USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=11 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 26 TYR OH : rot 80:sc= -5.57! USER MOD Set 1.2: A 36 THR OG1 : rot 48:sc= 1.15 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 130:sc= -0.504 USER MOD Single : A 10 ASN : amide:sc= -2.05! C(o=-2!,f=-9!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -12.8! C(o=-13!,f=-21!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 12:sc= 0.644! USER MOD Single : A 35 ASN : amide:sc= -0.179 K(o=-0.18,f=-0.89) USER MOD Single : A 38 ASN : amide:sc= -5.54! C(o=-5.5!,f=-6.1!) USER MOD Single : A 42 ASN : amide:sc= -9.11! C(o=-9.1!,f=-13!) USER MOD Single : A 48 ASN : amide:sc= -5.3! C(o=-5.3!,f=-16!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 133:sc= -0.505 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 -0.811 11.585 8.113 1.00 0.00 N ATOM 44 CA LYS A 4 -0.687 10.176 8.439 1.00 0.00 C ATOM 45 C LYS A 4 -0.863 9.345 7.167 1.00 0.00 C ATOM 46 O LYS A 4 -1.884 9.448 6.489 1.00 0.00 O ATOM 47 CB LYS A 4 -1.659 9.798 9.560 1.00 0.00 C ATOM 48 CG LYS A 4 -0.979 9.884 10.928 1.00 0.00 C ATOM 49 CD LYS A 4 -1.676 8.978 11.945 1.00 0.00 C ATOM 50 CE LYS A 4 -1.496 9.511 13.367 1.00 0.00 C ATOM 51 NZ LYS A 4 -0.555 8.655 14.125 1.00 0.00 N ATOM 0 HA LYS A 4 0.309 9.961 8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.523 10.463 9.537 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.031 8.786 9.398 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.068 9.596 10.836 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.996 10.915 11.282 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.738 8.911 11.710 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.270 7.969 11.877 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.121 10.534 13.334 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.460 9.541 13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.443 9.030 15.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.929 7.686 14.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.369 8.647 13.647 1.00 0.00 H new ATOM 65 N LEU A 5 0.149 8.538 6.880 1.00 0.00 N ATOM 66 CA LEU A 5 0.119 7.689 5.700 1.00 0.00 C ATOM 67 C LEU A 5 1.341 6.771 5.708 1.00 0.00 C ATOM 68 O LEU A 5 2.404 7.149 6.198 1.00 0.00 O ATOM 69 CB LEU A 5 -0.006 8.539 4.433 1.00 0.00 C ATOM 70 CG LEU A 5 1.201 9.416 4.093 1.00 0.00 C ATOM 71 CD1 LEU A 5 0.938 10.245 2.834 1.00 0.00 C ATOM 72 CD2 LEU A 5 1.595 10.292 5.284 1.00 0.00 C ATOM 0 H LEU A 5 0.995 8.454 7.444 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.762 7.047 5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.196 7.874 3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.880 9.182 4.535 1.00 0.00 H new ATOM 0 HG LEU A 5 2.048 8.764 3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.811 10.859 2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.742 9.579 1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.073 10.888 2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.455 10.905 5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.759 10.938 5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.852 9.658 6.133 1.00 0.00 H new ATOM 84 N TYR A 6 1.150 5.579 5.159 1.00 0.00 N ATOM 85 CA TYR A 6 2.224 4.603 5.095 1.00 0.00 C ATOM 86 C TYR A 6 2.065 3.693 3.877 1.00 0.00 C ATOM 87 O TYR A 6 1.087 2.954 3.772 1.00 0.00 O ATOM 88 CB TYR A 6 2.102 3.761 6.367 1.00 0.00 C ATOM 89 CG TYR A 6 3.284 2.817 6.602 1.00 0.00 C ATOM 90 CD1 TYR A 6 4.540 3.332 6.848 1.00 0.00 C ATOM 91 CD2 TYR A 6 3.092 1.451 6.570 1.00 0.00 C ATOM 92 CE1 TYR A 6 5.652 2.444 7.071 1.00 0.00 C ATOM 93 CE2 TYR A 6 4.204 0.563 6.792 1.00 0.00 C ATOM 94 CZ TYR A 6 5.429 1.103 7.032 1.00 0.00 C ATOM 95 OH TYR A 6 6.479 0.265 7.242 1.00 0.00 O ATOM 0 H TYR A 6 0.267 5.268 4.755 1.00 0.00 H new ATOM 0 HA TYR A 6 3.191 