USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 494 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 48 ASN : amide:sc= -3.68! X(o=-3.7!,f=-3.7) USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 16 ASN : amide:sc= -6.27! C(o=-6.3!,f=-16!) USER MOD Set 2.2: A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= -2.63! USER MOD Single : A 10 ASN : amide:sc= -0.97 K(o=-0.97,f=-6.6!) USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00888) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.64! C(o=-1.6!,f=-2.4!) USER MOD Single : A 36 THR OG1 : rot 180:sc=-0.00575 USER MOD Single : A 38 ASN : amide:sc= -1.21! C(o=-1.2!,f=-8.1!) USER MOD Single : A 42 ASN : amide:sc= -5.73! C(o=-5.7!,f=-7.4!) USER MOD Single : A 49 SER OG : rot 72:sc= 0.382 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 143:sc= -1.02! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 1.114 11.339 7.796 1.00 0.00 N ATOM 44 CA LYS A 4 0.333 10.160 8.132 1.00 0.00 C ATOM 45 C LYS A 4 0.081 9.343 6.862 1.00 0.00 C ATOM 46 O LYS A 4 -0.852 9.627 6.112 1.00 0.00 O ATOM 47 CB LYS A 4 -0.945 10.556 8.872 1.00 0.00 C ATOM 48 CG LYS A 4 -1.036 9.849 10.226 1.00 0.00 C ATOM 49 CD LYS A 4 -2.064 10.529 11.132 1.00 0.00 C ATOM 50 CE LYS A 4 -3.007 9.501 11.761 1.00 0.00 C ATOM 51 NZ LYS A 4 -3.536 10.003 13.048 1.00 0.00 N ATOM 0 HA LYS A 4 0.886 9.520 8.820 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.964 11.636 9.020 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.814 10.302 8.266 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.311 8.805 10.077 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.059 9.855 10.710 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.551 11.085 11.917 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.641 11.252 10.555 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.831 9.290 11.080 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.477 8.562 11.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.174 9.293 13.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.747 10.182 13.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.059 10.887 12.887 1.00 0.00 H new ATOM 65 N LEU A 5 0.929 8.346 6.660 1.00 0.00 N ATOM 66 CA LEU A 5 0.809 7.486 5.495 1.00 0.00 C ATOM 67 C LEU A 5 1.703 6.258 5.679 1.00 0.00 C ATOM 68 O LEU A 5 2.551 6.231 6.569 1.00 0.00 O ATOM 69 CB LEU A 5 1.102 8.273 4.216 1.00 0.00 C ATOM 70 CG LEU A 5 2.579 8.518 3.902 1.00 0.00 C ATOM 71 CD1 LEU A 5 2.756 9.053 2.480 1.00 0.00 C ATOM 72 CD2 LEU A 5 3.215 9.441 4.944 1.00 0.00 C ATOM 0 H LEU A 5 1.702 8.114 7.283 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.214 7.124 5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.656 7.741 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.601 9.238 4.284 1.00 0.00 H new ATOM 0 HG LEU A 5 3.102 7.563 3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.815 9.219 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.363 8.328 1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.216 9.994 2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.265 9.599 4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.695 10.399 4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.139 8.983 5.930 1.00 0.00 H new ATOM 84 N TYR A 6 1.483 5.272 4.821 1.00 0.00 N ATOM 85 CA TYR A 6 2.258 4.044 4.878 1.00 0.00 C ATOM 86 C TYR A 6 2.426 3.437 3.483 1.00 0.00 C ATOM 87 O TYR A 6 1.506 2.809 2.961 1.00 0.00 O ATOM 88 CB TYR A 6 1.453 3.078 5.748 1.00 0.00 C ATOM 89 CG TYR A 6 2.006 1.651 5.768 1.00 0.00 C ATOM 90 CD1 TYR A 6 2.956 1.293 6.704 1.00 0.00 C ATOM 91 CD2 TYR A 6 1.556 0.723 4.852 1.00 0.00 C ATOM 92 CE1 TYR A 6 3.477 -0.050 6.723 1.00 0.00 C ATOM 93 CE2 TYR A 6 2.076 -0.619 4.872 1.00 0.00 C ATOM 94 CZ TYR A 6 3.011 -0.940 5.806 1.00 0.00 C ATOM 95 OH TYR A 6 3.502 -2.207 5.824 1.00 0.00 O ATOM 0 H TYR A 6 0.779 5.299 4.083 1.00 0.00 H new ATOM 0 HA TYR A 6 3.254 4.236 5.278 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.426 3.461 6.768 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.424 3.053 5.389 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.308 2.019 7.421 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.813 1.003 4.120 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.221 -0.344 7.449 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.731 -1.355 4.161 1.00 0.00 H new ATOM 0 HH TYR A 6 3.078 -2.732 5.114 1.00 0.00 H new ATOM 105 N GLY A 7 3.606 3.646 2.920 1.00 0.00 N ATOM 106 CA GLY A 7 3.906 3.127 1.596 1.00 0.00 C ATOM 107 C GLY A 7 2.880 3.612 0.572 1.00 0.00 C ATOM 108 O GLY A 7 2.384 2.828 -0.236 1.00 0.00 O ATOM 0 H GLY A 7 4.366 4.168 3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.904 3.445 1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.913 2.037 1.622 1.00 0.00 H new ATOM 112 N ASP A 8 2.591 4.904 0.636 1.00 0.00 N ATOM 113 CA ASP A 8 1.633 5.504 -0.276 1.00 0.00 C ATOM 114 C ASP A 8 2.107 5.298 -1.716 1.00 0.00 C ATOM 115 O ASP A 8 3.307 5.200 -1.970 1.00 0.00 O ATOM 116 CB ASP A 8 1.505 7.009 -0.031 1.00 0.00 C ATOM 117 CG ASP A 8 0.072 7.545 -0.031 1.00 0.00 C ATOM 118 OD1 ASP A 8 -0.769 6.916 -0.708 1.00 0.00 O ATOM 119 OD2 ASP A 8 -0.149 8.573 0.645 1.00 0.00 O ATOM 0 H ASP A 8 3.004 5.552 1.306 1.00 0.00 H new ATOM 0 HA ASP A 8 0.667 5.028 -0.109 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.965 7.246 0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.074 7.536 -0.797 1.00 0.00 H new ATOM 124 N VAL A 9 1.142 5.239 -2.621 1.00 0.00 N ATOM 125 CA VAL A 9 1.446 5.046 -4.028 1.00 0.00 C ATOM 126 C VAL A 9 1.463 6.404 -4.732 1.00 0.00 C ATOM 127 O VAL A 9 2.462 6.779 -5.343 1.00 0.00 O ATOM 128 CB VAL A 9 0.452 4.063 -4.649 1.00 0.00 C ATOM 129 CG1 VAL A 9 0.903 3.636 -6.047 1.00 0.00 C ATOM 130 CG2 VAL A 9 0.245 2.848 -3.744 1.00 0.00 C ATOM 0 H VAL A 9 0.148 5.322 -2.407 1.00 0.00 H new ATOM 0 HA VAL A 9 2.436 4.605 -4.148 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.506 4.573 -4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.179 2.937 -6.465 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.974 4.513 -6.690 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.878 3.153 -5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.466 2.165 -4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.197 2.337 -3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.143 3.175 -2.779 1.00 0.00 H new ATOM 140 N ASN A 10 0.344 7.106 -4.624 1.00 0.00 N ATOM 141 CA ASN A 10 0.217 8.414 -5.242 1.00 0.00 C ATOM 142 C ASN A 10 0.183 9.488 -4.153 1.00 0.00 C ATOM 143 O ASN A 10 -0.338 10.580 -4.369 1.00 0.00 O ATOM 144 CB ASN A 10 -1.079 8.519 -6.050 1.00 0.00 C ATOM 145 CG ASN A 10 -2.213 7.752 -5.368 1.00 0.00 C ATOM 146 OD1 ASN A 10 -2.233 7.564 -4.162 1.00 0.00 O ATOM 147 ND2 ASN A 10 -3.155 7.322 -6.202 1.00 0.00 N ATOM 0 H ASN A 10 -0.484 6.792 -4.117 1.00 0.00 H new ATOM 0 HA ASN A 10 1.069 8.556 -5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.359 9.567 -6.161 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -0.919 8.124 -7.053 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.955 6.801 -5.843 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.078 7.513 -7.201 1.00 0.00 H new ATOM 154 N ASP A 11 0.745 9.138 -3.005 1.00 0.00 N ATOM 155 CA ASP A 11 0.786 10.058 -1.881 1.00 0.00 C ATOM 156 C ASP A 11 -0.620 10.604 -1.623 1.00 0.00 C ATOM 157 O ASP A 11 -0.799 11.808 -1.449 1.00 0.00 O ATOM 