USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 THR OG1 : rot 171:sc= 0.445 USER MOD Set 1.2: A 39 HIS :FLIP no HE2:sc= 0.479 F(o=-3.5!,f=0.92) USER MOD Set 2.1: A 9 TYR OH : rot 180:sc= 0.284 USER MOD Set 2.2: A 19 LYS NZ :NH3+ -173:sc= 0.187 (180deg=-0.0993) USER MOD Set 3.1: A 14 ASN : amide:sc= 0.0153 K(o=1.1,f=-8.9!) USER MOD Set 3.2: A 16 LYS NZ :NH3+ -156:sc= 1.12 (180deg=-0.133) USER MOD Single : A 4 HIS : no HD1:sc= -0.0763 X(o=-0.076,f=-0.08) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0.206 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 17 TYR OH : rot -159:sc= 0.79 USER MOD Single : A 24 LYS NZ :NH3+ 165:sc= 1.12 (180deg=0.163) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.154! C(o=-0.15!,f=-4.4!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 1.07 (180deg=1.07) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -170:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 168:sc= -0.0311 (180deg=-0.23) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.406 K(o=-0.41,f=-3.3!) USER MOD Single : A 52 LYS NZ :NH3+ -174:sc= 0.635 (180deg=0.605) USER MOD Single : A 53 MET CE :methyl 167:sc= -0.0205 (180deg=-0.271) USER MOD Single : A 55 ASN : amide:sc= -0.846 X(o=-0.85,f=-0.4) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 56:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 61 N HIS A 4 -1.762 14.840 -9.130 1.00 0.00 N ATOM 62 CA HIS A 4 -0.946 13.626 -9.056 1.00 0.00 C ATOM 63 C HIS A 4 -1.561 12.672 -8.048 1.00 0.00 C ATOM 64 O HIS A 4 -1.646 11.470 -8.277 1.00 0.00 O ATOM 65 CB HIS A 4 0.565 13.905 -8.685 1.00 0.00 C ATOM 66 CG HIS A 4 0.835 14.445 -7.293 1.00 0.00 C ATOM 67 ND1 HIS A 4 1.662 13.820 -6.397 1.00 0.00 N ATOM 68 CD2 HIS A 4 0.381 15.545 -6.664 1.00 0.00 C ATOM 69 CE1 HIS A 4 1.694 14.501 -5.277 1.00 0.00 C ATOM 70 NE2 HIS A 4 0.925 15.558 -5.413 1.00 0.00 N ATOM 0 HA HIS A 4 -0.939 13.183 -10.052 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.122 12.976 -8.804 1.00 0.00 H new ATOM 0 HB3 HIS A 4 0.968 14.613 -9.409 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -0.292 16.283 -7.075 1.00 0.00 H new ATOM 0 HE1 HIS A 4 2.256 14.238 -4.393 1.00 0.00 H new ATOM 0 HE2 HIS A 4 0.762 16.270 -4.701 1.00 0.00 H new ATOM 79 N GLY A 5 -2.035 13.230 -6.967 1.00 0.00 N ATOM 80 CA GLY A 5 -2.557 12.447 -5.912 1.00 0.00 C ATOM 81 C GLY A 5 -1.957 12.831 -4.600 1.00 0.00 C ATOM 82 O GLY A 5 -1.535 13.980 -4.419 1.00 0.00 O ATOM 0 H GLY A 5 -2.064 14.237 -6.806 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.639 12.568 -5.868 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.362 11.393 -6.108 1.00 0.00 H new ATOM 86 N LYS A 6 -1.890 11.889 -3.712 1.00 0.00 N ATOM 87 CA LYS A 6 -1.406 12.114 -2.358 1.00 0.00 C ATOM 88 C LYS A 6 -0.321 11.107 -2.008 1.00 0.00 C ATOM 89 O LYS A 6 -0.217 10.061 -2.643 1.00 0.00 O ATOM 90 CB LYS A 6 -2.556 11.927 -1.359 1.00 0.00 C ATOM 91 CG LYS A 6 -3.750 12.840 -1.561 1.00 0.00 C ATOM 92 CD LYS A 6 -4.876 12.468 -0.609 1.00 0.00 C ATOM 93 CE LYS A 6 -6.098 13.342 -0.818 1.00 0.00 C ATOM 94 NZ LYS A 6 -7.228 12.925 0.038 1.00 0.00 N ATOM 0 H LYS A 6 -2.170 10.925 -3.895 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.008 13.127 -2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.897 10.893 -1.414 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.168 12.082 -0.352 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.454 13.876 -1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.099 12.769 -2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.147 11.422 -0.756 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.530 12.566 0.420 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.843 14.380 -0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.400 13.299 -1.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.043 13.547 -0.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.489 11.943 -0.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.949 12.990 1.038 1.00 0.00 H new ATOM 108 N TYR A 7 0.482 11.436 -1.032 1.00 0.00 N ATOM 109 CA TYR A 7 1.419 10.503 -0.451 1.00 0.00 C ATOM 110 C TYR A 7 0.976 10.219 0.954 1.00 0.00 C ATOM 111 O TYR A 7 0.982 11.119 1.806 1.00 0.00 O ATOM 112 CB TYR A 7 2.853 11.039 -0.429 1.00 0.00 C ATOM 113 CG TYR A 7 3.608 10.909 -1.726 1.00 0.00 C ATOM 114 CD1 TYR A 7 4.319 9.750 -2.003 1.00 0.00 C ATOM 115 CD2 TYR A 7 3.633 11.936 -2.661 1.00 0.00 C ATOM 116 CE1 TYR A 7 5.032 9.611 -3.171 1.00 0.00 C ATOM 117 CE2 TYR A 7 4.347 11.806 -3.839 1.00 0.00 C ATOM 118 CZ TYR A 7 5.048 10.641 -4.087 1.00 0.00 C ATOM 119 OH TYR A 7 5.751 10.498 -5.264 1.00 0.00 O ATOM 0 H TYR A 7 0.507 12.365 -0.612 1.00 0.00 H new ATOM 0 HA TYR A 7 1.427 9.602 -1.064 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.826 12.092 -0.147 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.408 10.515 0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.312 8.941 -1.287 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.088 12.848 -2.466 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.576 8.700 -3.369 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.356 12.610 -4.560 1.00 0.00 H new ATOM 0 HH TYR A 7 5.660 11.313 -5.800 1.00 0.00 H new ATOM 129 N VAL A 8 0.584 9.001 1.194 1.00 0.00 N ATOM 130 CA VAL A 8 0.084 8.580 2.489 1.00 0.00 C ATOM 131 C VAL A 8 0.714 7.247 2.852 1.00 0.00 C ATOM 132 O VAL A 8 1.586 6.758 2.122 1.00 0.00 O ATOM 133 CB VAL A 8 -1.479 8.482 2.535 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.129 9.828 2.238 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.007 7.423 1.588 1.00 0.00 C ATOM 0 H VAL A 8 0.599 8.258 0.495 1.00 0.00 H new ATOM 0 HA VAL A 8 0.362 9.340 3.219 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.745 8.187 3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.213 9.725 2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.806 10.559 2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.833 10.164 1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.095 7.388 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.710 7.667 0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.596 6.452 1.863 1.00 0.00 H new ATOM 145 N TYR A 9 0.320 6.668 3.958 1.00 0.00 N ATOM 146 CA TYR A 9 0.910 5.423 4.389 1.00 0.00 C ATOM 147 C TYR A 9 -0.144 4.369 4.601 1.00 0.00 C ATOM 148 O TYR A 9 -1.271 4.675 4.983 1.00 0.00 O ATOM 149 CB TYR A 9 1.719 5.625 5.678 1.00 0.00 C ATOM 150 CG TYR A 9 2.856 6.598 5.520 1.00 0.00 C ATOM 151 CD1 TYR A 9 4.064 6.192 4.988 1.00 0.00 C ATOM 152 CD2 TYR A 9 2.711 7.933 5.881 1.00 0.00 C ATOM 153 CE1 TYR A 9 5.095 7.080 4.810 1.00 0.00 C ATOM 154 CE2 TYR A 9 3.743 8.828 5.712 1.00 0.00 C ATOM 155 CZ TYR A 9 4.931 8.395 5.174 1.00 0.00 C ATOM 156 OH TYR A 9 5.958 9.288 4.978 1.00 0.00 O ATOM 0 H TYR A 9 -0.404 7.036 4.575 1.00 0.00 H new ATOM 0 HA TYR A 9 1.582 5.083 3.601 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.053 5.979 6.465 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.115 4.664 6.005 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.200 5.158 4.707 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.775 8.272 6.300 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.031 6.747 4.386 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.620 9.862 6.000 1.00 0.00 H new ATOM 0 HH TYR A 9 5.682 10.176 5.287 1.00 0.00 H new ATOM 166 N ILE A 10 0.195 3.143 4.320 1.00 0.00 N ATOM 167 CA ILE A 10 -0.706 2.045 4.593 1.00 0.00 C ATOM 168 C ILE A 10 -0.416 1.526 5.987 1.00 0.00 C ATOM 169 O ILE A 10 0.758 1.282 6.343 1.00 0.00 O ATOM 170 CB ILE A 10 -0.586 0.887 3.556 1.00 0.00 C ATOM 171 CG1 ILE A 10 -0.870 1.385 2.129 1.00 0.00 C ATOM 172 CG2 ILE A 10 -1.488 -0.300 3.912 1.00 0.00 C ATOM 173 CD1 ILE A 10 -2.197 2.094 1.968 1.00 0.00 C ATOM 0 H ILE A 10 1.086 2.873 3.903 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.727 2.419 4.517 1.00 0.00 H new ATOM 0 HB ILE A 10 0.444 0.533 3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.071 2.062 1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.841 0.535 1.448 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.372 -1.083 3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.207 -0.690 4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.527 0.027 3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.316 2.412 0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.007 1.415 2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.225 2.967 2.621 1.00 0.00 H new ATOM 185 N ASP A 11 -1.459 1.373 6.769 1.00 0.00 N ATOM 186 CA ASP A 11 -1.349 0.948 8.145 1.00 0.00 C ATOM 187 C ASP A 11 -1.028 -0.526 8.256 1.00 0.00 C ATOM 188 O ASP A 11 -1.912 -1.369 8.288 1.00 0.00 O ATOM 189 CB ASP A 11 -2.604 1.318 8.960 1.00 0.00 C ATOM 190 CG ASP A 11 -2.555 0.852 10.411 1.00 0.00 C ATOM 191 OD1 ASP A 11 -1.717 1.361 11.195 1.00 0.00 O ATOM 192 OD2 ASP A 11 -3.404 0.022 10.816 1.00 0.00 O ATOM 0 H ASP A 11 -2.418 1.542 6.465 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.510 1.492 8.579 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.733 2.400 8.940 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.480 0.884 8.478 1.00 0.00 H new ATOM 197 N LEU A 12 0.256 -0.821 8.185 1.00 0.00 N ATOM 198 CA LEU A 12 0.757 -2.162 8.422 1.00 0.00 C ATOM 199 C LEU A 12 0.834 -2.350 9.920 1.00 0.00 C ATOM 200 O LEU A 12 0.777 -3.465 10.436 1.00 0.00 O ATOM 201 CB LEU A 12 2.149 -2.329 7.816 1.00 0.00 C ATOM 202 CG LEU A 12 2.287 -2.082 6.317 1.00 0.00 C ATOM 203 CD1 LEU A 12 3.749 -2.146 5.915 1.00 0.00 C ATOM 204 CD2 LEU A 12 1.485 -3.104 5.533 1.00 0.00 C ATOM 0 H LEU A 12 0.981 -0.139 7.962 1.00 0.00 H new ATOM 0 HA LEU A 12 0.098 -2.899 7.962 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.827 -1.652 8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.490 -3.343 8.025 1.00 0.00 H new ATOM 0 HG LEU A 12 1.898 -1.090 6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.840 -1.969 4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.309 -1.384 6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.150 -3.131 6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.595 -2.912 4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.850 -4.105 5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.433 -3.030 5.808 1.00 0.00 H new ATOM 216 N ASN A 13 1.047 -1.217 10.593 1.00 0.00 N ATOM 217 CA ASN A 13 1.019 -1.050 12.066 1.00 0.00 C ATOM 218 C ASN A 13 2.224 -1.656 12.812 1.00 0.00 C ATOM 219 O ASN A 13 2.670 -1.105 13.820 1.00 0.00 O ATOM 220 CB ASN A 13 -0.316 -1.557 12.654 1.00 0.00 C ATOM 221 CG ASN A 13 -0.428 -1.342 14.148 1.00 0.00 C ATOM 222 OD1 ASN A 13 -0.056 -2.198 14.945 1.00 0.00 O ATOM 223 ND2 ASN A 13 -0.952 -0.219 14.539 1.00 0.00 N ATOM 0 H ASN A 13 1.255 -0.342 10.111 1.00 0.00 H new ATOM 0 HA ASN A 13 1.101 0.024 12.232 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.142 -1.047 12.157 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.421 -2.620 12.437 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.064 -0.028 15.535 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.251 0.471 13.850 1.00 0.00 H new ATOM 230 N ASN A 14 2.813 -2.688 12.246 1.00 0.00 N ATOM 231 CA ASN A 14 3.848 -3.528 12.904 1.00 0.00 C ATOM 232 C ASN A 14 5.228 -2.875 12.996 1.00 0.00 C ATOM 233 O ASN A 14 6.225 -3.535 13.275 1.00 0.00 O ATOM 234 CB ASN A 14 3.951 -4.904 12.222 1.00 0.00 C ATOM 235 CG ASN A 14 4.317 -4.834 10.747 1.00 0.00 C ATOM 236 OD1 ASN A 14 5.483 -4.801 10.383 1.00 0.00 O ATOM 237 ND2 ASN A 14 3.326 -4.840 9.885 1.00 0.00 N ATOM 0 H ASN A 14 2.596 -2.990 11.296 1.00 0.00 H new ATOM 0 HA ASN A 14 3.508 -3.650 13.932 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.698 -5.502 12.744 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.998 -5.422 12.326 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.521 -4.817 8.884 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.362 -4.868 10.217 1.00 0.00 H new ATOM 244 N GLY A 15 5.269 -1.598 12.835 1.00 0.00 N ATOM 245 CA GLY A 15 6.529 -0.870 12.971 1.00 0.00 C ATOM 246 C GLY A 15 7.118 -0.481 11.651 1.00 0.00 C ATOM 247 O GLY A 15 8.188 0.111 11.585 1.00 0.00 O ATOM 0 H GLY A 15 4.461 -1.018 12.610 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.363 0.027 13.568 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.244 -1.488 13.515 1.00 0.00 H new ATOM 251 N LYS A 16 6.441 -0.840 10.610 1.00 0.00 N ATOM 252 CA LYS A 16 6.792 -0.421 9.293 1.00 0.00 C ATOM 253 C LYS A 16 5.529 -0.068 8.579 1.00 0.00 C ATOM 254 O LYS A 16 4.482 -0.671 8.838 1.00 0.00 O ATOM 255 CB LYS A 16 7.614 -1.473 8.511 1.00 0.00 C ATOM 256 CG LYS A 16 6.973 -2.849 8.364 1.00 0.00 C ATOM 257 CD LYS A 16 7.833 -3.751 7.483 1.00 0.00 C ATOM 258 CE LYS A 16 7.322 -5.187 7.437 1.00 0.00 C ATOM 259 NZ LYS A 16 7.396 -5.850 8.760 1.00 0.00 N ATOM 0 H LYS A 16 5.618 -1.441 10.651 1.00 0.00 H new ATOM 0 HA LYS A 16 7.450 0.445 9.363 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.816 -1.080 7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.577 -1.594 9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.847 -3.304 9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.978 -2.748 7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.859 -3.346 6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.858 -3.746 7.855 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.290 -5.192 7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.907 -5.756 6.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.439 -6.881 8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.248 -5.529 9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.553 -5.606 9.318 1.00 0.00 H new ATOM 273 N TYR A 17 5.597 0.930 7.767 1.00 0.00 N ATOM 274 CA TYR A 17 4.473 1.412 6.998 1.00 0.00 C ATOM 275 C TYR A 17 4.918 1.592 5.585 1.00 0.00 C ATOM 276 O TYR A 17 6.061 1.917 5.353 1.00 0.00 O ATOM 277 CB TYR A 17 3.949 2.751 7.562 1.00 0.00 C ATOM 278 CG TYR A 17 3.058 2.637 8.791 1.00 0.00 C ATOM 279 CD1 TYR A 17 3.524 2.121 9.992 1.00 0.00 C ATOM 280 CD2 TYR A 17 1.732 3.038 8.731 1.00 0.00 C ATOM 281 CE1 TYR A 17 2.700 2.012 11.089 1.00 0.00 C ATOM 282 CE2 TYR A 17 0.905 2.933 9.822 1.00 0.00 C ATOM 283 CZ TYR A 17 1.392 2.416 10.996 1.00 0.00 C ATOM 284 OH TYR A 17 0.563 2.296 12.082 1.00 0.00 O ATOM 0 H TYR A 17 6.455 1.457 7.606 1.00 0.00 H new ATOM 0 HA TYR A 17 3.659 0.689 7.053 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.803 3.380 7.811 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.393 3.264 6.777 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.552 1.799 10.067 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.342 3.441 7.808 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.080 1.611 12.017 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.124 3.256 9.756 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.370 2.295 11.783 1.00 0.00 H new ATOM 294 N VAL A 18 4.053 1.383 4.652 1.00 0.00 N ATOM 295 CA VAL A 18 4.431 1.544 3.275 1.00 0.00 C ATOM 296 C VAL A 18 3.951 2.883 2.765 1.00 0.00 C ATOM 297 O VAL A 18 2.799 3.282 3.014 1.00 0.00 O ATOM 298 CB VAL A 18 3.962 0.354 2.367 1.00 0.00 C ATOM 299 CG1 VAL A 18 2.496 0.068 2.531 1.00 0.00 C ATOM 300 CG2 VAL A 18 4.287 0.610 0.903 1.00 0.00 C ATOM 0 H VAL A 18 3.085 1.102 4.807 1.00 0.00 H new ATOM 0 HA VAL A 18 5.520 1.525 3.223 1.00 0.00 H new ATOM 0 HB VAL A 18 4.515 -0.526 2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.213 -0.763 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.290 -0.193 3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.920 0.952 2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.949 -0.234 0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.782 1.517 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.364 0.731 0.785 1.00 0.00 H new ATOM 310 N LYS A 19 4.854 3.589 2.124 1.00 0.00 N ATOM 311 CA LYS A 19 4.593 4.892 1.600 1.00 0.00 C ATOM 312 C LYS A 19 3.922 4.713 0.261 1.00 0.00 C ATOM 313 O LYS A 19 4.537 4.231 -0.693 1.00 0.00 O ATOM 314 CB LYS A 19 5.910 5.641 1.420 1.00 0.00 C ATOM 315 CG LYS A 19 5.759 7.140 1.257 1.00 0.00 C ATOM 316 CD LYS A 19 7.076 7.775 0.865 1.00 0.00 C ATOM 317 CE LYS A 19 7.035 9.281 1.030 1.00 0.00 C ATOM 318 NZ LYS A 19 7.078 9.685 2.465 1.00 0.00 N ATOM 0 H LYS A 19 5.804 3.260 1.954 1.00 0.00 H new ATOM 0 HA LYS A 19 3.957 5.463 2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.547 5.444 2.282 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.424 5.242 0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.007 7.354 0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.403 7.577 2.190 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.877 7.362 1.478 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.307 7.527 -0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.878 9.727 0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.128 9.672 0.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.929 10.711 2.