5.099 5.013 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.006 4.427 7.224 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.185 3.174 6.316 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.690 4.401 6.873 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.108 1.048 6.379 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.640 2.834 7.265 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.068 -0.508 6.768 1.00 0.00 H new ATOM 0 HH TYR A 6 6.236 -0.401 7.918 1.00 0.00 H new ATOM 105 N GLY A 7 3.043 3.774 2.986 1.00 0.00 N ATOM 106 CA GLY A 7 3.025 2.966 1.778 1.00 0.00 C ATOM 107 C GLY A 7 2.025 3.522 0.762 1.00 0.00 C ATOM 108 O GLY A 7 1.092 2.829 0.360 1.00 0.00 O ATOM 0 H GLY A 7 3.853 4.387 3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.022 2.942 1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.762 1.938 2.028 1.00 0.00 H new ATOM 112 N ASP A 8 2.256 4.768 0.374 1.00 0.00 N ATOM 113 CA ASP A 8 1.387 5.424 -0.588 1.00 0.00 C ATOM 114 C ASP A 8 1.914 5.169 -2.001 1.00 0.00 C ATOM 115 O ASP A 8 3.117 5.010 -2.200 1.00 0.00 O ATOM 116 CB ASP A 8 1.359 6.937 -0.360 1.00 0.00 C ATOM 117 CG ASP A 8 0.010 7.607 -0.631 1.00 0.00 C ATOM 118 OD1 ASP A 8 -0.785 6.999 -1.380 1.00 0.00 O ATOM 119 OD2 ASP A 8 -0.196 8.711 -0.082 1.00 0.00 O ATOM 0 H ASP A 8 3.032 5.340 0.708 1.00 0.00 H new ATOM 0 HA ASP A 8 0.382 5.021 -0.465 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.647 7.139 0.672 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.112 7.399 -0.998 1.00 0.00 H new ATOM 124 N VAL A 9 0.986 5.137 -2.946 1.00 0.00 N ATOM 125 CA VAL A 9 1.342 4.903 -4.336 1.00 0.00 C ATOM 126 C VAL A 9 1.378 6.239 -5.080 1.00 0.00 C ATOM 127 O VAL A 9 2.412 6.621 -5.627 1.00 0.00 O ATOM 128 CB VAL A 9 0.373 3.896 -4.962 1.00 0.00 C ATOM 129 CG1 VAL A 9 0.618 3.764 -6.467 1.00 0.00 C ATOM 130 CG2 VAL A 9 0.473 2.536 -4.268 1.00 0.00 C ATOM 0 H VAL A 9 -0.011 5.269 -2.777 1.00 0.00 H new ATOM 0 HA VAL A 9 2.337 4.464 -4.407 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.640 4.271 -4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.083 3.043 -6.888 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.473 4.733 -6.946 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.638 3.422 -6.641 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.225 1.839 -4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.488 2.151 -4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.227 2.647 -3.212 1.00 0.00 H new ATOM 140 N ASN A 10 0.237 6.912 -5.080 1.00 0.00 N ATOM 141 CA ASN A 10 0.126 8.198 -5.748 1.00 0.00 C ATOM 142 C ASN A 10 0.098 9.312 -4.700 1.00 0.00 C ATOM 143 O ASN A 10 -0.472 10.377 -4.936 1.00 0.00 O ATOM 144 CB ASN A 10 -1.165 8.284 -6.565 1.00 0.00 C ATOM 145 CG ASN A 10 -2.329 7.623 -5.823 1.00 0.00 C ATOM 146 OD1 ASN A 10 -2.450 7.702 -4.612 1.00 0.00 O ATOM 147 ND2 ASN A 10 -3.173 6.969 -6.614 1.00 0.00 N ATOM 0 H ASN A 10 -0.619 6.591 -4.628 1.00 0.00 H new ATOM 0 HA ASN A 10 0.982 8.307 -6.414 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.403 9.328 -6.766 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.022 7.798 -7.530 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.982 6.493 -6.214 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.012 6.943 -7.621 1.00 0.00 H new ATOM 154 N ASP A 11 0.718 9.029 -3.564 1.00 0.00 N ATOM 155 CA ASP A 11 0.770 9.994 -2.479 1.00 0.00 C ATOM 156 C ASP A 11 -0.639 10.520 -2.201 1.00 0.00 C ATOM 157 O ASP A 11 -0.839 11.725 -2.052 1.00 0.00 O ATOM 158 CB ASP A 11 1.656 11.187 -2.845 1.00 0.00 C ATOM 159 CG ASP A 11 3.159 10.899 -2.849 1.00 0.00 C ATOM 160 OD1 ASP A 11 3.665 10.511 -1.774 1.00 0.00 O ATOM 161 OD2 ASP A 11 3.768 11.074 -3.926 1.00 0.00 O ATOM 0 H ASP A 11 1.189 8.145 -3.371 1.00 0.00 H new ATOM 0 HA ASP A 11 1.182 9.494 -1.603 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.367 