158 CB ASP A 11 1.707 11.244 -2.172 1.00 0.00 C ATOM 159 CG ASP A 11 3.033 10.882 -2.847 1.00 0.00 C ATOM 160 OD1 ASP A 11 2.977 10.127 -3.841 1.00 0.00 O ATOM 161 OD2 ASP A 11 4.072 11.370 -2.352 1.00 0.00 O ATOM 0 H ASP A 11 1.176 8.230 -2.829 1.00 0.00 H new ATOM 0 HA ASP A 11 1.162 9.514 -1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.174 11.951 -2.807 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.922 11.757 -1.234 1.00 0.00 H new ATOM 166 N ASP A 12 -1.580 9.692 -1.607 1.00 0.00 N ATOM 167 CA ASP A 12 -2.964 10.067 -1.373 1.00 0.00 C ATOM 168 C ASP A 12 -3.355 9.695 0.058 1.00 0.00 C ATOM 169 O ASP A 12 -3.960 10.496 0.769 1.00 0.00 O ATOM 170 CB ASP A 12 -3.905 9.327 -2.327 1.00 0.00 C ATOM 171 CG ASP A 12 -5.349 9.199 -1.841 1.00 0.00 C ATOM 172 OD1 ASP A 12 -6.098 10.183 -2.021 1.00 0.00 O ATOM 173 OD2 ASP A 12 -5.673 8.119 -1.302 1.00 0.00 O ATOM 0 H ASP A 12 -1.427 8.694 -1.752 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.054 11.141 -1.538 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.905 9.844 -3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.507 8.328 -2.503 1.00 0.00 H new ATOM 178 N GLY A 13 -2.993 8.478 0.439 1.00 0.00 N ATOM 179 CA GLY A 13 -3.298 7.990 1.773 1.00 0.00 C ATOM 180 C GLY A 13 -2.450 6.763 2.115 1.00 0.00 C ATOM 181 O GLY A 13 -1.800 6.724 3.159 1.00 0.00 O ATOM 0 H GLY A 13 -2.491 7.816 -0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.115 8.778 2.503 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.356 7.735 1.838 1.00 0.00 H new ATOM 185 N LYS A 14 -2.485 5.790 1.215 1.00 0.00 N ATOM 186 CA LYS A 14 -1.728 4.566 1.409 1.00 0.00 C ATOM 187 C LYS A 14 -1.815 3.712 0.142 1.00 0.00 C ATOM 188 O LYS A 14 -2.454 4.105 -0.833 1.00 0.00 O ATOM 189 CB LYS A 14 -2.195 3.840 2.672 1.00 0.00 C ATOM 190 CG LYS A 14 -3.718 3.695 2.689 1.00 0.00 C ATOM 191 CD LYS A 14 -4.358 4.731 3.615 1.00 0.00 C ATOM 192 CE LYS A 14 -5.501 5.464 2.910 1.00 0.00 C ATOM 193 NZ LYS A 14 -6.033 6.545 3.771 1.00 0.00 N ATOM 0 H LYS A 14 -3.026 5.825 0.351 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.674 4.792 1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.732 2.855 2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.869 4.391 3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.109 3.814 1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.988 2.692 3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.735 4.239 4.512 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.605 5.450 3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.146 5.883 1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.297 4.760 2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.749 7.086 3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.466 6.131 4.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.258 7.179 4.052 1.00 0.00 H new ATOM 207 N VAL A 15 -1.164 2.559 0.197 1.00 0.00 N ATOM 208 CA VAL A 15 -1.161 1.647 -0.934 1.00 0.00 C ATOM 209 C VAL A 15 -2.188 0.538 -0.692 1.00 0.00 C ATOM 210 O VAL A 15 -1.962 -0.354 0.123 1.00 0.00 O ATOM 211 CB VAL A 15 0.253 1.111 -1.170 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.862 0.581 0.130 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.257 0.035 -2.256 1.00 0.00 C ATOM 0 H VAL A 15 -0.635 2.236 1.007 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.453 2.168 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 15 0.872 1.939 -1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.867 0.206 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.911 1.386 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.242 -0.227 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.274 -0.329 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.384 -0.792 -1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.116 0.458 -3.189 1.00 0.00 H new ATOM 223 N ASN A 16 -3.294 0.632 -1.416 1.00 0.00 N ATOM 224 CA ASN A 16 -4.355 -0.352 -1.291 1.00 0.00 C ATOM 225 C ASN A 16 -5.111 -0.451 -2.617 1.00 0.00 C ATOM 226 O ASN A 16 -4.673 0.095 -3.628 1.00 0.00 O ATOM 227 CB ASN A 16 -5.355 0.052 -0.206 1.00 0.00 C ATOM 228 CG ASN A 16 -5.087 1.477 0.284 1.00 0.00 C ATOM 229 OD1 ASN A 16 -4.064 1.774 0.880 1.00 0.00 O ATOM 230 ND2 ASN A 16 -6.059 2.339 0.002 1.00 0.00 N ATOM 0 H ASN A 16 -3.478 1.374 -2.091 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.901 -1.307 -1.026 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.370 -0.017 -0.598 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.289 -0.643 0.631 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.974 3.315 0.288 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -6.889 2.025 -0.500 1.00 0.00 H new ATOM 237 N SER A 17 -6.235 -1.152 -2.570 1.00 0.00 N ATOM 238 CA SER A 17 -7.056 -1.330 -3.756 1.00 0.00 C ATOM 239 C SER A 17 -7.307 0.022 -4.426 1.00 0.00 C ATOM 240 O SER A 17 -7.607 0.083 -5.617 1.00 0.00 O ATOM 241 CB SER A 17 -8.384 -2.006 -3.409 1.00 0.00 C ATOM 242 OG SER A 17 -9.358 -1.825 -4.433 1.00 0.00 O ATOM 0 H SER A 17 -6.596 -1.603 -1.729 1.00 0.00 H new ATOM 0 HA SER A 17 -6.520 -1.978 -4.450 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.218 -3.072 -3.251 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.764 -1.600 -2.471 1.00 0.00 H new ATOM 0 HG SER A 17 -10.191 -2.272 -4.175 1.00 0.00 H new ATOM 248 N THR A 18 -7.176 1.074 -3.631 1.00 0.00 N ATOM 249 CA THR A 18 -7.385 2.422 -4.133 1.00 0.00 C ATOM 250 C THR A 18 -6.285 2.797 -5.129 1.00 0.00 C ATOM 251 O THR A 18 -6.571 3.306 -6.212 1.00 0.00 O ATOM 252 CB THR A 18 -7.465 3.367 -2.932 1.00 0.00 C ATOM 253 OG1 THR A 18 -8.657 2.970 -2.257 1.00 0.00 O ATOM 254 CG2 THR A 18 -7.734 4.816 -3.343 1.00 0.00 C ATOM 0 H THR A 18 -6.928 1.020 -2.643 1.00 0.00 H new ATOM 0 HA THR A 18 -8.321 2.497 -4.687 1.00 0.00 H new ATOM 0 HB THR A 18 -6.533 3.317 -2.369 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.786 3.530 -1.463 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.781 5.444 -2.453 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.931 5.165 -3.991 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.682 4.873 -3.878 1.00 0.00 H new ATOM 262 N ASP A 19 -5.052 2.531 -4.726 1.00 0.00 N ATOM 263 CA ASP A 19 -3.908 2.834 -5.570 1.00 0.00 C ATOM 264 C ASP A 19 -3.563 1.606 -6.414 1.00 0.00 C ATOM 265 O ASP A 19 -2.416 1.433 -6.823 1.00 0.00 O ATOM 266 CB ASP A 19 -2.681 3.190 -4.727 1.00 0.00 C ATOM 267 CG ASP A 19 -2.761 4.537 -4.005 1.00 0.00 C ATOM 268 OD1 ASP A 19 -3.641 5.336 -4.391 1.00 0.00 O ATOM 269 OD2 ASP A 19 -1.939 4.735 -3.084 1.00 0.00 O ATOM 0 H ASP A 19 -4.819 2.109 -3.827 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.170 3.683 -6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.528 2.406 -3.985 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.803 3.193 -5.373 1.00 0.00 H new ATOM 274 N ALA A 20 -4.575 0.785 -6.649 1.00 0.00 N ATOM 275 CA ALA A 20 -4.393 -0.422 -7.437 1.00 0.00 C ATOM 276 C ALA A 20 -4.013 -0.039 -8.868 1.00 0.00 C ATOM 277 O ALA A 20 -3.189 -0.703 -9.494 1.00 0.00 O ATOM 278 CB ALA A 20 -5.667 -1.267 -7.378 1.00 0.00 C ATOM 0 H ALA A 20 -5.525 0.932 -6.307 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.582 -1.027 -7.031 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.531 -2.173 -7.969 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.877 -1.537 -6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.503 -0.694 -7.780 1.00 0.00 