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.330 9.187 2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.005 9.439 2.867 1.00 0.00 H new ATOM 332 N VAL A 20 2.691 5.076 0.184 1.00 0.00 N ATOM 333 CA VAL A 20 1.945 4.851 -1.000 1.00 0.00 C ATOM 334 C VAL A 20 1.509 6.168 -1.629 1.00 0.00 C ATOM 335 O VAL A 20 1.003 7.085 -0.956 1.00 0.00 O ATOM 336 CB VAL A 20 0.728 3.909 -0.734 1.00 0.00 C ATOM 337 CG1 VAL A 20 -0.237 4.508 0.271 1.00 0.00 C ATOM 338 CG2 VAL A 20 0.009 3.526 -2.026 1.00 0.00 C ATOM 0 H VAL A 20 2.176 5.535 0.936 1.00 0.00 H new ATOM 0 HA VAL A 20 2.595 4.345 -1.714 1.00 0.00 H new ATOM 0 HB VAL A 20 1.130 2.993 -0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.070 3.823 0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.279 4.675 1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.615 5.457 -0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.831 2.870 -1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.359 4.426 -2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.702 3.008 -2.688 1.00 0.00 H new ATOM 348 N ARG A 21 1.773 6.284 -2.892 1.00 0.00 N ATOM 349 CA ARG A 21 1.333 7.397 -3.652 1.00 0.00 C ATOM 350 C ARG A 21 0.006 7.037 -4.267 1.00 0.00 C ATOM 351 O ARG A 21 -0.094 6.084 -5.048 1.00 0.00 O ATOM 352 CB ARG A 21 2.345 7.765 -4.742 1.00 0.00 C ATOM 353 CG ARG A 21 1.892 8.916 -5.634 1.00 0.00 C ATOM 354 CD ARG A 21 2.967 9.312 -6.630 1.00 0.00 C ATOM 355 NE ARG A 21 3.363 8.220 -7.526 1.00 0.00 N ATOM 356 CZ ARG A 21 4.634 7.951 -7.896 1.00 0.00 C ATOM 357 NH1 ARG A 21 5.667 8.608 -7.336 1.00 0.00 N ATOM 358 NH2 ARG A 21 4.866 7.014 -8.807 1.00 0.00 N ATOM 0 H ARG A 21 2.307 5.597 -3.425 1.00 0.00 H new ATOM 0 HA ARG A 21 1.233 8.268 -3.004 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.291 8.032 -4.272 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.533 6.888 -5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.988 8.627 -6.170 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.634 9.776 -5.016 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.607 10.150 -7.227 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.844 9.662 -6.086 1.00 0.00 H new ATOM 0 HE ARG A 21 2.625 7.621 -7.896 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.494 9.318 -6.624 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.622 8.396 -7.624 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.087 6.503 -9.223 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.823 6.805 -9.092 1.00 0.00 H new ATOM 372 N ILE A 22 -0.995 7.748 -3.878 1.00 0.00 N ATOM 373 CA ILE A 22 -2.323 7.534 -4.364 1.00 0.00 C ATOM 374 C ILE A 22 -2.450 8.355 -5.610 1.00 0.00 C ATOM 375 O ILE A 22 -2.365 9.572 -5.536 1.00 0.00 O ATOM 376 CB ILE A 22 -3.395 8.050 -3.353 1.00 0.00 C ATOM 377 CG1 ILE A 22 -3.064 7.641 -1.907 1.00 0.00 C ATOM 378 CG2 ILE A 22 -4.788 7.564 -3.748 1.00 0.00 C ATOM 379 CD1 ILE A 22 -2.928 6.161 -1.686 1.00 0.00 C ATOM 0 H ILE A 22 -0.917 8.508 -3.202 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.486 6.468 -4.525 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.383 9.139 -3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.133 8.125 -1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.845 8.022 -1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.520 7.935 -3.030 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.035 7.936 -4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.805 6.474 -3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.695 5.969 -0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.864 5.667 -1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.126 5.772 -2.313 1.00 0.00 H new ATOM 391 N LEU A 23 -2.571 7.721 -6.739 1.00 0.00 N ATOM 392 CA LEU A 23 -2.753 8.439 -7.969 1.00 0.00 C ATOM 393 C LEU A 23 -4.208 8.792 -8.035 1.00 0.00 C ATOM 394 O LEU A 23 -5.045 7.915 -8.215 1.00 0.00 O ATOM 395 CB LEU A 23 -2.381 7.557 -9.165 1.00 0.00 C ATOM 396 CG LEU A 23 -0.977 6.947 -9.150 1.00 0.00 C ATOM 397 CD1 LEU A 23 -0.790 6.030 -10.347 1.00 0.00 C ATOM 398 CD2 LEU A 23 0.086 8.035 -9.133 1.00 0.00 C ATOM 0 H LEU A 23 -2.547 6.706 -6.835 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.119 9.325 -8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.106 6.745 -9.229 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.486 8.151 -10.073 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.867 6.357 -8.240 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.212 5.603 -10.325 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.527 5.228 -10.310 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.921 6.601 -11.266 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.075 7.577 -9.123 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.016 8.658 -10.022 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.038 8.651 -8.242 1.00 0.00 H new ATOM 410 N LYS A 24 -4.507 10.045 -7.882 1.00 0.00 N ATOM 411 CA LYS A 24 -5.875 10.484 -7.796 1.00 0.00 C ATOM 412 C LYS A 24 -6.221 11.337 -8.992 1.00 0.00 C ATOM 413 O LYS A 24 -5.756 12.472 -9.118 1.00 0.00 O ATOM 414 CB LYS A 24 -6.063 11.272 -6.494 1.00 0.00 C ATOM 415 CG LYS A 24 -7.485 11.708 -6.184 1.00 0.00 C ATOM 416 CD LYS A 24 -7.526 12.447 -4.852 1.00 0.00 C ATOM 417 CE LYS A 24 -8.945 12.788 -4.422 1.00 0.00 C ATOM 418 NZ LYS A 24 -9.788 11.584 -4.294 1.00 0.00 N ATOM 0 H LYS A 24 -3.817 10.793 -7.813 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.542 9.622 -7.792 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.702 10.661 -5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.432 12.160 -6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.857 12.354 -6.979 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.141 10.838 -6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.054 11.834 -4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.943 13.364 -4.930 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.918 13.315 -3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.391 13.467 -5.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.652 11.820 -3.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.045 11.238 -5.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.262 10.844 -3.786 1.00 0.00 H new ATOM 432 N SER A 25 -6.998 10.795 -9.878 1.00 0.00 N ATOM 433 CA SER A 25 -7.410 11.512 -11.048 1.00 0.00 C ATOM 434 C SER A 25 -8.860 11.985 -10.892 1.00 0.00 C ATOM 435 O SER A 25 -9.806 11.189 -11.044 1.00 0.00 O ATOM 436 CB SER A 25 -7.270 10.617 -12.282 1.00 0.00 C ATOM 437 OG SER A 25 -5.976 10.020 -12.342 1.00 0.00 O ATOM 0 H SER A 25 -7.365 9.845 -9.812 1.00 0.00 H new ATOM 0 HA SER A 25 -6.772 12.387 -11.174 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.032 9.838 -12.258 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.444 11.205 -13.183 1.00 0.00 H new ATOM 0 HG SER A 25 -5.914 9.452 -13.138 1.00 0.00 H new ATOM 443 N ARG A 26 -9.035 13.251 -10.531 1.00 0.00 N ATOM 444 CA ARG A 26 -10.376 13.829 -10.418 1.00 0.00 C ATOM 445 C ARG A 26 -10.824 14.315 -11.785 1.00 0.00 C ATOM 446 O ARG A 26 -12.017 14.478 -12.047 1.00 0.00 O ATOM 447 CB ARG A 26 -10.439 14.977 -9.406 1.00 0.00 C ATOM 448 CG ARG A 26 -10.022 14.606 -7.991 1.00 0.00 C ATOM 449 CD ARG A 26 -10.344 15.725 -7.002 1.00 0.00 C ATOM 450 NE ARG A 26 -9.760 17.017 -7.389 1.00 0.00 N ATOM 451 CZ ARG A 26 -9.863 18.152 -6.682 1.00 0.00 C ATOM 452 NH1 ARG A 26 -10.432 18.153 -5.471 1.00 0.00 N ATOM 453 NH2 ARG A 26 -9.383 19.278 -7.188 1.00 0.00 N ATOM 0 H ARG A 26 -8.275 13.895 -10.312 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.045 13.050 -10.052 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.800 15.787 -9.757 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.458 15.363 -9.380 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.533 13.692 -7.688 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.953 14.396 -7.969 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.426 15.831 -6.921 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.976 15.447 -6.014 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.236 17.053 -8.263 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.793 17.284 -5.076 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.505 19.022 -4.942 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.940 19.276 -8.107 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.456 20.147 -6.659 1.00 0.00 H new ATOM 467 N ASP A 27 -9.833 14.539 -12.645 1.00 0.00 N ATOM 468 CA ASP A 27 -10.025 14.956 -14.037 1.00 0.00 C ATOM 469 C ASP A 27 -10.934 13.981 -14.758 1.00 0.00 C ATOM 470 O ASP A 27 -11.817 14.378 -15.527 1.00 0.00 O ATOM 471 CB ASP A 27 -8.665 15.015 -14.748 1.00 0.00 C ATOM 472 CG ASP A 27 -8.776 15.349 -16.215 1.00 0.00 C ATOM 473 OD1 ASP A 27 -8.873 16.531 -16.566 1.00 0.00 O ATOM 474 OD2 ASP A 27 -8.755 14.423 -17.052 1.00 0.00 O ATOM 0 H ASP A 27 -8.851 