733 5.095 1.00 0.00 C ATOM 1313 C ASN A 81 -6.476 2.737 4.539 1.00 0.00 C ATOM 1314 O ASN A 81 -7.676 3.011 4.528 1.00 0.00 O ATOM 1315 CB ASN A 81 -5.028 4.781 4.040 1.00 0.00 C ATOM 1316 CG ASN A 81 -4.570 4.212 2.704 1.00 0.00 C ATOM 1317 OD1 ASN A 81 -5.169 3.301 2.140 1.00 0.00 O ATOM 1318 ND2 ASN A 81 -3.480 4.754 2.193 1.00 0.00 N ATOM 0 H ASN A 81 -3.431 3.175 5.134 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.944 4.280 5.902 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.866 5.455 3.861 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.219 5.382 4.456 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.112 4.417 1.304 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.006 5.510 2.688 1.00 0.00 H new ATOM 1325 N CYS A 82 -6.000 1.568 4.114 1.00 0.00 N ATOM 1326 CA CYS A 82 -6.888 0.519 3.623 1.00 0.00 C ATOM 1327 C CYS A 82 -7.825 0.047 4.726 1.00 0.00 C ATOM 1328 O CYS A 82 -9.030 -0.089 4.504 1.00 0.00 O ATOM 1329 CB CYS A 82 -6.090 -0.668 3.072 1.00 0.00 C ATOM 1330 SG CYS A 82 -4.943 -0.237 1.742 1.00 0.00 S ATOM 0 H CYS A 82 -5.009 1.325 4.100 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.481 0.942 2.812 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.528 -1.124 3.887 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -6.787 -1.421 2.705 1.00 0.00 H new ATOM 0 HG CYS A 82 -3.932 0.415 2.235 1.00 0.00 H new ATOM 1336 N TYR A 83 -7.280 -0.190 5.921 1.00 0.00 N ATOM 1337 CA TYR A 83 -8.113 -0.603 7.050 1.00 0.00 C ATOM 1338 C TYR A 83 -8.923 0.577 7.563 1.00 0.00 C ATOM 1339 O TYR A 83 -9.986 0.407 8.159 1.00 0.00 O ATOM 1340 CB TYR A 83 -7.279 -1.150 8.212 1.00 0.00 C ATOM 1341 CG TYR A 83 -6.284 -2.228 7.838 1.00 0.00 C ATOM 1342 CD1 TYR A 83 -6.626 -3.240 6.952 1.00 0.00 C ATOM 1343 CD2 TYR A 83 -5.001 -2.243 8.388 1.00 0.00 C ATOM 1344 CE1 TYR A 83 -5.728 -4.234 6.623 1.00 0.00 C ATOM 1345 CE2 TYR A 83 -4.101 -3.232 8.062 1.00 0.00 C ATOM 1346 CZ TYR A 83 -4.467 -4.225 7.182 1.00 0.00 C ATOM 1347 OH TYR A 83 -3.564 -5.214 6.862 1.00 0.00 O ATOM 0 H TYR A 83 -6.285 -0.105 6.129 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.768 -1.394 6.684 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.739 -0.323 8.672 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.955 -1.548 8.968 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.612 -3.249 6.512 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.710 -1.467 9.080 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.010 -5.014 5.932 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.112 -3.229 8.495 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.724 -5.058 7.342 1.00 0.00 H new ATOM 1357 N LYS A 84 -8.410 1.772 7.318 1.00 0.00 N ATOM 1358 CA LYS A 84 -9.053 2.992 7.774 1.00 0.00 C ATOM 1359 C LYS A 84 -10.350 3.214 7.013 1.00 0.00 C ATOM 1360 O LYS A 84 -11.328 3.728 7.554 1.00 0.00 O ATOM 1361 CB LYS A 84 -8.114 4.181 7.572 1.00 0.00 C ATOM 1362 CG LYS A 84 -8.042 5.113 8.770 1.00 0.00 C ATOM 1363 CD LYS A 84 -7.138 6.302 8.496 1.00 0.00 C ATOM 1364 CE LYS A 84 -7.826 7.336 7.621 1.00 0.00 C ATOM 1365 NZ LYS A 84 -8.938 8.013 8.338 1.00 0.00 N ATOM 0 H LYS A 84 -7.543 1.922 6.802 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.281 2.898 8.836 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.113 3.809 7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.442 4.748 6.701 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -9.043 5.465 9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.672 4.565 9.637 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.843 6.761 9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.225 5.961 8.008 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.098 8.079 7.295 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.213 6.853 6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.294 8.801 7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.707 7.333 8.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.592 8.379 9.248 1.00 0.00 H new ATOM 1379 N TYR A 85 -10.347 2.821 5.750 1.00 0.00 N ATOM 1380 CA TYR A 85 -11.524 2.957 4.912 1.00 0.00 C ATOM 1381 C TYR A 85 -12.423 1.732 5.025 1.00 0.00 C ATOM 1382 O TYR A 85 -13.578 1.828 5.438 1.00 0.00 O ATOM 1383 CB TYR A 85 -11.119 3.151 3.453 1.00 0.00 C ATOM 1384 CG TYR A 85 -12.300 3.446 2.547 1.00 0.00 C ATOM 1385 CD1 TYR A 85 -12.878 4.703 2.576 1.00 0.00 C ATOM 1386 CD2 TYR A 85 -12.841 2.494 1.679 1.00 0.00 C ATOM 1387 CE1 TYR A 85 -13.956 5.017 1.773 1.00 0.00 C ATOM 1388 CE2 TYR A 85 -13.923 2.803 0.873 1.00 0.00 C ATOM 1389 CZ TYR A 85 -14.473 4.066 0.926 1.00 0.00 C ATOM 1390 OH TYR A 85 -15.541 4.384 0.125 1.00 0.00 O ATOM 0 H TYR A 85 -9.541 2.405 5.283 1.00 0.00 H new ATOM 0 HA TYR A 85 -12.076 3.831 5.257 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.402 3.970 3.386 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -10.612 2.253 3.100 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.477 5.454 3.241 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.410 1.505 1.636 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.391 6.005 1.810 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.334 2.059 0.207 1.00 0.00 H new ATOM 0 HH TYR A 85 -15.653 5.357 0.100 1.00 0.00 H new ATOM 1400 N ASN A 86 -11.868 0.582 4.676 1.00 0.00 N ATOM 1401 CA ASN A 86 -12.643 -0.643 4.542 1.00 0.00 C ATOM 1402 C ASN A 86 -12.875 -1.294 5.897 1.00 0.00 C ATOM 1403 O ASN A 86 -11.964 -1.375 6.724 1.00 0.00 O ATOM 1404 CB ASN A 86 -11.919 -1.622 3.610 1.00 0.00 C ATOM 1405 CG ASN A 86 -11.674 -1.036 2.234 1.00 0.00 C ATOM 1406 OD1 ASN A 86 -12.492 -1.187 1.328 1.00 0.00 O ATOM 1407 ND2 ASN A 86 -10.538 -0.378 2.065 1.00 0.00 N ATOM 0 H ASN A 86 -10.874 0.471 4.478 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.613 -0.387 4.115 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -10.966 -1.906 4.056 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.510 -2.533 3.514 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.314 0.027 1.156 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -9.887 -0.276 2.844 1.00 0.00 H new ATOM 1414 N PRO A 87 -14.112 -1.752 6.137 1.00 0.00 N ATOM 1415 CA PRO A 87 -14.479 -2.442 7.377 1.00 0.00 C ATOM 1416 C PRO A 87 -13.777 -3.796 7.511 1.00 0.00 C ATOM 1417 O PRO A 87 -13.248 -4.316 6.528 1.00 0.00 O ATOM 1418 CB PRO A 87 -15.997 -2.622 7.256 1.00 0.00 C ATOM 1419 CG PRO A 87 -16.288 -2.544 5.802 1.00 0.00 C ATOM 1420 CD PRO A 87 -15.258 -1.619 5.219 1.00 0.00 C ATOM 0 HA PRO A 87 -14.182 -1.880 8.263 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -16.313 -3.580 7.669 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -16.530 -1.846 7.806 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -16.232 -3.530 5.340 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -17.295 -2.166 5.626 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -14.992 -1.906 4.202 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -15.620 -0.592 5.176 1.00 0.00 H new ATOM 1428 N PRO A 88 -13.774 -4.378 8.733 1.00 0.00 N ATOM 1429 CA PRO A 88 -13.005 -5.586 9.076 1.00 0.00 C ATOM 1430 C PRO A 88 -13.043 -6.692 8.020 1.00 0.00 C ATOM 1431 O PRO A 88 -12.023 -7.334 7.754 1.00 0.00 O ATOM 1432 CB PRO A 88 -13.657 -6.080 10.381 1.00 0.00 C ATOM 1433 CG PRO A 88 -14.826 -5.181 10.622 1.00 0.00 C ATOM 1434 CD PRO A 88 -14.527 -3.905 9.897 1.00 0.00 C ATOM 0 HA PRO A 88 -11.946 -5.342 9.159 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -13.975 -7.118 10.290 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -12.952 -6.035 11.211 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -15.747 -5.632 10.253 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -14.965 -5.000 11.688 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -15.437 -3.379 9.607 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -13.942 -3.217 10.508 1.00 0.00 H new ATOM 1442 N ASP A 89 -14.202 -6.915 7.419 1.00 0.00 N ATOM 1443 CA ASP A 89 -14.335 -7.981 6.431 1.00 0.00 C ATOM 1444 C ASP A 89 -14.569 -7.411 5.040 1.00 0.00 C ATOM 1445 O ASP A 89 -15.707 -7.167 4.633 1.00 0.00 O ATOM 1446 CB ASP A 89 -15.468 -8.950 6.804 1.00 0.00 C ATOM 1447 CG ASP A 89 -15.559 -10.130 5.851 1.00 0.00 C ATOM 1448 OD1 ASP A 89 -16.637 -10.753 5.772 1.00 0.00 O ATOM 1449 OD2 ASP A 89 -14.554 -10.449 5.177 1.00 0.00 O ATOM 0 H ASP A 89 -15.054 -6.382 7.593 1.00 0.00 H new ATOM 0 HA ASP A 89 -13.398 -8.537 6.425 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -15.309 -9.317 7.818 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -16.416 -8.413 6.804 1.00 0.00 H new ATOM 1454 N HIS A 90 -13.483 -7.183 4.318 1.00 0.00 N ATOM 1455 CA HIS A 90 -13.564 -6.745 2.934 1.00 0.00 C ATOM 1456 C HIS A 90 -12.338 -7.243 2.172 1.00 0.00 C ATOM 1457 O HIS A 90 -11.309 -7.517 2.779 1.00 0.00 O ATOM 1458 CB HIS A 90 -13.651 -5.215 2.839 1.00 0.00 C ATOM 1459 CG HIS A 90 -14.406 -4.723 1.630 1.00 0.00 C ATOM 1460 ND1 HIS A 90 -13.782 -4.346 0.458 1.00 0.00 N ATOM 1461 CD2 HIS A 90 -15.738 -4.559 1.402 1.00 0.00 C ATOM 1462 CE1 HIS A 90 -14.691 -3.980 -0.427 1.00 0.00 C ATOM 1463 NE2 HIS A 90 -15.880 -4.102 0.120 1.00 0.00 N ATOM 0 H HIS A 90 -12.532 -7.295 4.669 1.00 0.00 H new ATOM 0 HA HIS A 90 -14.469 -7.162 2.493 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.133 -4.831 3.738 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.642 -4.803 2.818 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -16.536 -4.754 2.104 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -14.491 -3.638 -1.432 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -16.766 -3.890 -0.338 1.00 0.00 H new ATOM 1472 N ASP A 91 -12.432 -7.360 0.861 1.00 0.00 N ATOM 1473 CA ASP A 91 -11.324 -7.897 0.067 1.00 0.00 C ATOM 1474 C ASP A 91 -10.032 -7.102 0.249 1.00 0.00 C ATOM 1475 O ASP A 91 -8.957 -7.683 0.392 1.00 0.00 O ATOM 1476 CB ASP A 91 -11.696 -7.944 -1.413 1.00 0.00 C ATOM 1477 CG ASP A 91 -12.620 -9.100 -1.732 1.00 0.00 C ATOM 1478 OD1 ASP A 91 -13.618 -9.285 -1.003 1.00 0.00 O ATOM 1479 OD2 ASP A 91 -12.352 -9.825 -2.711 1.00 0.00 O ATOM 0 H ASP A 91 -13.254 -7.095 0.319 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.142 -8.908 0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.177 -7.008 -1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.789 -8.030 -2.012 1.00 0.00 H new ATOM 1484 N VAL A 92 -10.138 -5.779 0.278 1.00 0.00 N ATOM 1485 CA VAL A 92 -8.950 -4.926 0.314 1.00 0.00 C ATOM 1486 C VAL A 92 -8.218 -5.025 1.647 1.00 0.00 C ATOM 1487 O VAL A 92 -7.031 -4.732 1.718 1.00 0.00 O ATOM 1488 CB VAL A 92 -9.267 -3.445 0.010 1.00 0.00 C ATOM 1489 CG1 VAL A 92 -8.435 -2.955 -1.159 1.00 0.00 C ATOM 1490 CG2 VAL A 92 -10.739 -3.251 -0.281 1.00 0.00 C ATOM 0 H VAL A 92 -11.024 -5.274 0.277 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.300 -5.302 -0.476 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.014 -2.860 0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.670 -1.910 -1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.376 -3.048 -0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.659 -3.554 