H new ATOM 284 N VAL A 21 -4.630 1.032 -9.344 1.00 0.00 N ATOM 285 CA VAL A 21 -4.368 1.512 -10.690 1.00 0.00 C ATOM 286 C VAL A 21 -2.870 1.397 -10.984 1.00 0.00 C ATOM 287 O VAL A 21 -2.475 0.799 -11.983 1.00 0.00 O ATOM 288 CB VAL A 21 -4.900 2.937 -10.851 1.00 0.00 C ATOM 289 CG1 VAL A 21 -6.340 2.929 -11.370 1.00 0.00 C ATOM 290 CG2 VAL A 21 -4.795 3.713 -9.538 1.00 0.00 C ATOM 0 H VAL A 21 -5.312 1.582 -8.821 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.893 0.899 -11.423 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.280 3.445 -11.590 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.694 3.954 -11.476 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.375 2.431 -12.339 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.978 2.395 -10.665 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.180 4.723 -9.680 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.379 3.207 -8.769 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.751 3.763 -9.227 1.00 0.00 H new ATOM 300 N ALA A 22 -2.079 1.980 -10.096 1.00 0.00 N ATOM 301 CA ALA A 22 -0.634 1.951 -10.247 1.00 0.00 C ATOM 302 C ALA A 22 -0.119 0.548 -9.917 1.00 0.00 C ATOM 303 O ALA A 22 0.873 0.097 -10.487 1.00 0.00 O ATOM 304 CB ALA A 22 -0.005 3.025 -9.358 1.00 0.00 C ATOM 0 H ALA A 22 -2.411 2.476 -9.269 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.352 2.173 -11.276 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.079 3.003 -9.472 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.380 4.005 -9.651 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.265 2.833 -8.317 1.00 0.00 H new ATOM 310 N LEU A 23 -0.818 -0.103 -8.999 1.00 0.00 N ATOM 311 CA LEU A 23 -0.443 -1.446 -8.587 1.00 0.00 C ATOM 312 C LEU A 23 -0.336 -2.342 -9.822 1.00 0.00 C ATOM 313 O LEU A 23 0.727 -2.894 -10.102 1.00 0.00 O ATOM 314 CB LEU A 23 -1.416 -1.972 -7.528 1.00 0.00 C ATOM 315 CG LEU A 23 -0.956 -3.206 -6.750 1.00 0.00 C ATOM 316 CD1 LEU A 23 -1.225 -3.042 -5.253 1.00 0.00 C ATOM 317 CD2 LEU A 23 -1.596 -4.477 -7.311 1.00 0.00 C ATOM 0 H LEU A 23 -1.641 0.274 -8.529 1.00 0.00 H new ATOM 0 HA LEU A 23 0.538 -1.439 -8.111 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.615 -1.171 -6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.362 -2.206 -8.016 1.00 0.00 H new ATOM 0 HG LEU A 23 0.122 -3.306 -6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.889 -3.933 -4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.685 -2.172 -4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.294 -2.904 -5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.252 -5.340 -6.740 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.681 -4.401 -7.237 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.311 -4.597 -8.356 1.00 0.00 H new ATOM 329 N LYS A 24 -1.452 -2.460 -10.527 1.00 0.00 N ATOM 330 CA LYS A 24 -1.496 -3.280 -11.725 1.00 0.00 C ATOM 331 C LYS A 24 -0.349 -2.879 -12.655 1.00 0.00 C ATOM 332 O LYS A 24 0.322 -3.739 -13.225 1.00 0.00 O ATOM 333 CB LYS A 24 -2.876 -3.198 -12.381 1.00 0.00 C ATOM 334 CG LYS A 24 -3.102 -4.374 -13.333 1.00 0.00 C ATOM 335 CD LYS A 24 -4.579 -4.494 -13.714 1.00 0.00 C ATOM 336 CE LYS A 24 -4.759 -5.407 -14.930 1.00 0.00 C ATOM 337 NZ LYS A 24 -6.193 -5.543 -15.267 1.00 0.00 N ATOM 0 H LYS A 24 -2.332 -2.001 -10.291 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.350 -4.330 -11.472 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.648 -3.195 -11.612 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.967 -2.260 -12.928 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.500 -4.240 -14.232 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.768 -5.298 -12.861 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.145 -4.890 -12.871 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.983 -3.506 -13.934 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.216 -4.999 -15.782 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.334 -6.389 -14.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.298 -6.165 -16.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.702 -5.953 -14.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.588 -4.606 -15.486 1.00 0.00 H new ATOM 351 N ARG A 25 -0.158 -1.574 -12.780 1.00 0.00 N ATOM 352 CA ARG A 25 0.896 -1.049 -13.630 1.00 0.00 C ATOM 353 C ARG A 25 2.268 -1.386 -13.044 1.00 0.00 C ATOM 354 O ARG A 25 3.252 -1.487 -13.776 1.00 0.00 O ATOM 355 CB ARG A 25 0.774 0.468 -13.785 1.00 0.00 C ATOM 356 CG ARG A 25 0.084 0.831 -15.103 1.00 0.00 C ATOM 357 CD ARG A 25 -1.406 0.489 -15.053 1.00 0.00 C ATOM 358 NE ARG A 25 -2.194 1.570 -15.685 1.00 0.00 N ATOM 359 CZ ARG A 25 -2.368 2.786 -15.148 1.00 0.00 C ATOM 360 NH1 ARG A 25 -1.812 3.082 -13.966 1.00 0.00 N ATOM 361 NH2 ARG A 25 -3.100 3.705 -15.794 1.00 0.00 N ATOM 0 H ARG A 25 -0.716 -0.864 -12.306 1.00 0.00 H new ATOM 0 HA ARG A 25 0.792 -1.513 -14.611 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.208 0.878 -12.949 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.765 0.921 -13.752 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.210 1.895 -15.303 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.557 0.294 -15.925 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.589 -0.454 -15.568 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.722 0.354 -14.019 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.632 1.378 -16.586 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.256 2.382 -13.474 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.944 4.007 -13.558 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.524 3.479 -16.694 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.233 4.630 -15.386 1.00 0.00 H new ATOM 375 N TYR A 26 2.290 -1.552 -11.730 1.00 0.00 N ATOM 376 CA TYR A 26 3.526 -1.875 -11.037 1.00 0.00 C ATOM 377 C TYR A 26 3.814 -3.376 -11.102 1.00 0.00 C ATOM 378 O TYR A 26 4.823 -3.795 -11.667 1.00 0.00 O ATOM 379 CB TYR A 26 3.308 -1.473 -9.577 1.00 0.00 C ATOM 380 CG TYR A 26 4.586 -1.472 -8.735 1.00 0.00 C ATOM 381 CD1 TYR A 26 5.026 -2.640 -8.146 1.00 0.00 C ATOM 382 CD2 TYR A 26 5.299 -0.303 -8.565 1.00 0.00 C ATOM 383 CE1 TYR A 26 6.228 -2.640 -7.353 1.00 0.00 C ATOM 384 CE2 TYR A 26 6.502 -0.302 -7.772 1.00 0.00 C ATOM 385 CZ TYR A 26 6.907 -1.471 -7.205 1.00 0.00 C ATOM 386 OH TYR A 26 8.042 -1.470 -6.457 1.00 0.00 O ATOM 0 H TYR A 26 1.472 -1.469 -11.127 1.00 0.00 H new ATOM 0 HA TYR A 26 4.369 -1.355 -11.493 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.864 -0.478 -9.547 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.588 -2.156 -9.126 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.468 -3.555 -8.280 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.955 0.611 -9.026 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.582 -3.547 -6.887 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.070 0.606 -7.631 1.00 0.00 H new ATOM 0 HH TYR A 26 8.422 -0.567 -6.440 1.00 0.00 H new ATOM 396 N VAL A 27 2.909 -4.146 -10.516 1.00 0.00 N ATOM 397 CA VAL A 27 3.053 -5.592 -10.500 1.00 0.00 C ATOM 398 C VAL A 27 3.463 -6.075 -11.893 1.00 0.00 C ATOM 399 O VAL A 27 4.228 -7.029 -12.023 1.00 0.00 O ATOM 400 CB VAL A 27 1.761 -6.241 -9.999 1.00 0.00 C ATOM 401 CG1 VAL A 27 1.900 -7.764 -9.940 1.00 0.00 C ATOM 402 CG2 VAL A 27 1.356 -5.674 -8.637 1.00 0.00 C ATOM 0 H VAL A 27 2.073 -3.796 -10.049 1.00 0.00 H new ATOM 0 HA VAL A 27 3.841 -5.890 -9.808 1.00 0.00 H new ATOM 0 HB