11.545 -3.833 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.458 11.996 -2.142 1.00 0.00 H new ATOM 166 N ASP A 12 -1.581 9.591 -2.138 1.00 0.00 N ATOM 167 CA ASP A 12 -2.966 9.945 -1.881 1.00 0.00 C ATOM 168 C ASP A 12 -3.291 9.679 -0.410 1.00 0.00 C ATOM 169 O ASP A 12 -3.755 10.572 0.299 1.00 0.00 O ATOM 170 CB ASP A 12 -3.918 9.104 -2.734 1.00 0.00 C ATOM 171 CG ASP A 12 -5.373 9.094 -2.261 1.00 0.00 C ATOM 172 OD1 ASP A 12 -6.025 10.150 -2.409 1.00 0.00 O ATOM 173 OD2 ASP A 12 -5.801 8.030 -1.762 1.00 0.00 O ATOM 0 H ASP A 12 -1.412 8.593 -2.261 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.096 10.999 -2.128 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.887 9.475 -3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.552 8.078 -2.756 1.00 0.00 H new ATOM 178 N GLY A 13 -3.035 8.448 0.007 1.00 0.00 N ATOM 179 CA GLY A 13 -3.294 8.053 1.381 1.00 0.00 C ATOM 180 C GLY A 13 -2.487 6.809 1.756 1.00 0.00 C ATOM 181 O GLY A 13 -1.920 6.737 2.846 1.00 0.00 O ATOM 0 H GLY A 13 -2.650 7.710 -0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.039 8.872 2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.358 7.854 1.511 1.00 0.00 H new ATOM 185 N LYS A 14 -2.459 5.860 0.832 1.00 0.00 N ATOM 186 CA LYS A 14 -1.730 4.622 1.052 1.00 0.00 C ATOM 187 C LYS A 14 -1.799 3.764 -0.213 1.00 0.00 C ATOM 188 O LYS A 14 -2.285 4.215 -1.248 1.00 0.00 O ATOM 189 CB LYS A 14 -2.246 3.912 2.306 1.00 0.00 C ATOM 190 CG LYS A 14 -3.767 4.033 2.418 1.00 0.00 C ATOM 191 CD LYS A 14 -4.164 4.810 3.674 1.00 0.00 C ATOM 192 CE LYS A 14 -5.480 5.563 3.460 1.00 0.00 C ATOM 193 NZ LYS A 14 -5.498 6.810 4.258 1.00 0.00 N ATOM 0 H LYS A 14 -2.929 5.923 -0.071 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.677 4.828 1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.963 2.860 2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.777 4.343 3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.161 4.536 1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.213 3.039 2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.266 4.123 4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.375 5.516 3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.604 5.799 2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.319 4.929 3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.397 7.309 4.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.402 6.578 5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.708 7.420 3.966 1.00 0.00 H new ATOM 207 N VAL A 15 -1.306 2.541 -0.087 1.00 0.00 N ATOM 208 CA VAL A 15 -1.304 1.615 -1.206 1.00 0.00 C ATOM 209 C VAL A 15 -2.286 0.477 -0.923 1.00 0.00 C ATOM 210 O VAL A 15 -1.988 -0.427 -0.142 1.00 0.00 O ATOM 211 CB VAL A 15 0.119 1.123 -1.478 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.679 0.373 -0.268 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.168 0.250 -2.734 1.00 0.00 C ATOM 0 H VAL A 15 -0.905 2.170 0.774 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.639 2.115 -2.115 1.00 0.00 H new ATOM 0 HB VAL A 15 0.747 1.996 -1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.691 0.034 -0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.698 1.038 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.047 -0.488 -0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.191 -0.086 -2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.481 -0.616 -2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.171 0.829 -3.593 1.00 0.00 H new ATOM 223 N ASN A 16 -3.439 0.557 -1.572 1.00 0.00 N ATOM 224 CA ASN A 16 -4.467 -0.456 -1.398 1.00 0.00 C ATOM 225 C ASN A 16 -5.205 -0.658 -2.724 1.00 0.00 C ATOM 226 O ASN A 16 -4.695 -0.301 -3.784 1.00 0.00 O ATOM 227 CB ASN A 16 -5.492 -0.026 -0.348 1.00 0.00 C ATOM 228 CG ASN A 16 -4.975 1.159 0.470 1.00 0.00 C ATOM 229 OD1 ASN A 16 -4.539 1.024 1.602 1.00 0.00 O ATOM 