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.933 -2.199 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.021 -3.852 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -11.325 -3.562 0.584 1.00 0.00 H new ATOM 1500 N VAL A 93 -8.906 -5.453 2.699 1.00 0.00 N ATOM 1501 CA VAL A 93 -8.243 -5.644 3.982 1.00 0.00 C ATOM 1502 C VAL A 93 -7.593 -7.022 4.024 1.00 0.00 C ATOM 1503 O VAL A 93 -6.521 -7.198 4.599 1.00 0.00 O ATOM 1504 CB VAL A 93 -9.195 -5.460 5.193 1.00 0.00 C ATOM 1505 CG1 VAL A 93 -9.915 -4.126 5.110 1.00 0.00 C ATOM 1506 CG2 VAL A 93 -10.200 -6.590 5.297 1.00 0.00 C ATOM 0 H VAL A 93 -9.903 -5.670 2.691 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.482 -4.869 4.068 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.580 -5.477 6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.578 -4.016 5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.184 -3.317 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -10.501 -4.085 4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -10.847 -6.423 6.158 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.804 -6.625 4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.672 -7.536 5.418 1.00 0.00 H new ATOM 1516 N ALA A 94 -8.240 -7.989 3.380 1.00 0.00 N ATOM 1517 CA ALA A 94 -7.692 -9.334 3.251 1.00 0.00 C ATOM 1518 C ALA A 94 -6.418 -9.310 2.419 1.00 0.00 C ATOM 1519 O ALA A 94 -5.423 -9.955 2.764 1.00 0.00 O ATOM 1520 CB ALA A 94 -8.718 -10.275 2.634 1.00 0.00 C ATOM 0 H ALA A 94 -9.150 -7.864 2.937 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.447 -9.703 4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.290 -11.273 2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.603 -10.314 3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.997 -9.912 1.645 1.00 0.00 H new ATOM 1526 N MET A 95 -6.451 -8.545 1.334 1.00 0.00 N ATOM 1527 CA MET A 95 -5.294 -8.397 0.467 1.00 0.00 C ATOM 1528 C MET A 95 -4.208 -7.580 1.165 1.00 0.00 C ATOM 1529 O MET A 95 -3.018 -7.835 0.984 1.00 0.00 O ATOM 1530 CB MET A 95 -5.700 -7.747 -0.869 1.00 0.00 C ATOM 1531 CG MET A 95 -6.632 -8.613 -1.719 1.00 0.00 C ATOM 1532 SD MET A 95 -6.937 -7.928 -3.365 1.00 0.00 S ATOM 1533 CE MET A 95 -8.396 -6.924 -3.087 1.00 0.00 C ATOM 0 H MET A 95 -7.271 -8.017 1.035 1.00 0.00 H new ATOM 0 HA MET A 95 -4.890 -9.386 0.252 1.00 0.00 H new ATOM 0 HB2 MET A 95 -6.190 -6.795 -0.665 1.00 0.00 H new ATOM 0 HB3 MET A 95 -4.800 -7.526 -1.443 1.00 0.00 H new ATOM 0 HG2 MET A 95 -6.200 -9.608 -1.821 1.00 0.00 H new ATOM 0 HG3 MET A 95 -7.583 -8.730 -1.199 1.00 0.00 H new ATOM 0 HE1 MET A 95 -9.263 -7.410 -3.535 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.559 -6.807 -2.016 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.255 -5.943 -3.542 1.00 0.00 H new ATOM 1543 N ALA A 96 -4.625 -6.621 1.994 1.00 0.00 N ATOM 1544 CA ALA A 96 -3.682 -5.783 2.732 1.00 0.00 C ATOM 1545 C ALA A 96 -2.934 -6.594 3.788 1.00 0.00 C ATOM 1546 O ALA A 96 -1.725 -6.460 3.938 1.00 0.00 O ATOM 1547 CB ALA A 96 -4.398 -4.615 3.388 1.00 0.00 C ATOM 0 H ALA A 96 -5.607 -6.407 2.170 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.957 -5.395 2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.677 -4.005 3.932 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.882 -4.009 2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.150 -4.992 4.081 1.00 0.00 H new ATOM 1553 N ARG A 97 -3.665 -7.434 4.520 1.00 0.00 N ATOM 1554 CA ARG A 97 -3.072 -8.229 5.597 1.00 0.00 C ATOM 1555 C ARG A 97 -2.064 -9.236 5.057 1.00 0.00 C ATOM 1556 O ARG A 97 -1.001 -9.442 5.645 1.00 0.00 O ATOM 1557 CB ARG A 97 -4.151 -8.961 6.395 1.00 0.00 C ATOM 1558 CG ARG A 97 -5.050 -8.023 7.184 1.00 0.00 C ATOM 1559 CD ARG A 97 -6.045 -8.773 8.051 1.00 0.00 C ATOM 1560 NE ARG A 97 -7.148 -7.909 8.474 1.00 0.00 N ATOM 1561 CZ ARG A 97 -8.429 -8.143 8.189 1.00 0.00 C ATOM 1562 NH1 ARG A 97 -8.776 -9.218 7.490 1.00 0.00 N ATOM 1563 NH2 ARG A 97 -9.365 -7.294 8.592 1.00 0.00 N ATOM 0 H ARG A 97 -4.666 -7.582 4.388 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.550 -7.536 6.257 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.762 -9.551 5.712 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.675 -9.661 7.082 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.436 -7.379 7.813 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.589 -7.374 6.494 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.441 -9.625 7.498 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.536 -9.171 8.929 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.923 -7.077 9.020 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.061 -9.870 7.168 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.758 -9.392 7.275 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -9.105 -6.461 9.120 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.345 -7.474 8.373 1.00 0.00 H new ATOM 1577 N LYS A 98 -2.404 -9.867 3.946 1.00 0.00 N ATOM 1578 CA LYS A 98 -1.519 -10.847 3.326 1.00 0.00 C ATOM 1579 C LYS A 98 -0.242 -10.178 2.795 1.00 0.00 C ATOM 1580 O LYS A 98 0.875 -10.658 3.023 1.00 0.00 O ATOM 1581 CB LYS A 98 -2.258 -11.582 2.206 1.00 0.00 C ATOM 1582 CG LYS A 98 -1.451 -12.707 1.584 1.00 0.00 C ATOM 1583 CD LYS A 98 -2.185 -13.344 0.417 1.00 0.00 C ATOM 1584 CE LYS A 98 -1.341 -14.412 -0.254 1.00 0.00 C ATOM 1585 NZ LYS A 98 -0.934 -15.487 0.686 1.00 0.00 N ATOM 0 H LYS A 98 -3.285 -9.721 3.453 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.220 -11.573 4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.189 -11.989 2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.528 -10.867 1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.490 -12.321 1.243 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.240 -13.465 2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.118 -13.784 0.769 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.449 -12.577 -0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.902 -14.849 -1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.451 -13.952 -0.