14.434 -12.390 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.487 15.943 -14.049 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.038 15.761 -14.259 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.162 14.054 -14.638 1.00 0.00 H new ATOM 479 N ASP A 28 -10.723 12.707 -14.492 1.00 0.00 N ATOM 480 CA ASP A 28 -11.550 11.661 -15.066 1.00 0.00 C ATOM 481 C ASP A 28 -12.852 11.598 -14.280 1.00 0.00 C ATOM 482 O ASP A 28 -13.916 11.847 -14.826 1.00 0.00 O ATOM 483 CB ASP A 28 -10.820 10.315 -15.023 1.00 0.00 C ATOM 484 CG ASP A 28 -11.571 9.228 -15.756 1.00 0.00 C ATOM 485 OD1 ASP A 28 -11.520 9.192 -16.996 1.00 0.00 O ATOM 486 OD2 ASP A 28 -12.207 8.387 -15.119 1.00 0.00 O ATOM 0 H ASP A 28 -9.982 12.369 -13.878 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.762 11.883 -16.112 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.829 10.428 -15.463 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.676 10.016 -13.985 1.00 0.00 H new ATOM 491 N ASN A 29 -12.732 11.318 -12.980 1.00 0.00 N ATOM 492 CA ASN A 29 -13.851 11.359 -12.014 1.00 0.00 C ATOM 493 C ASN A 29 -13.337 10.998 -10.615 1.00 0.00 C ATOM 494 O ASN A 29 -13.115 11.866 -9.775 1.00 0.00 O ATOM 495 CB ASN A 29 -15.139 10.511 -12.439 1.00 0.00 C ATOM 496 CG ASN A 29 -15.011 8.973 -12.445 1.00 0.00 C ATOM 497 OD1 ASN A 29 -13.929 8.406 -12.612 1.00 0.00 O ATOM 498 ND2 ASN A 29 -16.114 8.293 -12.286 1.00 0.00 N ATOM 0 H ASN A 29 -11.844 11.051 -12.555 1.00 0.00 H new ATOM 0 HA ASN A 29 -14.221 12.384 -12.005 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -15.954 10.778 -11.766 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.435 10.828 -13.439 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -16.091 7.273 -12.299 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.999 8.781 -12.149 1.00 0.00 H new ATOM 505 N SER A 30 -13.074 9.747 -10.409 1.00 0.00 N ATOM 506 CA SER A 30 -12.569 9.231 -9.179 1.00 0.00 C ATOM 507 C SER A 30 -11.748 7.995 -9.453 1.00 0.00 C ATOM 508 O SER A 30 -12.226 6.877 -9.337 1.00 0.00 O ATOM 509 CB SER A 30 -13.698 8.916 -8.182 1.00 0.00 C ATOM 510 OG SER A 30 -14.353 10.098 -7.736 1.00 0.00 O ATOM 0 H SER A 30 -13.211 9.030 -11.121 1.00 0.00 H new ATOM 0 HA SER A 30 -11.941 9.996 -8.722 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.424 8.253 -8.653 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.288 8.382 -7.325 1.00 0.00 H new ATOM 0 HG SER A 30 -15.065 9.860 -7.106 1.00 0.00 H new ATOM 516 N VAL A 31 -10.568 8.197 -9.938 1.00 0.00 N ATOM 517 CA VAL A 31 -9.674 7.101 -10.158 1.00 0.00 C ATOM 518 C VAL A 31 -8.569 7.220 -9.172 1.00 0.00 C ATOM 519 O VAL A 31 -7.778 8.162 -9.252 1.00 0.00 O ATOM 520 CB VAL A 31 -9.072 7.091 -11.587 1.00 0.00 C ATOM 521 CG1 VAL A 31 -8.144 5.889 -11.779 1.00 0.00 C ATOM 522 CG2 VAL A 31 -10.169 7.096 -12.639 1.00 0.00 C ATOM 0 H VAL A 31 -10.196 9.112 -10.191 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.235 6.173 -10.043 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.482 7.999 -11.709 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.734 5.904 -12.789 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.330 5.939 -11.056 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.707 4.967 -11.629 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.720 7.089 -13.632 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.794 6.212 -12.517 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.780 7.991 -12.523 1.00 0.00 H new ATOM 532 N GLU A 32 -8.566 6.362 -8.198 1.00 0.00 N ATOM 533 CA GLU A 32 -7.502 6.336 -7.258 1.00 0.00 C ATOM 534 C GLU A 32 -6.753 5.040 -7.393 1.00 0.00 C ATOM 535 O GLU A 32 -7.230 3.962 -6.986 1.00 0.00 O ATOM 536 CB GLU A 32 -7.971 6.588 -5.825 1.00 0.00 C ATOM 537 CG GLU A 32 -8.697 7.916 -5.664 1.00 0.00 C ATOM 538 CD GLU A 32 -8.907 8.307 -4.232 1.00 0.00 C ATOM 539 OE1 GLU A 32 -9.569 7.572 -3.485 1.00 0.00 O ATOM 540 OE2 GLU A 32 -8.445 9.391 -3.837 1.00 0.00 O ATOM 0 H GLU A 32 -9.297 5.668 -8.038 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.825 7.160 -7.483 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.633 5.778 -5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.110 6.567 -5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.127 8.697 -6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.664 7.856 -6.163 1.00 0.00 H new ATOM 547 N LYS A 33 -5.641 5.125 -8.046 1.00 0.00 N ATOM 548 CA LYS A 33 -4.781 4.005 -8.236 1.00 0.00 C ATOM 549 C LYS A 33 -3.648 4.073 -7.276 1.00 0.00 C ATOM 550 O LYS A 33 -2.978 5.085 -7.163 1.00 0.00 O ATOM 551 CB LYS A 33 -4.266 3.881 -9.682 1.00 0.00 C ATOM 552 CG LYS A 33 -5.220 3.182 -10.648 1.00 0.00 C ATOM 553 CD LYS A 33 -5.533 1.780 -10.147 1.00 0.00 C ATOM 554 CE LYS A 33 -6.250 0.928 -11.178 1.00 0.00 C ATOM 555 NZ LYS A 33 -6.564 -0.418 -10.643 1.00 0.00 N ATOM 0 H LYS A 33 -5.300 5.988 -8.469 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.370 3.108 -8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.054 4.880 -10.063 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.321 3.337 -9.670 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.141 3.757 -10.743 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.773 3.131 -11.641 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.604 1.287 -9.859 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.148 1.850 -9.250 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.171 1.423 -11.485 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.629 0.832 -12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.054 -0.976 -11.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.682 -0.899 -10.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.177 -0.325 -9.808 1.00 0.00 H new ATOM 569 N TYR A 34 -3.458 3.026 -6.571 1.00 0.00 N ATOM 570 CA TYR A 34 -2.403 2.954 -5.623 1.00 0.00 C ATOM 571 C TYR A 34 -1.133 2.579 -6.367 1.00 0.00 C ATOM 572 O TYR A 34 -1.180 1.795 -7.320 1.00 0.00 O ATOM 573 CB TYR A 34 -2.773 1.968 -4.514 1.00 0.00 C ATOM 574 CG TYR A 34 -4.081 2.346 -3.808 1.00 0.00 C ATOM 575 CD1 TYR A 34 -4.077 3.197 -2.725 1.00 0.00 C ATOM 576 CD2 TYR A 34 -5.316 1.867 -4.254 1.00 0.00 C ATOM 577 CE1 TYR A 34 -5.252 3.571 -2.094 1.00 0.00 C ATOM 578 CE2 TYR A 34 -6.496 2.233 -3.626 1.00 0.00 C ATOM 579 CZ TYR A 34 -6.454 3.086 -2.548 1.00 0.00 C ATOM 580 OH TYR A 34 -7.621 3.463 -1.921 1.00 0.00 O ATOM 0 H TYR A 34 -4.031 2.185 -6.631 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.234 3.912 -5.131 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.868 0.968 -4.937 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.966 1.929 -3.782 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.136 3.581 -2.359 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.351 1.200 -5.103 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.223 4.242 -1.248 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.442 1.851 -3.981 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.383 3.034 -2.363 1.00 0.00 H new ATOM 590 N VAL A 35 -0.044 3.193 -5.994 1.00 0.00 N ATOM 591 CA VAL A 35 1.212 3.034 -6.694 1.00 0.00 C ATOM 592 C VAL A 35 1.785 1.601 -6.571 1.00 0.00 C ATOM 593 O VAL A 35 1.577 0.908 -5.583 1.00 0.00 O ATOM 594 CB VAL A 35 2.253 4.090 -6.216 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.719 3.814 -4.803 1.00 0.00 C ATOM 596 CG2 VAL A 35 3.427 4.224 -7.179 1.00 0.00 C ATOM 0 H VAL A 35 0.003 3.822 -5.192 1.00 0.00 H new ATOM 0 HA VAL A 35 1.005 3.201 -7.751 1.00 0.00 H new ATOM 0 HB VAL A 35 1.742 5.053 -6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.444 4.571 -4.505 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.865 3.843 -4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.184 2.829 -4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.124 4.972 -6.801 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.937 3.265 -7.267 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.061 4.532 -8.159 1.00 0.00 H new ATOM 606 N LEU A 36 2.507 1.200 -7.598 1.00 0.00 N ATOM 607 CA LEU A 36 3.152 -0.108 -7.683 1.00 0.00 C ATOM 608 C LEU A 36 4.428 -0.202 -6.856 1.00 0.00 C ATOM 609 O LEU A 36 5.039 -1.270 -6.776 1.00 0.00 O ATOM 610 CB LEU A 36 3.427 -0.497 -9.142 1.00 0.00 C ATOM 611 CG LEU A 36 2.375 -1.380 -9.837 1.00 0.00 C ATOM 612 CD1 LEU A 36 0.981 -0.789 -9.745 1.00 0.00 C ATOM 613 CD2 LEU A 36 2.760 -1.613 -11.289 1.00 0.00 C ATOM 0 H LEU A 36 2.669 1.783 -8.419 1.00 0.00 H new ATOM 0 HA LEU A 36 2.446 -0.820 -7.254 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.538 0.419 -9.722 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.385 -1.016 -9.180 1.00 0.00 H new ATOM 0 HG LEU A 36 2.354 -2.336 -9.314 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.273 -1.447 -10.249 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.698 -0.686 -8.697 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.969 0.191 -10.222 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.008 -2.239 -11.769 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.820 -0.656 -11.807 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.728 -2.111 -11.333 1.00 0.00 H new ATOM 625 N THR A 37 4.848 0.885 -6.259 1.00 0.00 N ATOM 626 CA THR A 37 6.029 0.824 -5.462 1.00 0.00 C ATOM 627 C THR A 37 5.598 0.492 -4.037 1.00 0.00 C ATOM 628 O THR A 37 4.483 0.814 -3.628 1.00 0.00 O ATOM 629 CB THR A 37 6.881 2.142 -5.534 1.00 0.00 C ATOM 630 OG1 THR A 37 8.153 1.938 -4.926 1.00 0.00 O ATOM 631 CG2 THR A 37 6.200 3.311 -4.837 1.00 0.00 C ATOM 0 H THR A 37 4.397 1.798 -6.312 1.00 0.00 H new ATOM 0 HA THR A 37 6.692 0.049 -5.847 1.00 0.00 H new ATOM 0 HB THR A 37 6.991 2.385 -6.591 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.728 2.712 -5.102 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.829 4.198 -4.915 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.238 3.506 -5.310 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.045 3.068 -3.786 1.00 0.00 H new ATOM 639 N SER A 38 6.434 -0.181 -3.320 1.00 0.00 N ATOM 640 CA SER A 38 6.078 -0.679 -2.029 1.00 0.00 C ATOM 641 C SER A 38 7.114 -0.296 -0.972 1.00 0.00 C ATOM 642 O SER A 38 7.272 -0.996 0.025 1.00 0.00 O ATOM 643 CB SER A 38 5.895 -2.186 -2.134 1.00 0.00 C ATOM 644 OG SER A 38 4.955 -2.504 -3.171 1.00 0.00 O ATOM 0 H SER A 38 7.386 -0.403 -3.611 1.00 0.00 H new ATOM 0 HA SER A 38 5.142 -0.225 -1.703 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.853 -2.661 -2.344 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.544 -2.584 -1.182 1.00 0.00 H new ATOM 0 HG SER A 38 4.848 -3.476 -3.229 1.00 0.00 H new ATOM 650 N HIS A 39 7.824 0.808 -1.211 1.00 0.00 N ATOM 651 CA HIS A 39 8.838 1.304 -0.259 1.00 0.00 C ATOM 652 C HIS A 39 8.271 1.496 1.152 1.00 0.00 C ATOM 653 O HIS A 39 7.348 2.291 1.375 1.00 0.00 O ATOM 654 CB HIS A 39 9.513 2.596 -0.742 1.00 0.00 C ATOM 655 CG HIS A 39 10.594 2.393 -1.764 1.00 0.00 C ATOM 656 ND1 HIS A 39 10.530 2.149 -3.088 1.00 0.00 N flip ATOM 657 CD2 HIS A 39 11.939 2.450 -1.461 1.00 0.00 C flip ATOM 658 CE1 HIS A 39 11.815 2.067 -3.552 1.00 0.00 C flip ATOM 659 NE2 HIS A 39 12.643 2.253 -2.551 1.00 0.00 N flip ATOM 0 H HIS A 39 7.721 1.379 -2.050 1.00 0.00 H new ATOM 0 HA HIS A 39 9.600 0.526 -0.211 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.752 3.252 -1.163 1.00 0.00 H new ATOM 0 HB3 HIS A 39 9.938 3.112 0.119 1.00 0.00 H new ATOM 0 HD1 HIS A 39 9.680 2.045 -3.642 1.00 0.00 H new ATOM 0 HD2 HIS A 39 12.349 2.629 -0.478 1.00 0.00 H new ATOM 0 HE1 HIS A 39 12.101 1.880 -4.576 1.00 0.00 H new ATOM 668 N VAL A 40 8.834 0.766 2.085 1.00 0.00 N ATOM 669 CA VAL A 40 8.398 0.786 3.460 1.00 0.00 C ATOM 670 C VAL A 40 9.291 1.619 4.351 1.00 0.00 C ATOM 671 O VAL A 40 10.523 1.490 4.343 1.00 0.00 O ATOM 672 CB VAL A 40 8.216 -0.634 4.071 1.00 0.00 C ATOM 673 CG1 VAL A 40 6.943 -1.259 3.570 1.00 0.00 C ATOM 674 CG2 VAL A 40 9.394 -1.539 3.729 1.00 0.00 C ATOM 0 H VAL A 40 9.616 0.135 1.909 1.00 0.00 H new ATOM 0 HA VAL A 40 7.417 1.260 3.424 1.00 0.00 H new ATOM 0 HB VAL A 40 8.167 -0.523 5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.829 -2.252 4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.095 -0.637 3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.981 -1.342 2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.237 -2.523 4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.476 -1.635 2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.312 -1.106 4.126 1.00 0.00 H new ATOM 684 N SER A 41 8.666 2.453 5.103 1.00 0.00 N ATOM 685 CA SER A 41 9.299 3.280 6.060 1.00 0.00 C ATOM 686 C SER A 41 9.337 2.508 7.376 1.00 0.00 C ATOM 687 O SER A 41 8.363 1.838 7.737 1.00 0.00 O ATOM 688 CB SER A 41 8.477 4.554 6.203 1.00 0.00 C ATOM 689 OG SER A 41 8.250 5.128 4.920 1.00 0.00 O ATOM 0 H SER A 41 7.655 2.581 5.064 1.00 0.00 H new ATOM 0 HA SER A 41 10.314 3.548 5.765 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.525 4.331 6.685 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.000 5.265 6.842 1.00 0.00 H new ATOM 0 HG SER A 41 7.862 6.022 5.025 1.00 0.00 H new ATOM 695 N LYS A 42 10.440 2.598 8.072 1.00 0.00 N ATOM 696 CA LYS A 42 10.654 1.856 9.316 1.00 0.00 C ATOM 697 C LYS A 42 10.117 2.668 10.513 1.00 0.00 C ATOM 698 O LYS A 42 10.419 2.393 11.675 1.00 0.00 O ATOM 699 CB LYS A 42 12.169 1.597 9.465 1.00 0.00 C ATOM 700 CG LYS A 42 12.562 0.620 10.567 1.00 0.00 C ATOM 701 CD LYS A 42 14.063 0.402 10.593 1.00 0.00 C ATOM 702 CE LYS A 42 14.472 -0.562 11.700 1.00 0.00 C ATOM 703 NZ LYS A 42 13.808 -1.882 11.571 1.00 0.00 N ATOM 0 H LYS A 42 11.227 3.187 7.802 1.00 0.00 H new ATOM 0 HA LYS A 42 10.120 0.906 9.291 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.551 1.220 8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.666 2.549 9.653 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.230 1.003 11.532 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.056 -0.332 10.411 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.391 0.011 9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.567 1.357 10.737 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.553 -0.698 11.679 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.224 -0.126 12.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.262 -2.563 12.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.802 -1.790 11.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.894 -2.220 10.591 1.00 0.00 H new ATOM 717 N ASN A 43 9.309 3.644 10.224 1.00 0.00 N ATOM 718 CA ASN A 43 8.857 4.560 11.229 1.00 0.00 C ATOM 719 C ASN A 43 7.347 4.591 11.243 1.00 0.00 C ATOM 720 O ASN A 43 6.707 4.441 10.195 1.00 0.00 O ATOM 721 CB ASN A 43 9.411 5.974 10.937 1.00 0.00 C ATOM 722 CG ASN A 43 10.905 5.963 10.612 1.00 0.00 C ATOM 723 OD1 ASN A 43 11.297 5.880 9.444 1.00 0.00 O ATOM 724 ND2 ASN A 43 11.740 6.012 11.612 1.00 0.00 N ATOM 0 H ASN A 43 8.946 3.828 9.289 1.00 0.00 H new ATOM 0 HA ASN A 43 9.218 4.233 12.204 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.864 6.409 10.101 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.235 6.615 11.801 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.745 5.982 11.439 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.388 6.080 12.567 1.00 0.00 H new ATOM 731 N ARG A 44 6.781 4.745 12.417 1.00 0.00 N ATOM 732 CA ARG A 44 5.347 4.858 12.573 1.00 0.00 C ATOM 733 C ARG A 44 4.929 6.326 12.456 1.00 0.00 C ATOM 734 O ARG A 44 5.339 7.150 13.279 1.00 0.00 O ATOM 735 CB ARG A 44 4.905 4.289 13.933 1.00 0.00 C ATOM 736 CG ARG A 44 4.981 2.772 14.047 1.00 0.00 C ATOM 737 CD ARG A 44 4.650 2.313 15.460 1.00 0.00 C ATOM 738 NE ARG A 44 4.454 0.847 15.564 1.00 0.00 N ATOM 739 CZ ARG A 44 5.240 0.014 16.266 1.00 0.00 C ATOM 740 NH1 ARG A 44 6.437 0.414 16.677 1.00 0.00 N ATOM 741 NH2 ARG A 44 4.846 -1.232 16.493 1.00 0.00 N ATOM 0 H ARG A 44 7.301 4.796 13.293 1.00 0.00 H new ATOM 0 HA ARG A 44 4.862 4.282 11.785 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.525 4.729 14.714 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.879 4.603 14.126 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.287 2.316 13.341 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.981 2.433 13.776 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.454 2.615 16.131 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.746 2.819 15.798 1.00 0.00 H new ATOM 0 HE ARG A 44 3.663 0.440 15.065 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.762 1.356 16.460 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.032 -0.221 17.210 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.948 -1.556 16.135 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.441 -1.866 17.026 1.00 0.00 H new ATOM 755 N PRO A 45 4.146 6.685 11.418 1.00 0.00 N ATOM 756 CA PRO A 45 3.665 8.055 11.231 1.00 0.00 C ATOM 757 C PRO A 45 2.791 8.505 12.395 1.00 0.00 C ATOM 758 O PRO A 45 1.824 7.820 12.777 1.00 0.00 O ATOM 759 CB PRO A 45 2.826 7.981 9.951 1.00 0.00 C ATOM 760 CG PRO A 45 3.308 6.764 9.255 1.00 0.00 C ATOM 761 CD PRO A 45 3.698 5.804 10.336 1.00 0.00 C ATOM 0 HA PRO A 45 4.487 8.769 11.173 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.762 7.912 10.178 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.964 8.870 9.335 