230 ND2 ASN A 16 -5.047 2.327 -0.164 1.00 0.00 N ATOM 0 H ASN A 16 -3.684 1.307 -2.219 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.983 -1.377 -1.073 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.427 0.246 -0.838 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.711 -0.863 0.316 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.726 3.178 0.297 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.423 2.371 -1.111 1.00 0.00 H new ATOM 237 N SER A 17 -6.395 -1.231 -2.619 1.00 0.00 N ATOM 238 CA SER A 17 -7.208 -1.486 -3.796 1.00 0.00 C ATOM 239 C SER A 17 -7.520 -0.170 -4.511 1.00 0.00 C ATOM 240 O SER A 17 -7.954 -0.172 -5.663 1.00 0.00 O ATOM 241 CB SER A 17 -8.505 -2.209 -3.424 1.00 0.00 C ATOM 242 OG SER A 17 -9.439 -2.218 -4.500 1.00 0.00 O ATOM 0 H SER A 17 -6.815 -1.526 -1.738 1.00 0.00 H new ATOM 0 HA SER A 17 -6.644 -2.133 -4.468 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.278 -3.234 -3.133 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.955 -1.724 -2.558 1.00 0.00 H new ATOM 0 HG SER A 17 -10.252 -2.690 -4.223 1.00 0.00 H new ATOM 248 N THR A 18 -7.290 0.922 -3.799 1.00 0.00 N ATOM 249 CA THR A 18 -7.540 2.243 -4.351 1.00 0.00 C ATOM 250 C THR A 18 -6.444 2.620 -5.350 1.00 0.00 C ATOM 251 O THR A 18 -6.730 3.174 -6.410 1.00 0.00 O ATOM 252 CB THR A 18 -7.666 3.227 -3.186 1.00 0.00 C ATOM 253 OG1 THR A 18 -8.881 2.852 -2.545 1.00 0.00 O ATOM 254 CG2 THR A 18 -7.918 4.661 -3.655 1.00 0.00 C ATOM 0 H THR A 18 -6.933 0.920 -2.844 1.00 0.00 H new ATOM 0 HA THR A 18 -8.472 2.266 -4.916 1.00 0.00 H new ATOM 0 HB THR A 18 -6.757 3.197 -2.586 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.040 3.438 -1.776 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.999 5.318 -2.789 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.090 4.989 -4.283 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.845 4.699 -4.228 1.00 0.00 H new ATOM 262 N ASP A 19 -5.213 2.306 -4.975 1.00 0.00 N ATOM 263 CA ASP A 19 -4.073 2.606 -5.825 1.00 0.00 C ATOM 264 C ASP A 19 -3.628 1.330 -6.542 1.00 0.00 C ATOM 265 O ASP A 19 -2.462 1.195 -6.912 1.00 0.00 O ATOM 266 CB ASP A 19 -2.892 3.122 -5.000 1.00 0.00 C ATOM 267 CG ASP A 19 -3.054 4.543 -4.458 1.00 0.00 C ATOM 268 OD1 ASP A 19 -3.944 5.250 -4.977 1.00 0.00 O ATOM 269 OD2 ASP A 19 -2.283 4.890 -3.537 1.00 0.00 O ATOM 0 H ASP A 19 -4.980 1.847 -4.094 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.376 3.372 -6.539 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.731 2.445 -4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.994 3.085 -5.616 1.00 0.00 H new ATOM 274 N ALA A 20 -4.579 0.424 -6.717 1.00 0.00 N ATOM 275 CA ALA A 20 -4.300 -0.837 -7.383 1.00 0.00 C ATOM 276 C ALA A 20 -3.981 -0.570 -8.856 1.00 0.00 C ATOM 277 O ALA A 20 -3.308 -1.371 -9.503 1.00 0.00 O ATOM 278 CB ALA A 20 -5.489 -1.782 -7.206 1.00 0.00 C ATOM 0 H ALA A 20 -5.545 0.538 -6.409 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.430 -1.322 -6.939 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.280 -2.728 -7.706 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.656 -1.962 -6.144 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.380 -1.331 -7.642 1.00 0.00 H new ATOM 284 N VAL A 21 -4.478 0.557 -9.341 1.00 0.00 N ATOM 285 CA VAL A 21 -4.255 0.939 -10.726 1.00 0.00 C ATOM 286 C VAL A 21 -2.751 0.963 -11.006 1.00 0.00 C ATOM 287 O VAL A 21 -2.265 0.228 -11.866 1.00 0.00 O ATOM 288 CB VAL A 21 -4.938 2.276 -11.017 1.00 0.00 C ATOM 289 CG1 VAL A 21 -4.339 2.939 -12.259 1.00 0.00 C ATOM 290 CG2 VAL A 21 -6.450 2.099 -11.165 1.00 0.00 C ATOM 0 H VAL A 21 -5.035 1.219 -8.800 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.701 0.208 -11.401 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.760 2.935 -10.167 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.843 3.888 -12.444 