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.524 -16.279 0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.227 -15.116 1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.766 -15.820 1.214 1.00 0.00 H new ATOM 1599 N LEU A 99 -0.411 -9.065 2.091 1.00 0.00 N ATOM 1600 CA LEU A 99 0.724 -8.265 1.633 1.00 0.00 C ATOM 1601 C LEU A 99 1.515 -7.697 2.812 1.00 0.00 C ATOM 1602 O LEU A 99 2.710 -7.425 2.695 1.00 0.00 O ATOM 1603 CB LEU A 99 0.277 -7.115 0.725 1.00 0.00 C ATOM 1604 CG LEU A 99 0.268 -7.375 -0.793 1.00 0.00 C ATOM 1605 CD1 LEU A 99 0.746 -6.137 -1.512 1.00 0.00 C ATOM 1606 CD2 LEU A 99 1.157 -8.539 -1.182 1.00 0.00 C ATOM 0 H LEU A 99 -1.323 -8.694 1.824 1.00 0.00 H new ATOM 0 HA LEU A 99 1.366 -8.935 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.730 -6.822 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.927 -6.262 0.917 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.755 -7.624 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.741 -6.316 -2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.084 -5.303 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.759 -5.897 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.117 -8.682 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.184 -8.329 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.811 -9.444 -0.683 1.00 0.00 H new ATOM 1618 N GLN A 100 0.847 -7.502 3.938 1.00 0.00 N ATOM 1619 CA GLN A 100 1.524 -7.085 5.157 1.00 0.00 C ATOM 1620 C GLN A 100 2.485 -8.179 5.611 1.00 0.00 C ATOM 1621 O GLN A 100 3.571 -7.893 6.099 1.00 0.00 O ATOM 1622 CB GLN A 100 0.507 -6.785 6.266 1.00 0.00 C ATOM 1623 CG GLN A 100 1.124 -6.289 7.567 1.00 0.00 C ATOM 1624 CD GLN A 100 1.954 -5.032 7.392 1.00 0.00 C ATOM 1625 OE1 GLN A 100 1.676 -4.203 6.531 1.00 0.00 O ATOM 1626 NE2 GLN A 100 2.981 -4.882 8.214 1.00 0.00 N ATOM 0 H GLN A 100 -0.161 -7.625 4.034 1.00 0.00 H new ATOM 0 HA GLN A 100 2.085 -6.174 4.951 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.198 -6.036 5.903 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.066 -7.689 6.471 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.330 -6.095 8.288 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.751 -7.075 7.988 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.180 -5.594 8.917 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.573 -4.055 8.144 1.00 0.00 H new ATOM 1635 N ASP A 101 2.078 -9.432 5.421 1.00 0.00 N ATOM 1636 CA ASP A 101 2.896 -10.578 5.814 1.00 0.00 C ATOM 1637 C ASP A 101 4.217 -10.583 5.055 1.00 0.00 C ATOM 1638 O ASP A 101 5.287 -10.713 5.659 1.00 0.00 O ATOM 1639 CB ASP A 101 2.146 -11.892 5.569 1.00 0.00 C ATOM 1640 CG ASP A 101 2.927 -13.108 6.037 1.00 0.00 C ATOM 1641 OD1 ASP A 101 3.596 -13.756 5.205 1.00 0.00 O ATOM 1642 OD2 ASP A 101 2.872 -13.427 7.245 1.00 0.00 O ATOM 0 H ASP A 101 1.184 -9.680 4.996 1.00 0.00 H new ATOM 0 HA ASP A 101 3.105 -10.490 6.880 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.187 -11.860 6.086 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.931 -11.990 4.505 1.00 0.00 H new ATOM 1647 N VAL A 102 4.147 -10.431 3.734 1.00 0.00 N ATOM 1648 CA VAL A 102 5.361 -10.383 2.915 1.00 0.00 C ATOM 1649 C VAL A 102 6.213 -9.156 3.255 1.00 0.00 C ATOM 1650 O VAL A 102 7.381 -9.288 3.622 1.00 0.00 O ATOM 1651 CB VAL A 102 5.058 -10.431 1.389 1.00 0.00 C ATOM 1652 CG1 VAL A 102 3.893 -9.547 1.019 1.00 0.00 C ATOM 1653 CG2 VAL A 102 6.276 -10.040 0.568 1.00 0.00 C ATOM 0 H VAL A 102 3.276 -10.340 3.211 1.00 0.00 H new ATOM 0 HA VAL A 102 5.930 -11.281 3.158 1.00 0.00 H new ATOM 0 HB VAL A 102 4.794 -11.463 1.159 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.715 -9.610 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.002 -9.876 1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.119 -8.516 1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.029 -10.084 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.580 -9.026 0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.094 -10.729 0.779 1.00 0.00 H new ATOM 1663 N PHE A 103 5.617 -7.970 3.158 1.00 0.00 N ATOM 1664 CA PHE A 103 6.319 -6.716 3.452 1.00 0.00 C ATOM 1665 C PHE A 103 6.960 -6.727 4.852 1.00 0.00 C ATOM 1666 O PHE A 103 8.078 -6.232 5.028 1.00 0.00 O ATOM 1667 CB PHE A 103 5.367 -5.518 3.258 1.00 0.00 C ATOM 1668 CG PHE A 103 5.746 -4.281 4.043 1.00 0.00 C ATOM 1669 CD1 PHE A 103 6.957 -3.644 3.805 1.00 0.00 C ATOM 1670 CD2 PHE A 103 4.898 -3.754 5.019 1.00 0.00 C ATOM 1671 CE1 PHE A 103 7.317 -2.519 4.521 1.00 0.00 C ATOM 1672 CE2 PHE A 103 5.259 -2.627 5.732 1.00 0.00 C ATOM 1673 CZ PHE A 103 6.469 -2.011 5.485 1.00 0.00 C ATOM 0 H PHE A 103 4.644 -7.847 2.877 1.00 0.00 H new ATOM 0 HA PHE A 103 7.142 -6.613 2.745 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.334 -5.264 2.198 1.00 0.00 H new ATOM 0 HB3 PHE A 103 4.360 -5.820 3.545 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.625 -4.033 3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.950 -4.232 5.219 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.263 -2.036 4.327 