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.529 6.342 8.620 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.156 6.992 8.610 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.858 5.182 10.645 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.491 5.131 10.010 1.00 0.00 H new ATOM 769 N LYS A 46 3.124 9.639 12.944 1.00 0.00 N ATOM 770 CA LYS A 46 2.409 10.182 14.071 1.00 0.00 C ATOM 771 C LYS A 46 1.206 10.959 13.579 1.00 0.00 C ATOM 772 O LYS A 46 0.107 10.840 14.123 1.00 0.00 O ATOM 773 CB LYS A 46 3.337 11.078 14.892 1.00 0.00 C ATOM 774 CG LYS A 46 4.587 10.361 15.394 1.00 0.00 C ATOM 775 CD LYS A 46 5.497 11.272 16.206 1.00 0.00 C ATOM 776 CE LYS A 46 4.825 11.743 17.484 1.00 0.00 C ATOM 777 NZ LYS A 46 5.714 12.594 18.289 1.00 0.00 N ATOM 0 H LYS A 46 3.901 10.217 12.624 1.00 0.00 H new ATOM 0 HA LYS A 46 2.062 9.371 14.711 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.637 11.932 14.284 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.786 11.473 15.746 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.292 9.509 16.006 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.141 9.965 14.543 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.417 10.742 16.453 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.779 12.136 15.604 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.920 12.297 17.235 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.518 10.879 18.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.218 12.895 19.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.567 12.058 18.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.986 13.432 17.737 1.00 0.00 H new ATOM 791 N ASN A 47 1.413 11.727 12.537 1.00 0.00 N ATOM 792 CA ASN A 47 0.353 12.507 11.934 1.00 0.00 C ATOM 793 C ASN A 47 0.469 12.420 10.424 1.00 0.00 C ATOM 794 O ASN A 47 1.282 13.116 9.806 1.00 0.00 O ATOM 795 CB ASN A 47 0.392 13.979 12.428 1.00 0.00 C ATOM 796 CG ASN A 47 -0.742 14.875 11.890 1.00 0.00 C ATOM 797 OD1 ASN A 47 -1.217 14.731 10.764 1.00 0.00 O ATOM 798 ND2 ASN A 47 -1.181 15.804 12.694 1.00 0.00 N ATOM 0 H ASN A 47 2.320 11.831 12.081 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.612 12.100 12.236 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.352 13.982 13.517 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.348 14.417 12.143 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.931 16.427 12.393 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.774 15.908 13.624 1.00 0.00 H new ATOM 805 N ALA A 48 -0.277 11.506 9.858 1.00 0.00 N ATOM 806 CA ALA A 48 -0.329 11.282 8.435 1.00 0.00 C ATOM 807 C ALA A 48 -1.564 10.475 8.151 1.00 0.00 C ATOM 808 O ALA A 48 -2.120 9.850 9.071 1.00 0.00 O ATOM 809 CB ALA A 48 0.909 10.527 7.953 1.00 0.00 C ATOM 0 H ALA A 48 -0.882 10.879 10.389 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.355 12.236 7.909 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.844 10.371 6.876 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.802 11.108 8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.965 9.562 8.456 1.00 0.00 H new ATOM 815 N ILE A 49 -2.003 10.468 6.925 1.00 0.00 N ATOM 816 CA ILE A 49 -3.177 9.727 6.564 1.00 0.00 C ATOM 817 C ILE A 49 -2.779 8.297 6.319 1.00 0.00 C ATOM 818 O ILE A 49 -1.856 8.023 5.547 1.00 0.00 O ATOM 819 CB ILE A 49 -3.827 10.294 5.279 1.00 0.00 C ATOM 820 CG1 ILE A 49 -4.018 11.809 5.394 1.00 0.00 C ATOM 821 CG2 ILE A 49 -5.156 9.600 4.976 1.00 0.00 C ATOM 822 CD1 ILE A 49 -4.832 12.241 6.588 1.00 0.00 C ATOM 0 H ILE A 49 -1.562 10.970 6.154 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.902 9.801 7.375 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.152 10.095 4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.039 12.284 5.445 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.502 12.173 4.488 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.587 10.021 4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.985 8.533 4.836 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.844 9.752 5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.919 13.327 6.595 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.826 11.797 6.531 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.340 11.911 7.503 1.00 0.00 H new ATOM 834 N VAL A 50 -3.411 7.401 7.012 1.00 0.00 N ATOM 835 CA VAL A 50 -3.133 6.010 6.840 1.00 0.00 C ATOM 836 C VAL A 50 -4.358 5.269 6.348 1.00 0.00 C ATOM 837 O VAL A 50 -5.492 5.580 6.743 1.00 0.00 O ATOM 838 CB VAL A 50 -2.560 5.340 8.126 1.00 0.00 C ATOM 839 CG1 VAL A 50 -1.234 5.976 8.498 1.00 0.00 C ATOM 840 CG2 VAL A 50 -3.537 5.434 9.294 1.00 0.00 C ATOM 0 H VAL A 50 -4.128 7.611 7.707 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.354 5.944 6.081 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.405 4.283 7.910 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.842 5.501 9.397 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.525 5.845 7.680 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.380 7.040 8.684 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.102 4.956 10.172 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.740 6.482 9.515 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.468 4.931 9.031 1.00 0.00 H new ATOM 850 N ILE A 51 -4.139 4.357 5.454 1.00 0.00 N ATOM 851 CA ILE A 51 -5.185 3.513 4.925 1.00 0.00 C ATOM 852 C ILE A 51 -4.909 2.112 5.437 1.00 0.00 C ATOM 853 O ILE A 51 -3.779 1.640 5.352 1.00 0.00 O ATOM 854 CB ILE A 51 -5.192 3.536 3.365 1.00 0.00 C ATOM 855 CG1 ILE A 51 -5.370 4.982 2.858 1.00 0.00 C ATOM 856 CG2 ILE A 51 -6.296 2.632 2.809 1.00 0.00 C ATOM 857 CD1 ILE A 51 -5.322 5.128 1.348 1.00 0.00 C ATOM 0 H ILE A 51 -3.217 4.168 5.060 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.165 3.866 5.247 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.235 3.154 3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.325 5.365 3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.591 5.606 3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.280 2.666 1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.130 1.608 3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.265 2.978 3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.455 6.176 1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.358 4.779 0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.118 4.534 0.900 1.00 0.00 H new ATOM 869 N LYS A 52 -5.892 1.475 6.000 1.00 0.00 N ATOM 870 CA LYS A 52 -5.690 0.182 6.617 1.00 0.00 C ATOM 871 C LYS A 52 -5.710 -0.937 5.565 1.00 0.00 C ATOM 872 O LYS A 52 -6.486 -0.875 4.611 1.00 0.00 O ATOM 873 CB LYS A 52 -6.721 -0.035 7.719 1.00 0.00 C ATOM 874 CG LYS A 52 -6.454 -1.245 8.596 1.00 0.00 C ATOM 875 CD LYS A 52 -7.478 -1.373 9.713 1.00 0.00 C ATOM 876 CE LYS A 52 -7.420 -0.201 10.694 1.00 0.00 C ATOM 877 NZ LYS A 52 -6.140 -0.146 11.440 1.00 0.00 N ATOM 0 H LYS A 52 -6.849 1.825 6.049 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.703 0.155 7.079 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.755 0.854 8.348 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.705 -0.141 7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.469 -2.147 7.984 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.455 -1.168 9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.477 -1.433 9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.308 -2.304 10.253 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.559 0.732 10.148 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.245 -0.282 11.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.190 0.602 12.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.968 -1.062 11.