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.276 3.118 -12.099 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.471 2.284 -13.120 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.911 3.065 -11.371 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.657 1.415 -11.988 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.861 1.691 -10.241 1.00 0.00 H new ATOM 300 N ALA A 22 -2.056 1.814 -10.267 1.00 0.00 N ATOM 301 CA ALA A 22 -0.617 1.943 -10.426 1.00 0.00 C ATOM 302 C ALA A 22 0.062 0.660 -9.941 1.00 0.00 C ATOM 303 O ALA A 22 1.148 0.315 -10.406 1.00 0.00 O ATOM 304 CB ALA A 22 -0.129 3.181 -9.671 1.00 0.00 C ATOM 0 H ALA A 22 -2.462 2.422 -9.556 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.357 2.078 -11.476 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.950 3.278 -9.790 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.619 4.068 -10.072 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.370 3.080 -8.613 1.00 0.00 H new ATOM 310 N LEU A 23 -0.605 -0.011 -9.014 1.00 0.00 N ATOM 311 CA LEU A 23 -0.080 -1.249 -8.463 1.00 0.00 C ATOM 312 C LEU A 23 0.078 -2.276 -9.585 1.00 0.00 C ATOM 313 O LEU A 23 1.183 -2.750 -9.846 1.00 0.00 O ATOM 314 CB LEU A 23 -0.955 -1.733 -7.304 1.00 0.00 C ATOM 315 CG LEU A 23 -0.225 -2.448 -6.165 1.00 0.00 C ATOM 316 CD1 LEU A 23 0.836 -3.406 -6.710 1.00 0.00 C ATOM 317 CD2 LEU A 23 0.366 -1.441 -5.177 1.00 0.00 C ATOM 0 H LEU A 23 -1.504 0.279 -8.630 1.00 0.00 H new ATOM 0 HA LEU A 23 0.911 -1.087 -8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.481 -0.873 -6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.712 -2.408 -7.704 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.951 -3.049 -5.618 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.340 -3.901 -5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.360 -4.154 -7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.565 -2.846 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.879 -1.975 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.075 -0.795 -5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.434 -0.835 -4.753 1.00 0.00 H new ATOM 329 N LYS A 24 -1.042 -2.591 -10.219 1.00 0.00 N ATOM 330 CA LYS A 24 -1.041 -3.553 -11.307 1.00 0.00 C ATOM 331 C LYS A 24 0.069 -3.195 -12.298 1.00 0.00 C ATOM 332 O LYS A 24 0.752 -4.078 -12.814 1.00 0.00 O ATOM 333 CB LYS A 24 -2.430 -3.642 -11.945 1.00 0.00 C ATOM 334 CG LYS A 24 -2.490 -4.776 -12.970 1.00 0.00 C ATOM 335 CD LYS A 24 -3.870 -5.438 -12.975 1.00 0.00 C ATOM 336 CE LYS A 24 -3.893 -6.649 -13.909 1.00 0.00 C ATOM 337 NZ LYS A 24 -5.214 -7.315 -13.860 1.00 0.00 N ATOM 0 H LYS A 24 -1.957 -2.197 -10.000 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.823 -4.553 -10.931 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.180 -3.806 -11.171 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.673 -2.696 -12.429 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.266 -4.386 -13.963 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.727 -5.520 -12.740 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.132 -5.749 -11.964 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.623 -4.716 -13.291 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.676 -6.333 -14.929 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.113 -7.353 -13.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.213 -8.135 -14.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.406 -7.633 -12.