VAL A 27 0.969 -6.004 -10.709 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.968 -8.201 -9.581 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.121 -8.148 -10.936 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.710 -8.029 -9.261 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.435 -6.152 -8.303 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.148 -5.867 -7.913 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.197 -4.599 -8.723 1.00 0.00 H new ATOM 412 N LEU A 28 2.937 -5.392 -12.899 1.00 0.00 N ATOM 413 CA LEU A 28 3.239 -5.740 -14.278 1.00 0.00 C ATOM 414 C LEU A 28 4.702 -5.402 -14.575 1.00 0.00 C ATOM 415 O LEU A 28 5.454 -6.251 -15.052 1.00 0.00 O ATOM 416 CB LEU A 28 2.247 -5.068 -15.229 1.00 0.00 C ATOM 417 CG LEU A 28 1.066 -5.928 -15.684 1.00 0.00 C ATOM 418 CD1 LEU A 28 -0.022 -5.977 -14.610 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.522 -5.445 -17.029 1.00 0.00 C ATOM 0 H LEU A 28 2.304 -4.600 -12.787 1.00 0.00 H new ATOM 0 HA LEU A 28 3.120 -6.812 -14.436 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.854 -4.176 -14.741 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.790 -4.735 -16.113 1.00 0.00 H new ATOM 0 HG LEU A 28 1.422 -6.948 -15.829 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.850 -6.595 -14.959 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.389 -6.404 -13.695 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.382 -4.968 -14.410 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.317 -6.073 -17.329 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.186 -4.412 -16.936 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.308 -5.505 -17.782 1.00 0.00 H new ATOM 431 N ARG A 29 5.060 -4.161 -14.282 1.00 0.00 N ATOM 432 CA ARG A 29 6.419 -3.700 -14.512 1.00 0.00 C ATOM 433 C ARG A 29 6.730 -2.496 -13.622 1.00 0.00 C ATOM 434 O ARG A 29 5.823 -1.891 -13.051 1.00 0.00 O ATOM 435 CB ARG A 29 6.628 -3.311 -15.977 1.00 0.00 C ATOM 436 CG ARG A 29 5.891 -2.012 -16.309 1.00 0.00 C ATOM 437 CD ARG A 29 4.394 -2.263 -16.498 1.00 0.00 C ATOM 438 NE ARG A 29 4.028 -2.097 -17.923 1.00 0.00 N ATOM 439 CZ ARG A 29 3.893 -0.910 -18.529 1.00 0.00 C ATOM 440 NH1 ARG A 29 4.092 0.221 -17.840 1.00 0.00 N ATOM 441 NH2 ARG A 29 3.558 -0.855 -19.825 1.00 0.00 N ATOM 0 H ARG A 29 4.433 -3.460 -13.887 1.00 0.00 H new ATOM 0 HA ARG A 29 7.093 -4.520 -14.266 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.693 -3.191 -16.177 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.271 -4.112 -16.624 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.044 -1.288 -15.508 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.307 -1.575 -17.217 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.141 -3.269 -16.164 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.820 -1.569 -15.884 1.00 0.00 H new ATOM 0 HE ARG A 29 3.869 -2.938 -18.477 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.347 0.179 -16.853 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.989 1.124 -18.302 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.406 -1.717 -20.349 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.455 0.048 -20.287 1.00 0.00 H new ATOM 455 N SER A 30 8.014 -2.183 -13.530 1.00 0.00 N ATOM 456 CA SER A 30 8.455 -1.062 -12.720 1.00 0.00 C ATOM 457 C SER A 30 8.672 0.169 -13.602 1.00 0.00 C ATOM 458 O SER A 30 9.793 0.659 -13.725 1.00 0.00 O ATOM 459 CB SER A 30 9.739 -1.403 -11.959 1.00 0.00 C ATOM 460 OG SER A 30 9.468 -1.908 -10.654 1.00 0.00 O ATOM 0 H SER A 30 8.763 -2.687 -14.004 1.00 0.00 H new ATOM 0 HA SER A 30 7.678 -0.843 -11.988 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.309 -2.142 -12.522 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.362 -0.512 -11.881 1.00 0.00 H new ATOM 0 HG SER A 30 10.312 -2.115 -10.202 1.00 0.00 H new ATOM 466 N GLY A 31 7.581 0.634 -14.192 1.00 0.00 N ATOM 467 CA GLY A 31 7.638 1.798 -15.060 1.00 0.00 C ATOM 468 C GLY A 31 7.085 3.036 -14.353 1.00 0.00 C ATOM 469 O GLY A 31 7.720 4.091 -14.352 1.00 0.00 O ATOM 0 H GLY A 31 6.652 0.226 -14.086 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.669 1.979 -15.365 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.066 1.607 -15.968 1.00 0.00 H new ATOM 473 N ILE A 32 5.909 2.869 -13.767 1.00 0.00 N ATOM 474 CA ILE A 32 5.264 3.960 -13.057 1.00 0.00 C ATOM 475 C ILE A 32 6.171 4.427 -11.916 1.00 0.00 C ATOM 476 O ILE A 32 7.128 3.742 -11.559 1.00 0.00 O ATOM 477 CB ILE A 32 3.863 3.548 -12.599 1.00 0.00 C ATOM 478 CG1 ILE A 32 3.902 2.220 -11.841 1.00 0.00 C ATOM 479 CG2 ILE A 32 2.891 3.506 -13.781 1.00 0.00 C ATOM 480 CD1 ILE A 32 2.993 2.263 -10.612 1.00 0.00 C ATOM 0 H ILE A 32 5.385 1.994 -13.769 1.00 0.00 H new ATOM 0 HA ILE A 32 5.119 4.813 -13.720 1.00 0.00 H new ATOM 0 HB ILE A 32 3.494 4.303 -11.905 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.589 1.411 -12.501 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.925 2.003 -11.534 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.903 3.211 -13.429 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.833 4.493 -14.240 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.245 2.784 -14.517 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.039 1.306 -10.091 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.324 3.057 -9.942 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.967 2.456 -10.925 1.00 0.00 H new ATOM 492 N SER A 33 5.836 5.590 -11.375 1.00 0.00 N ATOM 493 CA SER A 33 6.608 6.156 -10.282 1.00 0.00 C ATOM 494 C SER A 33 5.749 6.231 -9.019 1.00 0.00 C ATOM 495 O SER A 33 4.713 6.895 -9.006 1.00 0.00 O ATOM 496 CB SER A 33 7.140 7.544 -10.645 1.00 0.00 C ATOM 497 OG SER A 33 8.469 7.489 -11.156 1.00 0.00 O ATOM 0 H SER A 33 5.041 6.155 -11.673 1.00 0.00 H new ATOM 0 HA SER A 33 7.463 5.506 -10.094 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.485 8.001 -11.387 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.117 8.183 -9.763 1.00 0.00 H new ATOM 0 HG SER A 33 8.772 8.394 -11.378 1.00 0.00 H new ATOM 503 N ILE A 34 6.210 5.541 -7.985 1.00 0.00 N ATOM 504 CA ILE A 34 5.497 5.521 -6.720 1.00 0.00 C ATOM 505 C ILE A 34 6.502 5.611 -5.571 1.00 0.00 C ATOM 506 O ILE A 34 7.696 5.386 -5.767 1.00 0.00 O ATOM 507 CB ILE A 34 4.580 4.298 -6.641 1.00 0.00 C ATOM 508 CG1 ILE A 34 5.387 3.023 -6.387 1.00 0.00 C ATOM 509 CG2 ILE A 34 3.707 4.185 -7.892 1.00 0.00 C ATOM 510 CD1 ILE A 34 4.526 1.954 -5.713 1.00 0.00 C ATOM 0 H ILE A 34 7.069 4.992 -7.999 1.00 0.00 H new ATOM 0 HA ILE A 34 4.842 6.388 -6.639 1.00 0.00 H new ATOM 0 HB ILE A 34 3.909 4.428 -5.792 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.775 2.640 -7.331 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.247 3.252 -5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.065 3.308 -7.810 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.090 5.078 -7.987 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.343 4.088 -8.772 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.124 1.058 -5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.159 2.331 -4.758 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.680 1.710 -6.356 1.00 0.00 H new ATOM 522 N ASN A 35 5.984 5.941 -4.397 1.00 0.00 N ATOM 523 CA ASN A 35 6.822 6.064 -3.217 1.00 0.00 C ATOM 524 C ASN A 35 7.309 4.675 -2.796 1.00 0.00 C ATOM 525 O ASN A 35 7.010 4.216 -1.694 1.00 0.00 O ATOM 526 CB ASN A 35 6.040 6.665 -2.047 1.00 0.00 C ATOM 527 CG ASN A 