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.594 -2.228 6.483 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.752 -1.132 6.045 1.00 0.00 H new ATOM 1683 N GLU A 104 6.275 -7.306 5.838 1.00 0.00 N ATOM 1684 CA GLU A 104 6.810 -7.427 7.182 1.00 0.00 C ATOM 1685 C GLU A 104 8.113 -8.218 7.188 1.00 0.00 C ATOM 1686 O GLU A 104 9.134 -7.749 7.692 1.00 0.00 O ATOM 1687 CB GLU A 104 5.782 -8.138 8.043 1.00 0.00 C ATOM 1688 CG GLU A 104 5.503 -7.463 9.360 1.00 0.00 C ATOM 1689 CD GLU A 104 6.544 -7.771 10.414 1.00 0.00 C ATOM 1690 OE1 GLU A 104 7.372 -6.889 10.717 1.00 0.00 O ATOM 1691 OE2 GLU A 104 6.542 -8.904 10.940 1.00 0.00 O ATOM 0 H GLU A 104 5.341 -7.700 5.723 1.00 0.00 H new ATOM 0 HA GLU A 104 7.020 -6.431 7.573 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.850 -8.217 7.484 1.00 0.00 H new ATOM 0 HB3 GLU A 104 6.126 -9.154 8.235 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.457 -6.385 9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.524 -7.776 9.722 1.00 0.00 H new ATOM 1698 N PHE A 105 8.069 -9.406 6.601 1.00 0.00 N ATOM 1699 CA PHE A 105 9.208 -10.316 6.609 1.00 0.00 C ATOM 1700 C PHE A 105 10.379 -9.733 5.823 1.00 0.00 C ATOM 1701 O PHE A 105 11.543 -9.938 6.175 1.00 0.00 O ATOM 1702 CB PHE A 105 8.791 -11.671 6.030 1.00 0.00 C ATOM 1703 CG PHE A 105 9.854 -12.729 6.111 1.00 0.00 C ATOM 1704 CD1 PHE A 105 10.341 -13.149 7.339 1.00 0.00 C ATOM 1705 CD2 PHE A 105 10.357 -13.313 4.961 1.00 0.00 C ATOM 1706 CE1 PHE A 105 11.310 -14.129 7.417 1.00 0.00 C ATOM 1707 CE2 PHE A 105 11.326 -14.294 5.033 1.00 0.00 C ATOM 1708 CZ PHE A 105 11.804 -14.703 6.263 1.00 0.00 C ATOM 0 H PHE A 105 7.250 -9.765 6.109 1.00 0.00 H new ATOM 0 HA PHE A 105 9.536 -10.455 7.639 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.904 -12.022 6.558 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.508 -11.536 4.986 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.958 -12.704 8.245 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.987 -12.998 3.997 1.00 0.00 H new ATOM 0 HE1 PHE A 105 11.681 -14.446 8.380 1.00 0.00 H new ATOM 0 HE2 PHE A 105 11.710 -14.741 4.128 1.00 0.00 H new ATOM 0 HZ PHE A 105 12.562 -15.470 6.321 1.00 0.00 H new ATOM 1718 N ARG A 106 10.067 -8.988 4.772 1.00 0.00 N ATOM 1719 CA ARG A 106 11.087 -8.362 3.951 1.00 0.00 C ATOM 1720 C ARG A 106 11.832 -7.297 4.747 1.00 0.00 C ATOM 1721 O ARG A 106 13.064 -7.257 4.754 1.00 0.00 O ATOM 1722 CB ARG A 106 10.463 -7.730 2.707 1.00 0.00 C ATOM 1723 CG ARG A 106 9.714 -8.697 1.808 1.00 0.00 C ATOM 1724 CD ARG A 106 10.569 -9.877 1.384 1.00 0.00 C ATOM 1725 NE ARG A 106 9.800 -10.806 0.568 1.00 0.00 N ATOM 1726 CZ ARG A 106 9.648 -12.098 0.829 1.00 0.00 C ATOM 1727 NH1 ARG A 106 10.308 -12.667 1.828 1.00 0.00 N ATOM 1728 NH2 ARG A 106 8.853 -12.828 0.061 1.00 0.00 N ATOM 0 H ARG A 106 9.111 -8.803 4.469 1.00 0.00 H new ATOM 0 HA ARG A 106 11.792 -9.133 3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.777 -6.943 3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 106 11.251 -7.252 2.126 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.829 -9.062 2.330 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.365 -8.168 0.921 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.433 -9.522 0.823 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.951 -10.391 2.266 1.00 0.00 H new ATOM 0 HE ARG A 106 9.344 -10.436 -0.266 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.940 -12.111 2.404 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.184 -13.661 2.020 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.364 -12.396 -0.723 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.730 -13.822 0.254 1.00 0.00 H new ATOM 1742 N TYR A 107 11.079 -6.441 5.427 1.00 0.00 N ATOM 1743 CA TYR A 107 11.678 -5.376 6.225 1.00 0.00 C ATOM 1744 C TYR A 107 12.337 -5.960 7.479 1.00 0.00 C ATOM 1745 O TYR A 107 13.256 -5.368 8.042 1.00 0.00 O ATOM 1746 CB TYR A 107 10.631 -4.317 6.608 1.00 0.00 C ATOM 1747 CG TYR A 107 11.234 -3.015 7.102 1.00 0.00 C ATOM 1748 CD1 TYR A 107 11.492 -1.971 6.222 1.00 0.00 C ATOM 1749 CD2 TYR A 107 11.554 -2.832 8.442 1.00 0.00 C ATOM 1750 CE1 TYR A 107 12.052 -0.789 6.661 1.00 0.00 C ATOM 1751 CE2 TYR A 107 12.113 -1.648 8.888 1.00 0.00 C ATOM 1752 CZ TYR A 107 12.359 -0.631 7.990 1.00 0.00 C ATOM 1753 OH TYR A 107 12.914 0.550 8.421 1.00 0.00 O ATOM 0 H TYR A 107 10.059 -6.462 5.443 1.00 0.00 H new ATOM 0 HA TYR A 107 12.443 -4.887 5.622 1.00 0.00 H new ATOM 0 HB2 TYR A 107 10.002 -4.111 5.742 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.982 -4.724 7.383 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.250 -2.087 5.176 1.00 0.00 H new ATOM 0 HD2 TYR A 107 11.363 -3.628 9.147 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.248 0.010 5.961 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.355 -1.521 9.933 1.00 0.00 H new ATOM 0 HH TYR A 107 12.468 0.840 9.244 1.00 0.00 H new ATOM 1763 N ALA A 108 11.870 -7.132 7.904 1.00 0.00 N ATOM 1764 CA ALA A 108 12.449 -7.813 9.053 1.00 0.00 C ATOM 1765 C ALA A 108 13.836 -8.355 8.720 1.00 0.00 C ATOM 1766 O ALA A 108 14.776 -8.204 9.499 1.00 0.00 O ATOM 1767 CB ALA A 108 11.534 -8.934 9.519 1.00 0.00 C ATOM 0 H ALA A 108 11.092 -7.627 7.468 1.00 0.00 H new ATOM 0 HA ALA A 108 12.554 -7.091 9.863 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.980 -9.434 10.379 1.00 0.00 H new ATOM 0 HB2 ALA A 108 10.566 -8.520 9.802 1.00 0.00 H new ATOM 0 HB3 ALA A 108 11.399 -9.653 8.711 1.00 0.00 H new ATOM 1773 N LYS A 109 13.959 -8.978 7.552 1.00 0.00 N ATOM 1774 CA