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.952 -6.645 -14.157 1.00 0.00 H new ATOM 351 N ARG A 25 0.213 -1.900 -12.533 1.00 0.00 N ATOM 352 CA ARG A 25 1.228 -1.415 -13.453 1.00 0.00 C ATOM 353 C ARG A 25 2.625 -1.743 -12.921 1.00 0.00 C ATOM 354 O ARG A 25 3.559 -1.937 -13.699 1.00 0.00 O ATOM 355 CB ARG A 25 1.109 0.097 -13.658 1.00 0.00 C ATOM 356 CG ARG A 25 0.205 0.418 -14.849 1.00 0.00 C ATOM 357 CD ARG A 25 -0.849 1.462 -14.471 1.00 0.00 C ATOM 358 NE ARG A 25 -0.942 2.493 -15.528 1.00 0.00 N ATOM 359 CZ ARG A 25 -1.540 2.302 -16.713 1.00 0.00 C ATOM 360 NH1 ARG A 25 -2.100 1.119 -16.997 1.00 0.00 N ATOM 361 NH2 ARG A 25 -1.578 3.294 -17.612 1.00 0.00 N ATOM 0 H ARG A 25 -0.356 -1.171 -12.103 1.00 0.00 H new ATOM 0 HA ARG A 25 1.074 -1.912 -14.411 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.707 0.559 -12.757 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.098 0.525 -13.822 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.808 0.788 -15.678 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.286 -0.492 -15.193 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.817 0.980 -14.335 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.588 1.927 -13.520 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.525 3.406 -15.344 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.072 0.364 -16.312 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.555 0.973 -17.898 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.152 4.195 -17.395 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.033 3.148 -18.513 1.00 0.00 H new ATOM 375 N TYR A 26 2.725 -1.794 -11.602 1.00 0.00 N ATOM 376 CA TYR A 26 3.992 -2.096 -10.958 1.00 0.00 C ATOM 377 C TYR A 26 4.281 -3.598 -10.990 1.00 0.00 C ATOM 378 O TYR A 26 5.366 -4.016 -11.390 1.00 0.00 O ATOM 379 CB TYR A 26 3.842 -1.649 -9.502 1.00 0.00 C ATOM 380 CG TYR A 26 5.169 -1.341 -8.805 1.00 0.00 C ATOM 381 CD1 TYR A 26 6.127 -2.326 -8.681 1.00 0.00 C ATOM 382 CD2 TYR A 26 5.407 -0.079 -8.302 1.00 0.00 C ATOM 383 CE1 TYR A 26 7.376 -2.037 -8.026 1.00 0.00 C ATOM 384 CE2 TYR A 26 6.656 0.210 -7.646 1.00 0.00 C ATOM 385 CZ TYR A 26 7.580 -0.783 -7.540 1.00 0.00 C ATOM 386 OH TYR A 26 8.758 -0.510 -6.921 1.00 0.00 O ATOM 0 H TYR A 26 1.949 -1.631 -10.960 1.00 0.00 H new ATOM 0 HA TYR A 26 4.811 -1.591 -11.469 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.211 -0.761 -9.469 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.323 -2.429 -8.945 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.940 -3.314 -9.075 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.657 0.692 -8.400 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.134 -2.799 -7.923 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.855 1.194 -7.247 1.00 0.00 H new ATOM 0 HH TYR A 26 9.451 -0.346 -7.594 1.00 0.00 H new ATOM 396 N VAL A 27 3.290 -4.367 -10.566 1.00 0.00 N ATOM 397 CA VAL A 27 3.424 -5.814 -10.542 1.00 0.00 C ATOM 398 C VAL A 27 3.917 -6.300 -11.905 1.00 0.00 C ATOM 399 O VAL A 27 4.866 -7.080 -11.986 1.00 0.00 O ATOM 400 CB VAL A 27 2.100 -6.456 -10.122 1.00 0.00 C ATOM 401 CG1 VAL A 27 2.285 -7.942 -9.809 1.00 0.00 C ATOM 402 CG2 VAL A 27 1.485 -5.717 -8.931 1.00 0.00 C ATOM 0 H VAL A 27 2.391 -4.016 -10.236 1.00 0.00 H new ATOM 0 HA VAL A 27 4.165 -6.115 -9.802 1.00 0.00 H new ATOM 0 HB VAL A 27 1.408 -6.374 -10.960 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.329 -8.373 -9.513 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.657 -8.457 -10.695 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.002 -8.056 -8.996 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.545 -6.194 -8.653 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.173 -5.752 -8.086 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.298 -4.678 -9.204 1.00 0.00 H new ATOM 412 N LEU A 28 3.253 -5.818 -12.946 1.00 0.00 N ATOM 413 CA LEU A 28 3.611 -6.192 -14.302 1.00 0.00 C ATOM 414 C LEU A 28 5.068 -5.806 -14.565 1.00 0.00 C ATOM 415 O LEU A 28 5.806 -6.550 -15.210 1.00 0.00 O ATOM 416 CB LEU A 28 2.625 -5.590 -15.304 1.00 0.00 C ATOM 417 CG LEU A 28 1.747 -6.586 -16.065 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.511 -5.897 -16.645 1.00 0.00 C ATOM 419 CD2 LEU A 28 2.553 -7.318 -17.139 1.00 0.00 C ATOM 0 H LEU A 28 2.468 -5.171 -12.876 1.00 0.00 H new ATOM 0 HA LEU A 28 3.538 -7.272 -14.430 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.975 -4.896 -14.771 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.188 -5.004 -16.030 1.00 0.00 H new ATOM 0 HG LEU A 28 1.394 -7.338 -15.359 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.095 -6.628 -17.181 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.076 -5.461 -15.836 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.822 -5.110 -17.332 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.905 -8.020 -17.665 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.956 -6.595 -17.848 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.373 -7.862 -16.671 1.00 0.00 H new ATOM 431 N ARG A 29 5.439 -4.642 -14.052 1.00 0.00 N ATOM 432 CA ARG A 29 6.795 -4.147 -14.223 1.00 0.00 C ATOM 433 C ARG A 29 6.913 -2.723 -13.675 1.00 0.00 C ATOM 434 O ARG A 29 5.913 -2.114 -13.298 1.00 0.00 O ATOM 435 CB ARG A 29 7.201 -4.154 -15.698 1.00 0.00 C ATOM 436 CG ARG A 29 6.177 -3.406 -16.553 1.00 0.00 C ATOM 437 CD ARG A 29 6.285 -1.895 -16.341 1.00 0.00 C ATOM 438 NE ARG A 29 6.193 -1.193 -17.641 1.00 0.00 N ATOM 439 CZ ARG A 29 7.130 -1.259 -18.598 1.00 0.00 C ATOM 440 NH1 ARG A 29 8.234 -1.994 -18.406 1.00 0.00 N ATOM 441 NH2 ARG A 29 6.961 -0.590 -19.747 1.00 0.00 N ATOM 0 H ARG A 29 4.825 -4.027 -13.518 1.00 0.00 H new ATOM 0 HA ARG A 29 7.462 -4.809 -13.671 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.181 -3.691 -15.811 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.291 -5.182 -16.049 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.335 -3.641 -17.605 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.171 -3.742 -16.299 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.490 -1.555 -15.678 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.230 -1.654 -15.855 1.00 0.00 H new ATOM 0 HE ARG A 29 5.366 -0.624 -17.820 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.362 -2.504 -17.532 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.946 -2.044 -19.134 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.120 -0.031 -19.893 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.673 -0.640 -20.476 1.00 0.00 H new ATOM 455 N SER A 30 8.145 -2.234 -13.648 1.00 0.00 N ATOM 456 CA SER A 30 8.406 -0.894 -13.152 1.00 0.00 C ATOM 457 C SER A 30 8.242 0.124 -14.283 1.00 0.00 C ATOM 458 O SER A 30 9.075 0.193 -15.186 1.00 0.00 O ATOM 459 CB SER A 30 9.809 -0.794 -12.548 1.00 0.00 C ATOM 460 OG SER A 30 10.087 -1.876 -11.663 1.00 0.00 O ATOM 0 H SER A 30 8.972 -2.742 -13.961 1.00 0.00 H new ATOM 0 HA SER A 30 7.684 -0.674 -12.366 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.548 -0.781 -13.349 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.906 0.149 -12.010 1.00 0.00 H new ATOM 0 HG SER A 30 10.992 -1.777 -11.300 1.00 0.00 H new ATOM 466 N GLY A 31 7.164 0.888 -14.196 1.00 0.00 N ATOM 467 CA GLY A 31 6.880 1.899 -15.201 1.00 0.00 C ATOM 468 C GLY A 31 6.605 3.256 -14.551 1.00 0.00 C ATOM 469 O GLY A 31 7.377 4.198 -14.723 1.00 0.00 O ATOM 0 H GLY A 31 6.476 0.828 -13.445 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.724 1.984 -15.885 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.018 1.595 -15.795 1.00 0.00 H new ATOM 473 N ILE A 32 5.503 3.312 -13.817 1.00 0.00 N ATOM 474 CA ILE A 32 5.117 4.539 -13.140 1.00 0.00 C ATOM 475 C ILE A 32 6.038 4.766 -11.941 1.00 0.00 C ATOM 476 O ILE A 32 6.913 3.947 -11.661 1.00 0.00 O ATOM 477 CB ILE A 32 3.631 4.505 -12.776 1.00 0.00 C ATOM 478 CG1 ILE A 32 3.391 3.657 -11.526 1.00 0.00 C ATOM 479 CG2 ILE A 32 2.787 4.031 -13.962 1.00 0.00 C ATOM 480 CD1 ILE A 32 3.510 2.166 -11.844 1.00 0.00 C ATOM 0 H ILE A 32 4.866 2.528 -13.676 1.00 0.00 H new ATOM 0 HA ILE A 32 5.240 5.395 -13.803 1.00 0.00 H new ATOM 0 HB ILE A 32 3.314 5.521 -12.540 