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.363 0.061 10.781 1.00 0.00 H new ATOM 891 N MET A 53 -4.880 -1.975 5.794 1.00 0.00 N ATOM 892 CA MET A 53 -4.607 -3.085 4.840 1.00 0.00 C ATOM 893 C MET A 53 -5.872 -3.717 4.262 1.00 0.00 C ATOM 894 O MET A 53 -5.932 -4.035 3.070 1.00 0.00 O ATOM 895 CB MET A 53 -3.733 -4.167 5.509 1.00 0.00 C ATOM 896 CG MET A 53 -2.362 -3.666 5.964 1.00 0.00 C ATOM 897 SD MET A 53 -1.348 -4.928 6.790 1.00 0.00 S ATOM 898 CE MET A 53 -1.103 -6.112 5.472 1.00 0.00 C ATOM 0 H MET A 53 -4.364 -2.073 6.669 1.00 0.00 H new ATOM 0 HA MET A 53 -4.071 -2.640 4.002 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.266 -4.568 6.371 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.593 -4.991 4.809 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.819 -3.289 5.097 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.501 -2.825 6.644 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.319 -6.815 5.755 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.031 -6.656 5.294 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.809 -5.588 4.562 1.00 0.00 H new ATOM 908 N ASP A 54 -6.873 -3.857 5.100 1.00 0.00 N ATOM 909 CA ASP A 54 -8.166 -4.467 4.737 1.00 0.00 C ATOM 910 C ASP A 54 -8.856 -3.704 3.587 1.00 0.00 C ATOM 911 O ASP A 54 -9.498 -4.301 2.727 1.00 0.00 O ATOM 912 CB ASP A 54 -9.083 -4.460 5.972 1.00 0.00 C ATOM 913 CG ASP A 54 -10.399 -5.195 5.795 1.00 0.00 C ATOM 914 OD1 ASP A 54 -11.286 -4.723 5.050 1.00 0.00 O ATOM 915 OD2 ASP A 54 -10.593 -6.235 6.461 1.00 0.00 O ATOM 0 H ASP A 54 -6.828 -3.551 6.072 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.980 -5.486 4.398 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.545 -4.905 6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.295 -3.426 6.243 1.00 0.00 H new ATOM 920 N ASN A 55 -8.659 -2.399 3.549 1.00 0.00 N ATOM 921 CA ASN A 55 -9.367 -1.524 2.606 1.00 0.00 C ATOM 922 C ASN A 55 -8.736 -1.549 1.200 1.00 0.00 C ATOM 923 O ASN A 55 -9.376 -1.169 0.208 1.00 0.00 O ATOM 924 CB ASN A 55 -9.393 -0.080 3.155 1.00 0.00 C ATOM 925 CG ASN A 55 -10.210 0.886 2.305 1.00 0.00 C ATOM 926 OD1 ASN A 55 -11.210 0.511 1.690 1.00 0.00 O ATOM 927 ND2 ASN A 55 -9.805 2.132 2.274 1.00 0.00 N ATOM 0 H ASN A 55 -8.009 -1.909 4.164 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.385 -1.899 2.507 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.800 -0.093 4.166 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.370 0.290 3.227 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.322 2.823 1.730 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.973 2.411 2.794 1.00 0.00 H new ATOM 934 N LEU A 56 -7.512 -2.028 1.104 1.00 0.00 N ATOM 935 CA LEU A 56 -6.808 -2.027 -0.176 1.00 0.00 C ATOM 936 C LEU A 56 -7.354 -3.086 -1.120 1.00 0.00 C ATOM 937 O LEU A 56 -7.789 -4.155 -0.677 1.00 0.00 O ATOM 938 CB LEU A 56 -5.274 -2.191 -0.023 1.00 0.00 C ATOM 939 CG LEU A 56 -4.474 -0.994 0.515 1.00 0.00 C ATOM 940 CD1 LEU A 56 -4.687 0.242 -0.341 1.00 0.00 C ATOM 941 CD2 LEU A 56 -4.814 -0.714 1.953 1.00 0.00 C ATOM 0 H LEU A 56 -6.984 -2.420 1.883 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.990 -1.044 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.092 -3.039 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.867 -2.454 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.418 -1.258 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.108 1.071 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.362 0.038 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.745 0.505 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.232 0.138 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.877 -0.488 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.580 -1.589 2.559 1.00 0.00 H new ATOM 953 N PRO A 57 -7.386 -2.789 -2.431 1.00 0.00 N ATOM 954 CA PRO A 57 -7.818 -3.749 -3.447 1.00 0.00 C ATOM 955 C PRO A 57 -6.868 -4.953 -3.508 1.00 0.00 C ATOM 956 O PRO A 57 -5.695 -4.850 -3.088 1.00 0.00 O ATOM 957 CB PRO A 57 -7.730 -2.960 -4.758 1.00 0.00 C ATOM 958 CG PRO A 57 -7.686 -1.532 -4.369 1.00 0.00 C ATOM 959 CD PRO A 57 -7.044 -1.484 -3.024 1.00 0.00 C ATOM 0 HA PRO A 57 -8.813 -4.145 -3.242 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.840 -3.239 -5.323 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.590 -3.165 -5.396 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.116 -0.949 -5.093 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.689 -1.107 -4.336 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.965 -1.348 -3.099 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.428 -0.658 -2.425 1.00 0.00 H new ATOM 967 N ILE A 58 -7.338 -6.067 -4.056 1.00 0.00 N ATOM 968 CA ILE A 58 -6.527 -7.279 -4.123 1.00 0.00 C ATOM 969 C ILE A 58 -5.275 -7.109 -4.965 1.00 0.00 C ATOM 970 O ILE A 58 -4.247 -7.719 -4.668 1.00 0.00 O ATOM 971 CB ILE A 58 -7.317 -8.606 -4.473 1.00 0.00 C ATOM 972 CG1 ILE A 58 -8.242 -8.494 -5.716 1.00 0.00 C ATOM 973 CG2 ILE A 58 -8.101 -9.104 -3.277 1.00 0.00 C ATOM 974 CD1 ILE A 58 -7.536 -8.420 -7.056 1.00 0.00 C ATOM 0 H ILE A 58 -8.271 -6.158 -4.459 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.203 -7.426 -3.093 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.549 -9.333 -4.736 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.912 -9.354 -5.726 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.864 -7.606 -5.604 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.634 -10.016 -3.545 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.417 -9.312 -2.454 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.818 -8.343 -2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.276 -8.344 -7.853 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.888 -7.544 -7.078 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.937 -9.319 -7.202 1.00 0.00 H new ATOM 986 N GLU A 59 -5.350 -6.235 -5.964 1.00 0.00 N ATOM 987 CA GLU A 59 -4.211 -5.949 -6.819 1.00 0.00 C ATOM 988 C GLU A 59 -3.106 -5.243 -6.018 1.00 0.00 C ATOM 989 O GLU A 59 -1.939 -5.617 -6.082 1.00 0.00 O ATOM 990 CB GLU A 59 -4.635 -5.110 -8.055 1.00 0.00 C ATOM 991 CG GLU A 59 -5.255 -3.752 -7.734 1.00 0.00 C ATOM 992 CD GLU A 59 -5.658 -2.973 -8.961 1.00 0.00 C ATOM 993 OE1 GLU A 59 -4.806 -2.267 -9.563 1.00 0.00 O ATOM 994 OE2 GLU A 59 -6.829 -3.049 -9.360 1.00 0.00 O ATOM 0 H GLU A 59 -6.194 -5.712 -6.199 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.813 -6.894 -7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.760 -4.953 -8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.349 -5.689 -8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.131 -3.901 -7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.543 -3.163 -7.156 1.00 0.00 H new ATOM 1001 N VAL A 60 -3.508 -4.275 -5.202 1.00 0.00 N ATOM 1002 CA VAL A 60 -2.575 -3.474 -4.428 1.00 0.00 C ATOM 1003 C VAL A 60 -1.993 -4.291 -3.295 1.00 0.00 C ATOM 1004 O VAL A 60 -0.787 -4.245 -3.037 1.00 0.00 O ATOM 1005 CB VAL A 60 -3.255 -2.207 -3.863 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -2.259 -1.341 -3.096 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -3.901 -1.416 -4.981 1.00 0.00 C ATOM 0 H VAL A 60 -4.487 -4.026 -5.061 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.773 -3.162 -5.097 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.030 -2.521 -3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.767 -0.457 -2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.844 -1.912 -2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.454 -1.035 -3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.377 -0.526 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.141 -1.120 -5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.652 -2.032 -5.476 1.00 0.00 H new ATOM 1017 N LYS A 61 -2.850 -5.066 -2.639 1.00 0.00 N ATOM 1018 CA LYS A 61 -2.413 -5.927 -1.554 1.00 0.00 C ATOM 1019 C LYS A 61 -1.389 -6.911 -2.035 1.00 0.00 C ATOM 1020 O LYS A 61 -0.416 -7.182 -1.348 1.00 0.00 O ATOM 1021 CB LYS A 61 -3.581 -6.648 -0.891 1.00 0.00 C ATOM 1022 CG LYS A 61 -4.472 -5.713 -0.117 1.00 0.00 C ATOM 1023 CD LYS A 61 -5.569 -6.442 0.655 1.00 0.00 C ATOM 1024 CE LYS A 61 -6.577 -7.100 -0.269 1.00 0.00 C ATOM 1025 NZ LYS A 61 -7.667 -7.748 0.479 1.00 0.00 N ATOM 0 H LYS A 61 -3.849 -5.113 -2.842 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.955 -5.287 -0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.170 -7.157 -1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.196 -7.416 -0.220 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.866 -5.136 0.581 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.930 -5.002 -0.805 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.118 -7.199 1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.083 -5.736 1.307 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.994 -6.352 -0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.072 -7.841 -0.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.334 -8.185 -0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.272 -8.480 1.