LYS A 109 15.247 -9.483 7.085 1.00 0.00 C ATOM 1775 C LYS A 109 16.177 -8.339 6.716 1.00 0.00 C ATOM 1776 O LYS A 109 17.394 -8.505 6.667 1.00 0.00 O ATOM 1777 CB LYS A 109 15.066 -10.395 5.875 1.00 0.00 C ATOM 1778 CG LYS A 109 14.568 -11.785 6.221 1.00 0.00 C ATOM 1779 CD LYS A 109 14.373 -12.631 4.971 1.00 0.00 C ATOM 1780 CE LYS A 109 15.640 -12.711 4.129 1.00 0.00 C ATOM 1781 NZ LYS A 109 16.774 -13.321 4.868 1.00 0.00 N ATOM 0 H LYS A 109 13.183 -9.146 6.911 1.00 0.00 H new ATOM 0 HA LYS A 109 15.690 -10.054 7.901 1.00 0.00 H new ATOM 0 HB2 LYS A 109 14.363 -9.930 5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 109 16.018 -10.481 5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.280 -12.274 6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 109 13.625 -11.711 6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.066 -13.636 5.259 1.00 0.00 H new ATOM 0 HD3 LYS A 109 13.566 -12.210 4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 109 15.440 -13.295 3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 109 15.920 -11.709 3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 17.592 -13.415 4.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 17.029 -12.715 5.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 16.496 -14.261 5.216 1.00 0.00 H new ATOM 1795 N MET A 110 15.589 -7.188 6.442 1.00 0.00 N ATOM 1796 CA MET A 110 16.349 -5.993 6.106 1.00 0.00 C ATOM 1797 C MET A 110 17.191 -5.529 7.297 1.00 0.00 C ATOM 1798 O MET A 110 16.655 -5.177 8.348 1.00 0.00 O ATOM 1799 CB MET A 110 15.396 -4.882 5.636 1.00 0.00 C ATOM 1800 CG MET A 110 16.043 -3.513 5.508 1.00 0.00 C ATOM 1801 SD MET A 110 15.817 -2.509 6.985 1.00 0.00 S ATOM 1802 CE MET A 110 16.447 -0.948 6.395 1.00 0.00 C ATOM 0 H MET A 110 14.578 -7.054 6.445 1.00 0.00 H new ATOM 0 HA MET A 110 17.034 -6.230 5.292 1.00 0.00 H new ATOM 0 HB2 MET A 110 14.977 -5.164 4.670 1.00 0.00 H new ATOM 0 HB3 MET A 110 14.564 -4.813 6.337 1.00 0.00 H new ATOM 0 HG2 MET A 110 17.109 -3.634 5.313 1.00 0.00 H new ATOM 0 HG3 MET A 110 15.619 -2.992 4.649 1.00 0.00 H new ATOM 0 HE1 MET A 110 15.949 -0.133 6.920 1.00 0.00 H new ATOM 0 HE2 MET A 110 17.520 -0.896 6.579 1.00 0.00 H new ATOM 0 HE3 MET A 110 16.257 -0.860 5.325 1.00 0.00 H new ATOM 1812 N PRO A 111 18.526 -5.561 7.161 1.00 0.00 N ATOM 1813 CA PRO A 111 19.432 -5.082 8.189 1.00 0.00 C ATOM 1814 C PRO A 111 19.771 -3.604 8.011 1.00 0.00 C ATOM 1815 O PRO A 111 19.700 -3.068 6.900 1.00 0.00 O ATOM 1816 CB PRO A 111 20.666 -5.949 7.972 1.00 0.00 C ATOM 1817 CG PRO A 111 20.688 -6.220 6.503 1.00 0.00 C ATOM 1818 CD PRO A 111 19.267 -6.095 6.003 1.00 0.00 C ATOM 0 HA PRO A 111 19.009 -5.154 9.191 1.00 0.00 H new ATOM 0 HB2 PRO A 111 21.572 -5.435 8.293 1.00 0.00 H new ATOM 0 HB3 PRO A 111 20.605 -6.875 8.544 1.00 0.00 H new ATOM 0 HG2 PRO A 111 21.339 -5.512 5.991 1.00 0.00 H new ATOM 0 HG3 PRO A 111 21.080 -7.217 6.302 1.00 0.00 H new ATOM 0 HD2 PRO A 111 19.203 -5.425 5.145 1.00 0.00 H new ATOM 0 HD3 PRO A 111 18.870 -7.059 5.685 1.00 0.00 H new ATOM 1826 N ASP A 112 20.128 -2.955 9.106 1.00 0.00 N ATOM 1827 CA ASP A 112 20.499 -1.550 9.080 1.00 0.00 C ATOM 1828 C ASP A 112 22.011 -1.411 9.080 1.00 0.00 C ATOM 1829 O ASP A 112 22.612 -1.363 7.984 1.00 0.00 O ATOM 1830 CB ASP A 112 19.903 -0.809 10.279 1.00 0.00 C ATOM 1831 CG ASP A 112 18.405 -0.627 10.164 1.00 0.00 C ATOM 1832 OD1 ASP A 112 17.653 -1.461 10.715 1.00 0.00 O ATOM 1833 OD2 ASP A 112 17.971 0.356 9.529 1.00 0.00 O ATOM 1834 OXT ASP A 112 22.602 -1.382 10.179 1.00 0.00 O ATOM 0 H ASP A 112 20.169 -3.383 10.031 1.00 0.00 H new ATOM 0 HA ASP A 112 20.100 -1.105 8.168 1.00 0.00 H new ATOM 0 HB2 ASP A 112 20.129 -1.361 11.192 1.00 0.00 H new ATOM 0 HB3 ASP A 112 20.378 0.168 10.371 1.00 0.00 H new TER 1839 ASP A 112 ATOM 1840 N HIS B 281 -18.662 8.596 9.413 1.00 0.00 N ATOM 1841 CA HIS B 281 -19.795 9.383 9.948 1.00 0.00 C ATOM 1842 C HIS B 281 -20.915 9.446 8.926 1.00 0.00 C ATOM 1843 O HIS B 281 -20.655 9.492 7.723 1.00 0.00 O ATOM 1844 CB HIS B 281 -19.350 10.800 10.322 1.00 0.00 C ATOM 1845 CG HIS B 281 -18.375 10.851 11.459 1.00 0.00 C ATOM 1846 ND1 HIS B 281 -17.072 11.280 11.319 1.00 0.00 N ATOM 1847 CD2 HIS B 281 -18.523 10.529 12.766 1.00 0.00 C ATOM 1848 CE1 HIS B 281 -16.462 11.216 12.488 1.00 0.00 C ATOM 1849 NE2 HIS B 281 -17.321 10.764 13.381 1.00 0.00 N ATOM 0 HA HIS B 281 -20.157 8.888 10.849 1.00 0.00 H new ATOM 0 HB2 HIS B 281 -18.899 11.271 9.448 1.00 0.00 H new ATOM 0 HB3 HIS B 281 -20.229 11.389 10.584 1.00 0.00 H new ATOM 0 HD2 HIS B 281 -19.421 10.156 13.236 1.00 0.00 H new ATOM 0 HE1 HIS B 281 -15.435 11.488 12.680 1.00 0.00 H new ATOM 0 HE2 HIS B 281 -17.123 10.614 14.370 1.00 0.00 H new ATOM 1860 N ASN B 282 -22.152 9.440 9.423 1.00 0.00 N ATOM 1861 CA ASN B 282 -23.355 9.440 8.586 1.00 0.00 C ATOM 1862 C ASN B 282 -23.478 8.138 7.801 1.00 0.00 C ATOM 1863 O ASN B 282 -24.223 7.236 8.187 1.00 0.00 O ATOM 1864 CB ASN B 282 -23.382 10.638 7.628 1.00 0.00 C ATOM 1865 CG ASN B 282 -24.626 10.659 6.756 1.00 0.00 C ATOM 1866 OD1 ASN B 282 -25.697 10.209 7.166 1.00 0.00 O ATOM 1867 ND2 ASN B 282 -24.488 11.166 5.541 1.00 0.00 N ATOM 0 H ASN B 282 -22.350 9.435 10.424 1.00 0.00 H new ATOM 0 HA ASN B 282 -24.209 9.526 9.257 1.00 0.00 H new ATOM 0 HB2 ASN B 282 -23.331 11.561 8.205 1.00 0.00 H new ATOM 0 HB3 ASN B 282 -22.497 10.610 6.992 1.00 0.00 H new ATOM 0 HD21 ASN B 282 -25.286 11.194 4.906 1.00 0.00 H new ATOM 0 HD22 ASN B 282 -23.584 11.529 5.239 1.00 0.00 H new ATOM 1874 N LEU B 283 -22.730 8.039 6.714 1.00 0.00 