35 5.123 7.793 -2.524 1.00 0.00 C ATOM 528 OD1 ASN A 35 5.471 8.962 -2.503 1.00 0.00 O ATOM 529 ND2 ASN A 35 3.934 7.379 -2.951 1.00 0.00 N ATOM 0 H ASN A 35 4.994 6.127 -4.238 1.00 0.00 H new ATOM 0 HA ASN A 35 7.660 6.716 -3.464 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.447 5.889 -1.564 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.734 7.047 -1.299 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.249 8.056 -3.288 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.707 6.385 -2.942 1.00 0.00 H new ATOM 536 N THR A 36 8.051 4.045 -3.695 1.00 0.00 N ATOM 537 CA THR A 36 8.581 2.719 -3.431 1.00 0.00 C ATOM 538 C THR A 36 9.403 2.721 -2.139 1.00 0.00 C ATOM 539 O THR A 36 9.668 1.665 -1.566 1.00 0.00 O ATOM 540 CB THR A 36 9.380 2.277 -4.657 1.00 0.00 C ATOM 541 OG1 THR A 36 10.158 1.178 -4.188 1.00 0.00 O ATOM 542 CG2 THR A 36 10.420 3.314 -5.085 1.00 0.00 C ATOM 0 H THR A 36 8.297 4.429 -4.607 1.00 0.00 H new ATOM 0 HA THR A 36 7.780 1.998 -3.269 1.00 0.00 H new ATOM 0 HB THR A 36 8.697 2.086 -5.485 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.706 0.829 -4.921 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.959 2.949 -5.960 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.920 4.251 -5.331 1.00 0.00 H new ATOM 0 HG23 THR A 36 11.124 3.482 -4.270 1.00 0.00 H new ATOM 550 N ASP A 37 9.782 3.919 -1.719 1.00 0.00 N ATOM 551 CA ASP A 37 10.568 4.072 -0.506 1.00 0.00 C ATOM 552 C ASP A 37 10.061 3.091 0.552 1.00 0.00 C ATOM 553 O ASP A 37 10.703 2.077 0.822 1.00 0.00 O ATOM 554 CB ASP A 37 10.436 5.488 0.060 1.00 0.00 C ATOM 555 CG ASP A 37 11.613 6.417 -0.242 1.00 0.00 C ATOM 556 OD1 ASP A 37 12.716 5.878 -0.477 1.00 0.00 O ATOM 557 OD2 ASP A 37 11.383 7.646 -0.232 1.00 0.00 O ATOM 0 H ASP A 37 9.560 4.792 -2.197 1.00 0.00 H new ATOM 0 HA ASP A 37 11.612 3.878 -0.753 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.526 5.938 -0.337 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.313 5.421 1.141 1.00 0.00 H new ATOM 562 N ASN A 38 8.913 3.426 1.123 1.00 0.00 N ATOM 563 CA ASN A 38 8.312 2.587 2.145 1.00 0.00 C ATOM 564 C ASN A 38 7.019 1.976 1.603 1.00 0.00 C ATOM 565 O ASN A 38 6.031 1.862 2.328 1.00 0.00 O ATOM 566 CB ASN A 38 7.965 3.401 3.393 1.00 0.00 C ATOM 567 CG ASN A 38 7.427 4.782 3.013 1.00 0.00 C ATOM 568 OD1 ASN A 38 7.975 5.482 2.177 1.00 0.00 O ATOM 569 ND2 ASN A 38 6.327 5.135 3.672 1.00 0.00 N ATOM 0 H ASN A 38 8.383 4.268 0.897 1.00 0.00 H new ATOM 0 HA ASN A 38 9.031 1.812 2.410 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.222 2.867 3.985 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.851 3.511 4.018 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.891 6.039 3.490 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.919 4.502 4.359 1.00 0.00 H new ATOM 576 N ALA A 39 7.066 1.600 0.334 1.00 0.00 N ATOM 577 CA ALA A 39 5.909 1.005 -0.314 1.00 0.00 C ATOM 578 C ALA A 39 5.790 -0.460 0.111 1.00 0.00 C ATOM 579 O ALA A 39 4.752 -0.881 0.620 1.00 0.00 O ATOM 580 CB ALA A 39 6.035 1.163 -1.831 1.00 0.00 C ATOM 0 H ALA A 39 7.887 1.696 -0.263 1.00 0.00 H new ATOM 0 HA ALA A 39 4.994 1.513 -0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.167 0.717 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.087 2.222 -2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.940 0.663 -2.175 1.00 0.00 H new ATOM 586 N ASP A 40 6.868 -1.197 -0.111 1.00 0.00 N ATOM 587 CA ASP A 40 6.898 -2.606 0.242 1.00 0.00 C ATOM 588 C ASP A 40 7.334 -2.753 1.701 1.00 0.00 C ATOM 589 O ASP A 40 8.156 -1.977 2.187 1.00 0.00 O ATOM 590 CB ASP A 40 7.896 -3.372 -0.630 1.00 0.00 C ATOM 591 CG ASP A 40 8.281 -4.757 -0.106 1.00 0.00 C ATOM 592 OD1 ASP A 40 7.353 -5.579 0.062 1.00 0.00 O ATOM 593 OD2 ASP A 40 9.493 -4.964 0.114 1.00 0.00 O ATOM 0 H ASP A 40 7.728 -0.845 -0.531 1.00 0.00 H new ATOM 0 HA ASP A 40 5.899 -3.013 0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.473 -3.482 -1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.801 -2.774 -0.731 1.00 0.00 H new ATOM 598 N LEU A 41 6.765 -3.752 2.359 1.00 0.00 N ATOM 599 CA LEU A 41 7.085 -4.010 3.752 1.00 0.00 C ATOM 600 C LEU A 41 7.037 -5.517 4.011 1.00 0.00 C ATOM 601 O LEU A 41 6.869 -5.949 5.151 1.00 0.00 O ATOM 602 CB LEU A 41 6.169 -3.199 4.671 1.00 0.00 C ATOM 603 CG LEU A 41 6.204 -1.681 4.482 1.00 0.00 C ATOM 604 CD1 LEU A 41 5.137 -1.228 3.483 1.00 0.00 C ATOM 605 CD2 LEU A 41 6.074 -0.958 5.825 1.00 0.00 C ATOM 0 H LEU A 41 6.084 -4.393 1.953 1.00 0.00 H new ATOM 0 HA LEU A 41 8.099 -3.679 3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.144 -3.540 4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.433 -3.423 5.704 1.00 0.00 H new ATOM 0 HG LEU A 41 7.173 -1.412 4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.183 -0.145 3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.316 -1.704 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.151 -1.512 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.102 0.119 5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.129 -1.230 6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.899 -1.248 6.476 1.00 0.00 H new ATOM 617 N ASN A 42 7.189 -6.275 2.935 1.00 0.00 N ATOM 618 CA ASN A 42 7.165 -7.725 3.032 1.00 0.00 C ATOM 619 C ASN A 42 7.953 -8.323 1.865 1.00 0.00 C ATOM 620 O ASN A 42 7.724 -9.467 1.478 1.00 0.00 O ATOM 621 CB ASN A 42 5.733 -8.259 2.959 1.00 0.00 C ATOM 622 CG ASN A 42 4.753 -7.292 3.626 1.00 0.00 C ATOM 623 OD1 ASN A 42 4.193 -6.406 3.002 1.00 0.00 O ATOM 624 ND2 ASN A 42 4.577 -7.512 4.926 1.00 0.00 N ATOM 0 H ASN A 42 7.329 -5.913 1.992 1.00 0.00 H new ATOM 0 HA ASN A 42 7.606 -8.006 3.988 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.450 -8.409 1.917 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.679 -9.232 3.447 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.941 -6.921 5.462 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.078 -8.272 5.387 1.00 0.00 H new ATOM 631 N GLU A 43 8.866 -7.521 1.337 1.00 0.00 N ATOM 632 CA GLU A 43 9.689 -7.956 0.222 1.00 0.00 C ATOM 633 C GLU A 43 8.809 -8.491 -0.911 1.00 0.00 C ATOM 634 O GLU A 43 9.174 -9.453 -1.584 1.00 0.00 O ATOM 635 CB GLU A 43 10.707 -9.007 0.668 1.00 0.00 C ATOM 636 CG GLU A 43 12.078 -8.374 0.912 1.00 0.00 C ATOM 637 CD GLU A 43 13.105 -9.431 1.323 1.00 0.00 C ATOM 638 OE1 GLU A 43 13.592 -10.134 0.411 1.00 0.00 O ATOM 639 OE2 GLU A 43 13.379 -9.513 2.540 1.00 0.00 O ATOM 0 H GLU A 43 9.054 -6.572 1.661 1.00 0.00 H new ATOM 0 HA GLU A 43 10.245 -7.095 -0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.359 -9.492 1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.791 -9.783 -0.093 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.415 -7.867 0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.999 -7.616 1.691 1.00 0.00 H new ATOM 646 N ASP A 44 7.667 -7.842 -1.086 1.00 0.00 N ATOM 647 CA ASP A 44 6.732 -8.241 -2.125 1.00 0.00 C ATOM 648 C ASP A 44 6.632 -7.127 -3.169 1.00 0.00 C ATOM 649 O ASP A 44 6.438 -7.398 -4.353 1.00 0.00 O ATOM 650 CB ASP A 44 5.335 -8.476 -1.548 1.00 0.00 C ATOM 651 CG ASP A 44 5.277 -9.449 -0.369 1.00 0.00 C ATOM 652 OD1 ASP A 44 6.240 -10.235 -0.234 1.00 0.00 O ATOM 653 OD2 ASP A 44 4.272 -9.386 0.371 1.00 0.00 O ATOM 0 H ASP A 44 7.368 -7.043 -0.526 1.00 0.00 H new ATOM 0 HA ASP A 44 7.097 -9.166 -2.571 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.924 -7.518 -1.229 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.689 -8.852 -2.342 1.00 0.00 H new ATOM 658 N GLY A 45 6.768 -5.899 -2.692 1.00 0.00 N ATOM 659 CA GLY A 45 6.695 -4.743 -3.569 1.00 0.00 C ATOM 660 C GLY A 45 5.571 -3.798 -3.140 1.00 0.00 C ATOM 661 O GLY A 45 5.795 -2.603 -2.956 1.00 0.00 O ATOM 0 H GLY A 45 6.928 -5.679 -1.709 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.647 -4.211 -3.556 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.527 -5.071 -4.595 1.00 0.00 H new ATOM 665 N ARG A 46 4.385 -4.371 -2.992 1.00 0.00 N ATOM 666 CA ARG A 46 3.225 -3.594 -2.587 1.00 0.00 C ATOM 667 C ARG A 46 2.251 -4.469 -1.795 1.00 0.00 C ATOM 668 O ARG A 46 2.387 -4.613 -0.580 1.00 0.00 O ATOM 669 CB ARG A 46 2.501 -3.011 -3.803 1.00 0.00 C ATOM 670 CG ARG A 46 3.157 -1.705 -4.257 1.00 0.00 C ATOM 671 CD ARG A 46 3.530 -1.765 -5.739 1.00 0.00 C ATOM 672 NE ARG A 46 3.061 -0.543 -6.428 1.00 0.00 N ATOM 673 CZ ARG A 46 1.787 -0.128 -6.439 1.00 0.00 C ATOM 674 NH1 ARG A 46 0.846 -0.834 -5.796 1.00 0.00 N ATOM 675 NH2 ARG A 46 1.452 0.994 -7.091 1.00 0.00 N ATOM 0 H ARG A 46 4.202 -5.363 -3.145 1.00 0.00 H new ATOM 0 HA ARG A 46 3.577 -2.775 -1.960 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.515 -3.733 -4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.455 -2.830 -3.556 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.476 -0.872 -4.083 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.050 -1.516 -3.661 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.610 -1.862 -5.847 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.084 -2.646 -6.200 1.00 0.00 H new ATOM 0 HE ARG A 46 3.751 0.019 -6.926 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.100 -1.687 -5.298 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.124 -0.518 -5.805 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.167 1.533 -7.579 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.482 1.309 -7.099 1.00 0.00 H new ATOM 689 N VAL A 47 1.291 -5.032 -2.514 1.00 0.00 N ATOM 690 CA VAL A 47 0.295 -5.889 -1.892 1.00 0.00 C ATOM 691 C VAL A 47 -0.018 -7.060 -2.826 1.00 0.00 C ATOM 692 O VAL A 47 -1.030 -7.047 -3.525 1.00 0.00 O ATOM 693 CB VAL A 47 -0.944 -5.070 -1.525 1.00 0.00 C ATOM 694 CG1 VAL A 47 -0.569 -3.872 -0.650 1.00 0.00 C ATOM 695 CG2 VAL A 47 -1.695 -4.619 -2.779 1.00 0.00 C ATOM 0 H VAL A 47 1.181 -4.912 -3.521 1.00 0.00 H new ATOM 0 HA VAL A 47 0.679 -6.308 -0.962 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.611 -5.711 -0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.467 -3.306 -0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.099 -4.225 0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.127 -3.230 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.571 -4.039 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.039 -4.003 -3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.011 -5.493 -3.348 1.00 0.00 H new ATOM 705 N ASN A 48 0.870 -8.043 -2.807 1.00 0.00 N ATOM 706 CA ASN A 48 0.701 -9.219 -3.643 1.00 0.00 C ATOM 707 C ASN A 48 -0.599 -9.931 -3.260 1.00 0.00 C ATOM 708 O ASN A 48 -1.316 -10.431 -4.125 1.00 0.00 O ATOM 709 CB ASN A 48 1.855 -10.205 -3.448 1.00 0.00 C ATOM 710 CG ASN A 48 1.760 -10.895 -2.086 1.00 0.00 C ATOM 711 OD1 ASN A 48 1.094 -11.903 -1.916 1.00 0.00 O ATOM 712 ND2 ASN A 48 2.463 -10.299 -1.127 1.00 0.00 N ATOM 0 H ASN A 48 1.708 -8.049 -2.226 1.00 0.00 H new ATOM 0 HA ASN A 48 0.678 -8.892 -4.683 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.837 -10.953 -4.241 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.806 -9.678 -3.528 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.466 -10.684 -0.182 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.000 -9.457 -1.336 1.00 0.00 H new ATOM 719 N SER A 49 -0.863 -9.953 -1.962 1.00 0.00 N ATOM 720 CA SER A 49 -2.063 -10.594 -1.452 1.00 0.00 C ATOM 721 C SER A 49 -1.948 -10.795 0.059 1.00 0.00 C ATOM 722 O SER A 49 -2.952 -10.782 0.769 1.00 0.00 O ATOM 723 CB SER A 49 -2.309 -11.933 -2.150 1.00 0.00 C ATOM 724 OG SER A 49 -3.399 -11.867 -3.066 1.00 0.00 O ATOM 0 H SER A 49 -0.266 -9.537 -1.248 1.00 0.00 H new ATOM 0 HA SER A 49 -2.913 -9.945 -1.660 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.407 -12.235 -2.682 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.510 -12.700 -1.402 1.00 0.00 H new ATOM 0 HG SER A 49 -3.136 -11.341 -3.850 1.00 0.00 H new ATOM 730 N THR A 50 -0.714 -10.976 0.508 1.00 0.00 N ATOM 731 CA THR A 50 -0.455 -11.179 1.923 1.00 0.00 C ATOM 732 C THR A 50 -0.500 -9.845 2.671 1.00 0.00 C ATOM 733 O THR A 50 -1.026 -9.768 3.780 1.00 0.00 O ATOM 734 CB THR A 50 0.884 -11.907 2.059 1.00 0.00 C ATOM 735 OG1 THR A 50 0.595 -13.243 1.652 1.00 0.00 O ATOM 736 CG2 THR A 50 1.328 -12.050 3.515 1.00 0.00 C ATOM 0 H THR A 50 0.117 -10.986 -0.083 1.00 0.00 H new ATOM 0 HA THR A 50 -1.226 -11.798 2.381 1.00 0.00 H new ATOM 0 HB THR A 50 1.648 -11.369 1.498 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.409 -13.785 1.708 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.283 -12.573 3.554 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.437 -11.061 3.961 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.580 -12.617 4.069 1.00 0.00 H new ATOM 744 N ASP A 51 0.062 -8.828 2.034 1.00 0.00 N ATOM 745 CA ASP A 51 0.093 -7.500 2.625 1.00 0.00 C ATOM 746 C ASP A 51 -1.263 -6.823 2.418 1.00 0.00 C ATOM 747 O ASP A 51 -1.791 -6.192 3.333 1.00 0.00 O ATOM 748 CB ASP A 51 1.163 -6.629 1.964 1.00 0.00 C ATOM 749 CG ASP A 51 2.286 -7.400 1.268 1.00 0.00 C ATOM 750 OD1 ASP A 51 2.960 -8.180 1.973 1.00 0.00 O ATOM 751 OD2 ASP A 51 2.444 -7.191 0.046 1.00 0.00 O ATOM 0 H ASP A 51 0.499 -8.896 1.115 1.00 0.00 H new ATOM 0 HA ASP A 51 0.320 -7.607 3.686 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.681 -5.980 1.233 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.603 -5.982 2.723 1.00 0.00 H new ATOM 756 N LEU A 52 -1.787 -6.977 1.211 1.00 0.00 N ATOM 757 CA LEU A 52 -3.072 -6.387 0.873 1.00 0.00 C ATOM 758 C LEU A 52 -4.018 -6.516 2.069 1.00 0.00 C ATOM 759 O LEU A 52 -4.469 -5.513 2.619 1.00 0.00 O ATOM 760 CB LEU A 52 -3.621 -7.003 -0.415 1.00 0.00 C ATOM 761 CG LEU A 52 -4.459 -6.075 -1.298 1.00 0.00 C ATOM 762 CD1 LEU A 52 -4.535 -6.605 -2.732 1.00 0.00 C ATOM 763 CD2 LEU A 52 -5.847 -5.850 -0.695 1.00 0.00 C ATOM 0 H LEU A 52 -1.346 -7.501 0.455 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.961 -5.322 0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.782 -7.372 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.230 -7.868 -0.150 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.965 -5.104 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.136 -5.928 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.530 -6.671 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.993 -7.594 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.422 -5.187 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.363 -6.806 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.746 -5.397 0.291 1.00 0.00 H new ATOM 775 N GLY A 53 -4.291 -7.760 2.436 1.00 0.00 N ATOM 776 CA GLY A 53 -5.175 -8.033 3.556 1.00 0.00 C ATOM 777 C GLY A 53 -4.957 -7.024 4.685 1.00 0.00 C ATOM 778 O GLY A 53 -5.778 -6.132 4.894 1.00 0.00 O ATOM 0 H GLY A 53 -3.915 -8.590 1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.212 -7.993 3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.997 -9.043 3.926 1.00 0.00 H new ATOM 782 N ILE A 54 -3.845 -7.198 