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.166 -7.037 1.051 1.00 0.00 H new ATOM 1039 N ASP A 62 -1.595 -7.405 -3.227 1.00 0.00 N ATOM 1040 CA ASP A 62 -0.669 -8.340 -3.853 1.00 0.00 C ATOM 1041 C ASP A 62 0.699 -7.703 -4.077 1.00 0.00 C ATOM 1042 O ASP A 62 1.727 -8.304 -3.748 1.00 0.00 O ATOM 1043 CB ASP A 62 -1.235 -8.881 -5.160 1.00 0.00 C ATOM 1044 CG ASP A 62 -0.222 -9.672 -5.953 1.00 0.00 C ATOM 1045 OD1 ASP A 62 0.168 -10.782 -5.541 1.00 0.00 O ATOM 1046 OD2 ASP A 62 0.174 -9.213 -7.032 1.00 0.00 O ATOM 0 H ASP A 62 -2.407 -7.177 -3.800 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.538 -9.178 -3.168 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.095 -9.514 -4.944 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.596 -8.050 -5.766 1.00 0.00 H new ATOM 1051 N LYS A 63 0.702 -6.470 -4.591 1.00 0.00 N ATOM 1052 CA LYS A 63 1.937 -5.702 -4.820 1.00 0.00 C ATOM 1053 C LYS A 63 2.717 -5.591 -3.513 1.00 0.00 C ATOM 1054 O LYS A 63 3.897 -6.013 -3.421 1.00 0.00 O ATOM 1055 CB LYS A 63 1.607 -4.280 -5.311 1.00 0.00 C ATOM 1056 CG LYS A 63 0.797 -4.208 -6.593 1.00 0.00 C ATOM 1057 CD LYS A 63 1.576 -4.691 -7.801 1.00 0.00 C ATOM 1058 CE LYS A 63 0.717 -4.638 -9.048 1.00 0.00 C ATOM 1059 NZ LYS A 63 1.426 -5.146 -10.245 1.00 0.00 N ATOM 0 H LYS A 63 -0.147 -5.974 -4.861 1.00 0.00 H new ATOM 0 HA LYS A 63 2.528 -6.219 -5.576 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.059 -3.760 -4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.541 -3.739 -5.460 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.105 -4.809 -6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.477 -3.179 -6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.464 -4.073 -7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.920 -5.712 -7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.187 -5.226 -8.888 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.402 -3.610 -9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.797 -5.089 -11.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.275 -4.570 -10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.704 -6.136 -10.089 1.00 0.00 H new ATOM 1073 N LEU A 64 2.029 -5.080 -2.498 1.00 0.00 N ATOM 1074 CA LEU A 64 2.590 -4.880 -1.172 1.00 0.00 C ATOM 1075 C LEU A 64 3.118 -6.197 -0.615 1.00 0.00 C ATOM 1076 O LEU A 64 4.207 -6.259 -0.012 1.00 0.00 O ATOM 1077 CB LEU A 64 1.515 -4.316 -0.228 1.00 0.00 C ATOM 1078 CG LEU A 64 0.852 -2.996 -0.648 1.00 0.00 C ATOM 1079 CD1 LEU A 64 -0.180 -2.565 0.381 1.00 0.00 C ATOM 1080 CD2 LEU A 64 1.886 -1.898 -0.859 1.00 0.00 C ATOM 0 H LEU A 64 1.054 -4.790 -2.577 1.00 0.00 H new ATOM 0 HA LEU A 64 3.415 -4.171 -1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.734 -5.068 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.966 -4.173 0.754 1.00 0.00 H new ATOM 0 HG LEU A 64 0.347 -3.166 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.639 -1.628 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.948 -3.333 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.306 -2.424 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.384 -0.977 -1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.433 -1.730 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.582 -2.199 -1.641 1.00 0.00 H new ATOM 1092 N THR A 65 2.370 -7.252 -0.861 1.00 0.00 N ATOM 1093 CA THR A 65 2.736 -8.550 -0.397 1.00 0.00 C ATOM 1094 C THR A 65 4.034 -9.035 -1.053 1.00 0.00 C ATOM 1095 O THR A 65 4.963 -9.393 -0.360 1.00 0.00 O ATOM 1096 CB THR A 65 1.599 -9.591 -0.589 1.00 0.00 C ATOM 1097 OG1 THR A 65 0.418 -9.154 0.102 1.00 0.00 O ATOM 1098 CG2 THR A 65 2.003 -10.949 -0.034 1.00 0.00 C ATOM 0 H THR A 65 1.497 -7.222 -1.387 1.00 0.00 H new ATOM 0 HA THR A 65 2.909 -8.457 0.675 1.00 0.00 H new ATOM 0 HB THR A 65 1.406 -9.681 -1.658 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.167 -8.260 -0.212 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.189 -11.659 -0.181 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.893 -11.304 -0.553 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.217 -10.858 1.031 1.00 0.00 H new ATOM 1106 N ARG A 66 4.119 -8.970 -2.372 1.00 0.00 N ATOM 1107 CA ARG A 66 5.288 -9.510 -3.090 1.00 0.00 C ATOM 1108 C ARG A 66 6.584 -8.742 -2.786 1.00 0.00 C ATOM 1109 O ARG A 66 7.686 -9.264 -3.006 1.00 0.00 O ATOM 1110 CB ARG A 66 5.069 -9.548 -4.609 1.00 0.00 C ATOM 1111 CG ARG A 66 3.844 -10.322 -5.069 1.00 0.00 C ATOM 1112 CD ARG A 66 3.798 -10.414 -6.587 1.00 0.00 C ATOM 1113 NE ARG A 66 2.503 -10.890 -7.076 1.00 0.00 N ATOM 1114 CZ ARG A 66 2.269 -11.443 -8.275 1.00 0.00 C ATOM 1115 NH1 ARG A 66 3.274 -11.780 -9.085 1.00 0.00 N ATOM 1116 NH2 ARG A 66 1.012 -11.654 -8.654 1.00 0.00 N ATOM 0 H ARG A 66 3.406 -8.555 -2.972 1.00 0.00 H new ATOM 0 HA ARG A 66 5.400 -10.529 -2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.990 -8.524 -4.974 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.951 -9.985 -5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.860 -11.324 -4.640 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.941 -9.833 -4.703 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.007 -9.433 -7.015 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.584 -11.086 -6.932 1.00 0.00 H new ATOM 0 HE ARG A 66 1.706 -10.792 -6.447 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.239 -11.618 -8.796 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.078 -12.200 -9.994 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.243 -11.396 -8.036 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.817 -12.074 -9.563 1.00 0.00 H new ATOM 1130 N PHE A 67 6.477 -7.514 -2.320 1.00 0.00 N ATOM 1131 CA PHE A 67 7.679 -6.757 -2.030 1.00 0.00 C ATOM 1132 C PHE A 67 8.176 -6.963 -0.599 1.00 0.00 C ATOM 1133 O PHE A 67 9.309 -7.401 -0.391 1.00 0.00 O ATOM 1134 CB PHE A 67 7.489 -5.266 -2.324 1.00 0.00 C ATOM 1135 CG PHE A 67 8.760 -4.443 -2.233 1.00 0.00 C ATOM 1136 CD1 PHE A 67 9.632 -4.388 -3.309 1.00 0.00 C ATOM 1137 CD2 PHE A 67 9.082 -3.727 -1.082 1.00 0.00 C ATOM 1138 CE1 PHE A 67 10.791 -3.636 -3.245 1.00 0.00 C ATOM 1139 CE2 PHE A 67 10.239 -2.977 -1.014 1.00 0.00 C ATOM 1140 CZ PHE A 67 11.095 -2.933 -2.095 1.00 0.00 C ATOM 0 H PHE A 67 5.598 -7.030 -2.138 1.00 0.00 H new ATOM 0 HA PHE A 67 8.449 -7.145 -2.697 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.070 -5.156 -3.324 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.757 -4.861 -1.625 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.403 -4.939 -4.209 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.417 -3.759 -0.231 1.00 0.00 H new ATOM 0 HE1 PHE A 67 11.458 -3.598 -4.094 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.474 -2.425 -0.116 1.00 0.00 H new ATOM 0 HZ PHE A 67 12.002 -2.349 -2.042 1.00 0.00 H new ATOM 1150 N PHE A 68 7.344 -6.677 0.382 1.00 0.00 N ATOM 1151 CA PHE A 68 7.839 -6.670 1.757 1.00 0.00 C ATOM 1152 C PHE A 68 7.162 -7.664 2.690 1.00 0.00 C ATOM 1153 O PHE A 68 7.736 -8.041 3.705 1.00 0.00 O ATOM 1154 CB PHE A 68 7.759 -5.250 2.353 1.00 0.00 C ATOM 1155 CG PHE A 68 6.365 -4.663 2.375 1.00 0.00 C ATOM 1156 CD1 PHE A 68 5.487 -4.959 3.406 1.00 0.00 C ATOM 1157 CD2 PHE A 68 5.937 -3.815 1.368 1.00 0.00 C ATOM 1158 CE1 PHE A 68 4.222 -4.430 3.426 1.00 0.00 C ATOM 1159 CE2 PHE A 68 4.670 -3.280 1.390 1.00 0.00 C ATOM 1160 CZ PHE A 68 3.812 -3.589 2.421 1.00 0.00 C ATOM 0 H PHE A 68 6.355 -6.453 0.269 1.00 0.00 H new ATOM 0 HA PHE A 68 8.876 -6.997 1.684 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.147 -5.273 3.371 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.410 -4.590 1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.803 -5.615 4.204 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.606 -3.571 0.556 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.547 -4.675 4.233 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.349 -2.618 0.599 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.817 -3.170 2.439 1.00 0.00 H new ATOM 1170 N LEU A 69 5.962 -8.077 2.377 1.00 0.00 N ATOM 1171 CA LEU A 69 5.222 -8.896 3.316 1.00 0.00 C ATOM 1172 C LEU A 69 5.518 -10.375 3.081 1.00 0.00 C ATOM 1173 O LEU A 69 5.968 -11.086 3.984 1.00 0.00 O ATOM 1174 CB LEU A 69 3.722 -8.628 3.169 1.00 0.00 C ATOM 1175 CG LEU A 69 2.827 -9.091 4.318 1.00 0.00 C ATOM 1176 CD1 LEU A 69 3.093 -8.272 5.580 1.00 0.00 C ATOM 1177 CD2 LEU A 69 1.362 -9.002 3.924 1.00 0.00 C ATOM 0 H LEU A 69 5.480 -7.869 1.502 1.00 0.00 H new ATOM 0 HA LEU A 69 5.532 -8.638 4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.579 -7.555 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.378 -9.110 2.254 1.00 0.00 H new ATOM 0 HG LEU A 69 3.064 -10.133 4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.444 -8.620 6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.135 -8.391 5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.890 -7.220 5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.741 -9.336 4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.114 -7.970 3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.179 -9.636 3.057 1.00 0.00 H new