N ATOM 1875 CA LEU B 283 -22.759 6.862 5.866 1.00 0.00 C ATOM 1876 C LEU B 283 -21.419 6.692 5.166 1.00 0.00 C ATOM 1877 O LEU B 283 -21.076 7.457 4.264 1.00 0.00 O ATOM 1878 CB LEU B 283 -23.883 6.973 4.830 1.00 0.00 C ATOM 1879 CG LEU B 283 -23.987 5.797 3.855 1.00 0.00 C ATOM 1880 CD1 LEU B 283 -24.251 4.501 4.606 1.00 0.00 C ATOM 1881 CD2 LEU B 283 -25.082 6.052 2.831 1.00 0.00 C ATOM 0 H LEU B 283 -22.090 8.768 6.398 1.00 0.00 H new ATOM 0 HA LEU B 283 -22.948 5.989 6.490 1.00 0.00 H new ATOM 0 HB2 LEU B 283 -24.832 7.073 5.356 1.00 0.00 H new ATOM 0 HB3 LEU B 283 -23.738 7.888 4.256 1.00 0.00 H new ATOM 0 HG LEU B 283 -23.037 5.701 3.329 1.00 0.00 H new ATOM 0 HD11 LEU B 283 -24.322 3.677 3.896 1.00 0.00 H new ATOM 0 HD12 LEU B 283 -23.434 4.311 5.302 1.00 0.00 H new ATOM 0 HD13 LEU B 283 -25.187 4.585 5.159 1.00 0.00 H new ATOM 0 HD21 LEU B 283 -25.143 5.207 2.145 1.00 0.00 H new ATOM 0 HD22 LEU B 283 -26.037 6.174 3.342 1.00 0.00 H new ATOM 0 HD23 LEU B 283 -24.852 6.958 2.270 1.00 0.00 H new ATOM 1893 N LEU B 284 -20.656 5.702 5.592 1.00 0.00 N ATOM 1894 CA LEU B 284 -19.375 5.427 4.970 1.00 0.00 C ATOM 1895 C LEU B 284 -19.494 4.279 3.984 1.00 0.00 C ATOM 1896 O LEU B 284 -20.212 3.305 4.219 1.00 0.00 O ATOM 1897 CB LEU B 284 -18.309 5.121 6.021 1.00 0.00 C ATOM 1898 CG LEU B 284 -17.865 6.320 6.860 1.00 0.00 C ATOM 1899 CD1 LEU B 284 -16.738 5.926 7.798 1.00 0.00 C ATOM 1900 CD2 LEU B 284 -17.436 7.471 5.965 1.00 0.00 C ATOM 0 H LEU B 284 -20.900 5.079 6.362 1.00 0.00 H new ATOM 0 HA LEU B 284 -19.068 6.320 4.426 1.00 0.00 H new ATOM 0 HB2 LEU B 284 -18.691 4.350 6.690 1.00 0.00 H new ATOM 0 HB3 LEU B 284 -17.435 4.704 5.520 1.00 0.00 H new ATOM 0 HG LEU B 284 -18.713 6.650 7.460 1.00 0.00 H new ATOM 0 HD11 LEU B 284 -16.435 6.792 8.387 1.00 0.00 H new ATOM 0 HD12 LEU B 284 -17.080 5.135 8.465 1.00 0.00 H new ATOM 0 HD13 LEU B 284 -15.889 5.568 7.216 1.00 0.00 H new ATOM 0 HD21 LEU B 284 -17.124 8.314 6.581 1.00 0.00 H new ATOM 0 HD22 LEU B 284 -16.604 7.153 5.337 1.00 0.00 H new ATOM 0 HD23 LEU B 284 -18.272 7.773 5.334 1.00 0.00 H new ATOM 1912 N ARG B 285 -18.790 4.422 2.874 1.00 0.00 N ATOM 1913 CA ARG B 285 -18.808 3.438 1.807 1.00 0.00 C ATOM 1914 C ARG B 285 -17.765 2.357 2.064 1.00 0.00 C ATOM 1915 O ARG B 285 -16.894 2.518 2.920 1.00 0.00 O ATOM 1916 CB ARG B 285 -18.549 4.120 0.463 1.00 0.00 C ATOM 1917 CG ARG B 285 -19.779 4.760 -0.164 1.00 0.00 C ATOM 1918 CD ARG B 285 -20.268 5.966 0.625 1.00 0.00 C ATOM 1919 NE ARG B 285 -21.488 6.523 0.045 1.00 0.00 N ATOM 1920 CZ ARG B 285 -22.149 7.573 0.532 1.00 0.00 C ATOM 1921 NH1 ARG B 285 -21.699 8.217 1.601 1.00 0.00 N ATOM 1922 NH2 ARG B 285 -23.265 7.978 -0.055 1.00 0.00 N ATOM 0 H ARG B 285 -18.189 5.225 2.688 1.00 0.00 H new ATOM 0 HA ARG B 285 -19.791 2.968 1.779 1.00 0.00 H new ATOM 0 HB2 ARG B 285 -17.785 4.886 0.599 1.00 0.00 H new ATOM 0 HB3 ARG B 285 -18.143 3.385 -0.232 1.00 0.00 H new ATOM 0 HG2 ARG B 285 -19.547 5.066 -1.184 1.00 0.00 H new ATOM 0 HG3 ARG B 285 -20.578 4.021 -0.227 1.00 0.00 H new ATOM 0 HD2 ARG B 285 -20.455 5.675 1.659 1.00 0.00 H new ATOM 0 HD3 ARG B 285 -19.491 6.730 0.644 1.00 0.00 H new ATOM 0 HE ARG B 285 -21.861 6.076 -0.793 1.00 0.00 H new ATOM 0 HH11 ARG B 285 -20.840 7.910 2.058 1.00 0.00 H new ATOM 0 HH12 ARG B 285 -22.212 9.019 1.966 1.00 0.00 H new ATOM 0 HH21 ARG B 285 -23.616 7.487 -0.877 1.00 0.00 H new ATOM 0 HH22 ARG B 285 -23.773 8.781 0.315 1.00 0.00 H new ATOM 1936 N ILE B 286 -17.854 1.263 1.325 1.00 0.00 N ATOM 1937 CA ILE B 286 -17.013 0.103 1.584 1.00 0.00 C ATOM 1938 C ILE B 286 -16.139 -0.264 0.391 1.00 0.00 C ATOM 1939 O ILE B 286 -15.432 -1.268 0.441 1.00 0.00 O ATOM 1940 CB ILE B 286 -17.861 -1.128 1.961 1.00 0.00 C ATOM 1941 CG1 ILE B 286 -18.896 -1.418 0.867 1.00 0.00 C ATOM 1942 CG2 ILE B 286 -18.539 -0.912 3.305 1.00 0.00 C ATOM 1943 CD1 ILE B 286 -19.741 -2.644 1.135 1.00 0.00 C ATOM 0 H ILE B 286 -18.498 1.153 0.542 1.00 0.00 H new ATOM 0 HA ILE B 286 -16.369 0.385 2.417 1.00 0.00 H new ATOM 0 HB ILE B 286 -17.204 -1.993 2.046 1.00 0.00 H new ATOM 0 HG12 ILE B 286 -19.551 -0.553 0.761 1.00 0.00 H new ATOM 0 HG13 ILE B 286 -18.379 -1.545 -0.084 1.00 0.00 H new ATOM 0 HG21 ILE B 286 -19.134 -1.790 3.558 1.00 0.00 H new ATOM 0 HG22 ILE B 286 -17.782 -0.754 4.073 1.00 0.00 H new ATOM 0 HG23 ILE B 286 -19.188 -0.038 3.249 1.00 0.00 H new ATOM 0 HD11 ILE B 286 -20.449 -2.784 0.318 1.00 0.00 H new ATOM 0 HD12 ILE B 286 -19.097 -3.520 1.211 1.00 0.00 H new ATOM 0 HD13 ILE B 286 -20.287 -2.513 2.069 1.00 0.00 H new HETATM 1955 OH ALY B 287 -9.548 1.862 0.449 1.00 0.00 O HETATM 1956 CH ALY B 287 -8.997 1.217 -0.440 1.00 0.00 C HETATM 1957 CH3 ALY B 287 -7.475 1.039 -0.403 1.00 0.00 C HETATM 1958 NZ ALY B 287 -9.681 0.666 -1.433 1.00 0.00 N HETATM 1959 CE ALY B 287 -11.129 0.771 -1.579 1.00 0.00 C HETATM 1960 CD ALY B 287 -11.663 -0.223 -2.599 1.00 0.00 C HETATM 1961 CG ALY B 287 -13.136 0.003 -2.902 1.00 0.00 C HETATM 1962 CB ALY B 287 -13.994 -0.028 -1.648 1.00 0.00 C HETATM 1963 CA ALY B 287 -15.465 0.293 -1.915 1.00 0.00 C HETATM 1964 N ALY B 287 -16.198 0.551 -0.667 1.00 0.00 N HETATM 1965 C ALY B 287 -16.115 -0.850 -2.693 1.00 0.00 C HETATM 1966 O ALY B 287 -16.417 -1.905 -2.136 1.00 0.00 O HETATM 0 HH33 ALY B 287 -6.993 2.016 -0.440 1.00 0.00 H new HETATM 0 HH32 ALY B 287 -7.191 0.529 0.517 1.00 0.00 H new HETATM 0 HH31 ALY B 287 -7.157 0.445 -1.260 1.00 0.00 H new HETATM 0 HZ ALY B 287 -9.165 0.138 -2.136 1.00 0.00 H new HETATM 0 HG3 ALY B 287 -13.483 -0.762 -3.596 1.00 0.00 H new HETATM 0 HG2 