5.385 1.00 0.00 N ATOM 783 CA ILE A 54 -3.508 -6.315 6.488 1.00 0.00 C ATOM 784 C ILE A 54 -3.781 -4.866 6.076 1.00 0.00 C ATOM 785 O ILE A 54 -4.434 -4.121 6.806 1.00 0.00 O ATOM 786 CB ILE A 54 -2.073 -6.562 6.954 1.00 0.00 C ATOM 787 CG1 ILE A 54 -2.021 -6.809 8.463 1.00 0.00 C ATOM 788 CG2 ILE A 54 -1.153 -5.416 6.529 1.00 0.00 C ATOM 789 CD1 ILE A 54 -0.695 -7.457 8.867 1.00 0.00 C ATOM 0 H ILE A 54 -3.166 -7.938 5.209 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.138 -6.526 7.352 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.707 -7.466 6.467 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.145 -5.865 8.994 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.849 -7.453 8.759 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.139 -5.617 6.873 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.157 -5.330 5.442 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.507 -4.483 6.968 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.684 -7.622 9.944 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.585 -8.412 8.353 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.130 -6.800 8.592 1.00 0.00 H new ATOM 801 N LEU A 55 -3.266 -4.510 4.908 1.00 0.00 N ATOM 802 CA LEU A 55 -3.445 -3.164 4.391 1.00 0.00 C ATOM 803 C LEU A 55 -4.936 -2.823 4.375 1.00 0.00 C ATOM 804 O LEU A 55 -5.369 -1.885 5.044 1.00 0.00 O ATOM 805 CB LEU A 55 -2.767 -3.020 3.027 1.00 0.00 C ATOM 806 CG LEU A 55 -1.261 -2.749 3.052 1.00 0.00 C ATOM 807 CD1 LEU A 55 -0.476 -3.974 2.580 1.00 0.00 C ATOM 808 CD2 LEU A 55 -0.915 -1.499 2.239 1.00 0.00 C ATOM 0 H LEU A 55 -2.725 -5.130 4.305 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.958 -2.438 5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.942 -3.933 2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.253 -2.209 2.486 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.966 -2.555 4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.591 -3.755 2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.690 -4.818 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.769 -4.223 1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.161 -1.329 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.227 -1.640 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.432 -0.637 2.660 1.00 0.00 H new ATOM 820 N LYS A 56 -5.681 -3.601 3.605 1.00 0.00 N ATOM 821 CA LYS A 56 -7.115 -3.393 3.494 1.00 0.00 C ATOM 822 C LYS A 56 -7.762 -3.585 4.868 1.00 0.00 C ATOM 823 O LYS A 56 -8.948 -3.309 5.043 1.00 0.00 O ATOM 824 CB LYS A 56 -7.704 -4.294 2.406 1.00 0.00 C ATOM 825 CG LYS A 56 -7.612 -5.768 2.805 1.00 0.00 C ATOM 826 CD LYS A 56 -8.513 -6.633 1.920 1.00 0.00 C ATOM 827 CE LYS A 56 -9.847 -6.919 2.612 1.00 0.00 C ATOM 828 NZ LYS A 56 -10.754 -7.654 1.703 1.00 0.00 N ATOM 0 H LYS A 56 -5.319 -4.377 3.051 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.329 -2.371 3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.746 -4.025 2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.172 -4.134 1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.580 -6.107 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.902 -5.885 3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.692 -6.126 0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.010 -7.572 1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.677 -7.503 3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.312 -5.983 2.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.655 -7.840 2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.930 -7.083 0.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.315 -8.556 1.429 1.00 0.00 H new ATOM 842 N ARG A 57 -6.954 -4.055 5.807 1.00 0.00 N ATOM 843 CA ARG A 57 -7.433 -4.285 7.158 1.00 0.00 C ATOM 844 C ARG A 57 -7.211 -3.041 8.021 1.00 0.00 C ATOM 845 O ARG A 57 -8.104 -2.623 8.755 1.00 0.00 O ATOM 846 CB ARG A 57 -6.717 -5.476 7.801 1.00 0.00 C ATOM 847 CG ARG A 57 -7.719 -6.541 8.250 1.00 0.00 C ATOM 848 CD ARG A 57 -7.024 -7.885 8.480 1.00 0.00 C ATOM 849 NE ARG A 57 -7.999 -8.989 8.334 1.00 0.00 N ATOM 850 CZ ARG A 57 -8.946 -9.280 9.237 1.00 0.00 C ATOM 851 NH1 ARG A 57 -9.053 -8.549 10.354 1.00 0.00 N ATOM 852 NH2 ARG A 57 -9.786 -10.301 9.020 1.00 0.00 N ATOM 0 H ARG A 57 -5.971 -4.283 5.658 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.499 -4.504 7.098 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.014 -5.910 7.090 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.135 -5.136 8.657 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.210 -6.219 9.169 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.497 -6.654 7.495 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.210 -8.010 7.766 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.581 -7.909 9.476 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.947 -9.565 7.493 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.414 -7.771 10.517 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.774 -8.770 11.041 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.705 -10.856 8.168 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.507 -10.523 9.707 1.00 0.00 H new ATOM 866 N TYR A 58 -6.014 -2.483 7.902 1.00 0.00 N ATOM 867 CA TYR A 58 -5.664 -1.294 8.661 1.00 0.00 C ATOM 868 C TYR A 58 -6.017 -0.025 7.883 1.00 0.00 C ATOM 869 O TYR A 58 -6.482 0.954 8.465 1.00 0.00 O ATOM 870 CB TYR A 58 -4.148 -1.353 8.858 1.00 0.00 C ATOM 871 CG TYR A 58 -3.354 -0.549 7.826 1.00 0.00 C ATOM 872 CD1 TYR A 58 -3.485 0.824 7.772 1.00 0.00 C ATOM 873 CD2 TYR A 58 -2.509 -1.197 6.949 1.00 0.00 C ATOM 874 CE1 TYR A 58 -2.738 1.580 6.801 1.00 0.00 C ATOM 875 CE2 TYR A 58 -1.761 -0.441 5.978 1.00 0.00 C ATOM 876 CZ TYR A 58 -1.913 0.910 5.952 1.00 0.00 C ATOM 877 OH TYR A 58 -1.207 1.625 5.035 1.00 0.00 O ATOM 0 H TYR A 58 -5.275 -2.832 7.292 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.208 -1.266 9.605 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.907 -0.984 9.855 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.827 -2.394 8.818 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.148 1.331 8.458 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.408 -2.271 6.991 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.831 2.655 6.748 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.095 -0.936 5.287 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.320 1.225 4.921 1.00 0.00 H new ATOM 887 N ILE A 59 -5.782 -0.082 6.581 1.00 0.00 N ATOM 888 CA ILE A 59 -6.069 1.052 5.718 1.00 0.00 C ATOM 889 C ILE A 59 -7.558 1.392 5.809 1.00 0.00 C ATOM 890 O ILE A 59 -7.975 2.479 5.412 1.00 0.00 O ATOM 891 CB ILE A 59 -5.587 0.776 4.292 1.00 0.00 C ATOM 892 CG1 ILE A 59 -6.552 -0.156 3.558 1.00 0.00 C ATOM 893 CG2 ILE A 59 -4.155 0.235 4.293 1.00 0.00 C ATOM 894 CD1 ILE A 59 -7.504 0.637 2.661 1.00 0.00 C ATOM 0 H ILE A 59 -5.396 -0.896 6.102 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.519 1.933 6.050 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.574 1.720 3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.988 -0.868 2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.126 -0.735 4.282 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.836 0.047 3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.490 0.967 4.751 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.118 -0.695 4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.180 -0.049 2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.084 