ALY B 287 -13.259 0.965 -3.400 1.00 0.00 H new HETATM 0 HE3 ALY B 287 -11.392 1.784 -1.885 1.00 0.00 H new HETATM 0 HE2 ALY B 287 -11.606 0.595 -0.615 1.00 0.00 H new HETATM 0 HD3 ALY B 287 -11.522 -1.237 -2.225 1.00 0.00 H new HETATM 0 HD2 ALY B 287 -11.087 -0.140 -3.521 1.00 0.00 H new HETATM 0 HCA ALY B 287 -15.509 1.203 -2.513 1.00 0.00 H new HETATM 0 HB3 ALY B 287 -13.598 0.687 -0.927 1.00 0.00 H new HETATM 0 HB2 ALY B 287 -13.922 -1.015 -1.191 1.00 0.00 H new HETATM 0 H2 ALY B 287 -17.192 0.779 -0.697 1.00 0.00 H new ATOM 1981 N GLN B 288 -16.323 -0.649 -3.987 1.00 0.00 N ATOM 1982 CA GLN B 288 -16.975 -1.663 -4.807 1.00 0.00 C ATOM 1983 C GLN B 288 -15.974 -2.696 -5.319 1.00 0.00 C ATOM 1984 O GLN B 288 -15.826 -2.900 -6.525 1.00 0.00 O ATOM 1985 CB GLN B 288 -17.730 -1.025 -5.976 1.00 0.00 C ATOM 1986 CG GLN B 288 -18.873 -0.119 -5.540 1.00 0.00 C ATOM 1987 CD GLN B 288 -19.742 -0.748 -4.465 1.00 0.00 C ATOM 1988 OE1 GLN B 288 -19.505 -0.560 -3.271 1.00 0.00 O ATOM 1989 NE2 GLN B 288 -20.741 -1.512 -4.875 1.00 0.00 N ATOM 0 H GLN B 288 -16.053 0.197 -4.488 1.00 0.00 H new ATOM 0 HA GLN B 288 -17.696 -2.178 -4.172 1.00 0.00 H new ATOM 0 HB2 GLN B 288 -17.029 -0.447 -6.579 1.00 0.00 H new ATOM 0 HB3 GLN B 288 -18.126 -1.814 -6.616 1.00 0.00 H new ATOM 0 HG2 GLN B 288 -18.465 0.821 -5.168 1.00 0.00 H new ATOM 0 HG3 GLN B 288 -19.490 0.122 -6.405 1.00 0.00 H new ATOM 0 HE21 GLN B 288 -20.906 -1.644 -5.873 1.00 0.00 H new ATOM 0 HE22 GLN B 288 -21.346 -1.969 -4.193 1.00 0.00 H new ATOM 1998 N PHE B 289 -15.282 -3.335 -4.389 1.00 0.00 N ATOM 1999 CA PHE B 289 -14.412 -4.456 -4.712 1.00 0.00 C ATOM 2000 C PHE B 289 -15.146 -5.755 -4.411 1.00 0.00 C ATOM 2001 O PHE B 289 -15.685 -5.924 -3.312 1.00 0.00 O ATOM 2002 CB PHE B 289 -13.092 -4.382 -3.926 1.00 0.00 C ATOM 2003 CG PHE B 289 -12.069 -3.442 -4.514 1.00 0.00 C ATOM 2004 CD1 PHE B 289 -12.431 -2.501 -5.467 1.00 0.00 C ATOM 2005 CD2 PHE B 289 -10.739 -3.502 -4.116 1.00 0.00 C ATOM 2006 CE1 PHE B 289 -11.494 -1.643 -6.010 1.00 0.00 C ATOM 2007 CE2 PHE B 289 -9.800 -2.644 -4.656 1.00 0.00 C ATOM 2008 CZ PHE B 289 -10.178 -1.715 -5.604 1.00 0.00 C ATOM 0 H PHE B 289 -15.306 -3.095 -3.398 1.00 0.00 H new ATOM 0 HA PHE B 289 -14.159 -4.416 -5.772 1.00 0.00 H new ATOM 0 HB2 PHE B 289 -13.309 -4.071 -2.904 1.00 0.00 H new ATOM 0 HB3 PHE B 289 -12.660 -5.381 -3.870 1.00 0.00 H new ATOM 0 HD1 PHE B 289 -13.460 -2.438 -5.789 1.00 0.00 H new ATOM 0 HD2 PHE B 289 -10.436 -4.228 -3.376 1.00 0.00 H new ATOM 0 HE1 PHE B 289 -11.792 -0.917 -6.752 1.00 0.00 H new ATOM 0 HE2 PHE B 289 -8.770 -2.700 -4.336 1.00 0.00 H new ATOM 0 HZ PHE B 289 -9.444 -1.045 -6.027 1.00 0.00 H new ATOM 2018 N LEU B 290 -15.174 -6.647 -5.399 1.00 0.00 N ATOM 2019 CA LEU B 290 -15.926 -7.899 -5.321 1.00 0.00 C ATOM 2020 C LEU B 290 -17.425 -7.615 -5.246 1.00 0.00 C ATOM 2021 O LEU B 290 -18.021 -7.615 -4.167 1.00 0.00 O ATOM 2022 CB LEU B 290 -15.488 -8.746 -4.122 1.00 0.00 C ATOM 2023 CG LEU B 290 -16.093 -10.150 -4.067 1.00 0.00 C ATOM 2024 CD1 LEU B 290 -15.477 -11.042 -5.133 1.00 0.00 C ATOM 2025 CD2 LEU B 290 -15.910 -10.754 -2.687 1.00 0.00 C ATOM 0 H LEU B 290 -14.674 -6.522 -6.279 1.00 0.00 H new ATOM 0 HA LEU B 290 -15.715 -8.468 -6.227 1.00 0.00 H new ATOM 0 HB2 LEU B 290 -14.402 -8.835 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU B 290 -15.752 -8.217 -3.206 1.00 0.00 H new ATOM 0 HG LEU B 290 -17.162 -10.072 -4.267 1.00 0.00 H new ATOM 0 HD11 LEU B 290 -15.921 -12.036 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU B 290 -15.666 -10.615 -6.118 1.00 0.00 H new ATOM 0 HD13 LEU B 290 -14.402 -11.115 -4.969 1.00 0.00 H new ATOM 0 HD21 LEU B 290 -16.346 -11.753 -2.666 1.00 0.00 H new ATOM 0 HD22 LEU B 290 -14.847 -10.818 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU B 290 -16.405 -10.126 -1.946 1.00 0.00 H new ATOM 2037 N GLN B 291 -18.029 -7.365 -6.396 1.00 0.00 N ATOM 2038 CA GLN B 291 -19.456 -7.090 -6.460 1.00 0.00 C ATOM 2039 C GLN B 291 -20.188 -8.250 -7.123 1.00 0.00 C ATOM 2040 O GLN B 291 -19.631 -8.939 -7.980 1.00 0.00 O ATOM 2041 CB GLN B 291 -19.729 -5.791 -7.228 1.00 0.00 C ATOM 2042 CG GLN B 291 -19.174 -5.785 -8.645 1.00 0.00 C ATOM 2043 CD GLN B 291 -19.664 -4.605 -9.460 1.00 0.00 C ATOM 2044 OE1 GLN B 291 -19.048 -3.537 -9.470 1.00 0.00 O ATOM 2045 NE2 GLN B 291 -20.766 -4.794 -10.168 1.00 0.00 N ATOM 0 H GLN B 291 -17.554 -7.347 -7.298 1.00 0.00 H new ATOM 0 HA GLN B 291 -19.824 -6.972 -5.441 1.00 0.00 H new ATOM 0 HB2 GLN B 291 -20.805 -5.624 -7.269 1.00 0.00 H new ATOM 0 HB3 GLN B 291 -19.298 -4.956 -6.676 1.00 0.00 H new ATOM 0 HG2 GLN B 291 -18.085 -5.766 -8.604 1.00 0.00 H new ATOM 0 HG3 GLN B 291 -19.458 -6.710 -9.146 1.00 0.00 H new ATOM 0 HE21 GLN B 291 -21.247 -5.693 -10.133 1.00 0.00 H new ATOM 0 HE22 GLN B 291 -21.134 -4.041 -10.749 1.00 0.00 H new ATOM 2054 N SER B 292 -21.424 -8.473 -6.711 1.00 0.00 N ATOM 2055 CA SER B 292 -22.243 -9.521 -7.288 1.00 0.00 C ATOM 2056 C SER B 292 -23.019 -8.982 -8.486 1.00 0.00 C ATOM 2057 O SER B 292 -22.746 -9.425 -9.622 1.00 0.00 O ATOM 2058 CB SER B 292 -23.194 -10.084 -6.235 1.00 0.00 C ATOM 2059 OG SER B 292 -22.471 -10.598 -5.127 1.00 0.00 O ATOM 2060 OXT SER B 292 -23.866 -8.086 -8.294 1.00 0.00 O ATOM 0 H SER B 292 -21.883 -7.938 -5.974 1.00 0.00 H new ATOM 0 HA SER B 292 -21.597 -10.328 -7.633 1.00 0.00 H new ATOM 0 HB2 SER B 292 -23.876 -9.303 -5.899 1.00 0.00 H new ATOM 0 HB3 SER B 292 -23.805 -10.873 -6.674 1.00 0.00 H new ATOM 0 HG SER B 292 -23.099 -10.952 -4.463 1.00 0.00 H new TER 2066 SER B 292