1.331 3.269 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.928 1.195 1.923 1.00 0.00 H new ATOM 906 N LEU A 60 -8.318 0.443 6.333 1.00 0.00 N ATOM 907 CA LEU A 60 -9.751 0.627 6.481 1.00 0.00 C ATOM 908 C LEU A 60 -10.017 1.912 7.268 1.00 0.00 C ATOM 909 O LEU A 60 -10.998 2.610 7.012 1.00 0.00 O ATOM 910 CB LEU A 60 -10.392 -0.617 7.100 1.00 0.00 C ATOM 911 CG LEU A 60 -11.878 -0.826 6.801 1.00 0.00 C ATOM 912 CD1 LEU A 60 -12.088 -1.269 5.351 1.00 0.00 C ATOM 913 CD2 LEU A 60 -12.505 -1.804 7.796 1.00 0.00 C ATOM 0 H LEU A 60 -7.968 -0.457 6.661 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.222 0.746 5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.845 -1.494 6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.263 -0.568 8.181 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.389 0.129 6.923 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.153 -1.411 5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.700 -0.505 4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.561 -2.207 5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.561 -1.935 7.561 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.997 -2.766 7.730 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.404 -1.409 8.807 1.00 0.00 H new ATOM 925 N LYS A 61 -9.127 2.187 8.210 1.00 0.00 N ATOM 926 CA LYS A 61 -9.252 3.375 9.036 1.00 0.00 C ATOM 927 C LYS A 61 -8.050 3.464 9.979 1.00 0.00 C ATOM 928 O LYS A 61 -7.551 4.556 10.251 1.00 0.00 O ATOM 929 CB LYS A 61 -10.602 3.386 9.757 1.00 0.00 C ATOM 930 CG LYS A 61 -10.693 2.241 10.768 1.00 0.00 C ATOM 931 CD LYS A 61 -11.006 0.916 10.070 1.00 0.00 C ATOM 932 CE LYS A 61 -12.031 0.107 10.864 1.00 0.00 C ATOM 933 NZ LYS A 61 -11.351 -0.866 11.750 1.00 0.00 N ATOM 0 H LYS A 61 -8.315 1.606 8.420 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.239 4.273 8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.737 4.339 10.268 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.408 3.298 9.029 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.752 2.156 11.312 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.468 2.461 11.503 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.388 1.110 9.068 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.090 0.336 9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.651 0.778 11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.697 -0.419 10.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.062 -1.407 12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.779 -1.517 11.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.734 -0.358 12.415 1.00 0.00 H new ATOM 947 N GLU A 62 -7.622 2.304 10.451 1.00 0.00 N ATOM 948 CA GLU A 62 -6.489 2.237 11.358 1.00 0.00 C ATOM 949 C GLU A 62 -5.295 2.994 10.772 1.00 0.00 C ATOM 950 O GLU A 62 -4.365 3.351 11.495 1.00 0.00 O ATOM 951 CB GLU A 62 -6.119 0.786 11.669 1.00 0.00 C ATOM 952 CG GLU A 62 -6.578 0.390 13.074 1.00 0.00 C ATOM 953 CD GLU A 62 -6.640 -1.131 13.223 1.00 0.00 C ATOM 954 OE1 GLU A 62 -7.202 -1.769 12.306 1.00 0.00 O ATOM 955 OE2 GLU A 62 -6.124 -1.621 14.250 1.00 0.00 O ATOM 0 H GLU A 62 -8.039 1.402 10.223 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.772 2.713 12.297 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.577 0.125 10.933 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.040 0.657 11.585 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.893 0.804 13.814 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.560 0.819 13.274 1.00 0.00 H new ATOM 962 N ILE A 63 -5.360 3.218 9.468 1.00 0.00 N ATOM 963 CA ILE A 63 -4.296 3.926 8.776 1.00 0.00 C ATOM 964 C ILE A 63 -3.687 4.968 9.717 1.00 0.00 C ATOM 965 O ILE A 63 -4.247 6.048 9.899 1.00 0.00 O ATOM 966 CB ILE A 63 -4.810 4.512 7.460 1.00 0.00 C ATOM 967 CG1 ILE A 63 -3.887 5.624 6.958 1.00 0.00 C ATOM 968 CG2 ILE A 63 -6.257 4.987 7.600 1.00 0.00 C ATOM 969 CD1 ILE A 63 -2.563 5.051 6.448 1.00 0.00 C ATOM 0 H ILE A 63 -6.133 2.922 8.872 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.497 3.238 8.501 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.802 3.723 6.708 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.380 6.177 6.158 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.694 6.333 7.764 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.598 5.399 6.650 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.891 4.145 7.879 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.315 5.756 8.371 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.926 5.863 6.097 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.061 4.520 7.257 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.757 4.362 5.626 1.00 0.00 H new ATOM 981 N ASP A 64 -2.548 4.607 10.290 1.00 0.00 N ATOM 982 CA ASP A 64 -1.858 5.497 11.207 1.00 0.00 C ATOM 983 C ASP A 64 -0.768 4.716 11.946 1.00 0.00 C ATOM 984 O ASP A 64 0.267 5.276 12.305 1.00 0.00 O ATOM 985 CB ASP A 64 -2.819 6.067 12.251 1.00 0.00 C ATOM 986 CG ASP A 64 -2.149 6.693 13.475 1.00 0.00 C ATOM 987 OD1 ASP A 64 -1.130 7.388 13.271 1.00 0.00 O ATOM 988 OD2 ASP A 64 -2.670 6.464 14.588 1.00 0.00 O ATOM 0 H ASP A 64 -2.086 3.711 10.137 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.431 6.314 10.625 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.445 6.821 11.773 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.481 5.269 12.587 1.00 0.00 H new ATOM 993 N THR A 65 -1.038 3.435 12.149 1.00 0.00 N ATOM 994 CA THR A 65 -0.094 2.571 12.838 1.00 0.00 C ATOM 995 C THR A 65 0.066 1.249 12.086 1.00 0.00 C ATOM 996 O THR A 65 1.181 0.757 11.918 1.00 0.00 O ATOM 997 CB THR A 65 -0.577 2.396 14.279 1.00 0.00 C ATOM 998 OG1 THR A 65 0.332 1.452 14.838 1.00 0.00 O ATOM 999 CG2 THR A 65 -1.937 1.698 14.360 1.00 0.00 C ATOM 0 H THR A 65 -1.897 2.974 11.848 1.00 0.00 H new ATOM 0 HA THR A 65 0.901 3.015 12.866 1.00 0.00 H new ATOM 0 HB THR A 65 -0.640 3.371 14.761 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.093 1.281 15.773 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.233 1.599 15.404 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.681 2.289 13.826 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.866 0.709 13.908 1.00 0.00 H new ATOM 1007 N LEU A 66 -1.065 0.711 11.653 1.00 0.00 N ATOM 1008 CA LEU A 66 -1.064 -0.545 10.923 1.00 0.00 C ATOM 1009 C LEU A 66 -0.615 -1.672 11.855 1.00 0.00 C ATOM 1010 O LEU A 66 0.544 -1.720 12.264 1.00 0.00 O ATOM 1011 CB LEU A 66 -0.221 -0.426 9.652 1.00 0.00 C ATOM 1012 CG LEU A 66 0.244 -1.744 9.028 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.348 -1.624 7.507 1.00 0.00 C ATOM 1014 CD2 LEU A 66 1.555 -2.217 9.658 1.00 0.00 C ATOM 0 H LEU A 66 -1.988 1.122 11.794 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.072 -0.791 10.588 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.798 0.122 8.907 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.659 0.176 9.879 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.507 -2.506 9.239 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.680 -2.574 7.089 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.628 -1.368 7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.066 -0.844 7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.863 -3.155 9.196 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.327 -1.464 9.500 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.411 -2.369 10.728 1.00 0.00 H new