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.113 3.927 -10.755 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.400 3.869 -11.123 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.735 4.016 -13.677 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.926 4.711 -14.802 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.099 3.028 -14.252 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.335 1.586 -10.938 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.771 1.895 -12.597 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.509 1.954 -12.223 1.00 0.00 H new ATOM 492 N SER A 33 5.811 5.882 -11.264 1.00 0.00 N ATOM 493 CA SER A 33 6.610 6.227 -10.100 1.00 0.00 C ATOM 494 C SER A 33 5.735 6.227 -8.845 1.00 0.00 C ATOM 495 O SER A 33 4.767 6.981 -8.759 1.00 0.00 O ATOM 496 CB SER A 33 7.282 7.591 -10.278 1.00 0.00 C ATOM 497 OG SER A 33 6.360 8.665 -10.114 1.00 0.00 O ATOM 0 H SER A 33 5.085 6.559 -11.499 1.00 0.00 H new ATOM 0 HA SER A 33 7.393 5.477 -9.989 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.091 7.694 -9.555 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.732 7.647 -11.269 1.00 0.00 H new ATOM 0 HG SER A 33 5.523 8.323 -9.737 1.00 0.00 H new ATOM 503 N ILE A 34 6.107 5.372 -7.904 1.00 0.00 N ATOM 504 CA ILE A 34 5.368 5.264 -6.657 1.00 0.00 C ATOM 505 C ILE A 34 6.353 5.143 -5.494 1.00 0.00 C ATOM 506 O ILE A 34 7.561 5.041 -5.706 1.00 0.00 O ATOM 507 CB ILE A 34 4.359 4.115 -6.730 1.00 0.00 C ATOM 508 CG1 ILE A 34 5.073 2.768 -6.863 1.00 0.00 C ATOM 509 CG2 ILE A 34 3.350 4.343 -7.858 1.00 0.00 C ATOM 510 CD1 ILE A 34 4.247 1.646 -6.228 1.00 0.00 C ATOM 0 H ILE A 34 6.910 4.748 -7.980 1.00 0.00 H new ATOM 0 HA ILE A 34 4.779 6.165 -6.484 1.00 0.00 H new ATOM 0 HB ILE A 34 3.798 4.092 -5.796 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.246 2.546 -7.916 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.050 2.821 -6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.645 3.513 -7.888 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.809 5.272 -7.680 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.877 4.407 -8.810 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.776 0.699 -6.336 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.096 1.859 -5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.280 1.580 -6.726 1.00 0.00 H new ATOM 522 N ASN A 35 5.803 5.158 -4.289 1.00 0.00 N ATOM 523 CA ASN A 35 6.619 5.052 -3.091 1.00 0.00 C ATOM 524 C ASN A 35 6.694 3.586 -2.660 1.00 0.00 C ATOM 525 O ASN A 35 6.470 3.266 -1.493 1.00 0.00 O ATOM 526 CB ASN A 35 6.011 5.853 -1.939 1.00 0.00 C ATOM 527 CG ASN A 35 5.463 7.194 -2.430 1.00 0.00 C ATOM 528 OD1 ASN A 35 6.118 8.221 -2.371 1.00 0.00 O ATOM 529 ND2 ASN A 35 4.229 7.127 -2.920 1.00 0.00 N ATOM 0 H ASN A 35 4.801 5.242 -4.116 1.00 0.00 H new ATOM 0 HA ASN A 35 7.609 5.445 -3.320 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.210 5.277 -1.475 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.767 6.024 -1.172 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.775 7.968 -3.276 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.736 6.234 -2.940 1.00 0.00 H new ATOM 536 N THR A 36 7.011 2.734 -3.623 1.00 0.00 N ATOM 537 CA THR A 36 7.120 1.309 -3.358 1.00 0.00 C ATOM 538 C THR A 36 7.903 1.066 -2.067 1.00 0.00 C ATOM 539 O THR A 36 7.731 0.035 -1.418 1.00 0.00 O ATOM 540 CB THR A 36 7.749 0.647 -4.585 1.00 0.00 C ATOM 541 OG1 THR A 36 8.371 -0.527 -4.065 1.00 0.00 O ATOM 542 CG2 THR A 36 8.911 1.460 -5.159 1.00 0.00 C ATOM 0 H THR A 36 7.196 3.003 -4.589 1.00 0.00 H new ATOM 0 HA THR A 36 6.140 0.860 -3.196 1.00 0.00 H new ATOM 0 HB THR A 36 6.988 0.510 -5.353 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.740 -1.001 -3.484 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.321 0.945 -6.028 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.553 2.446 -5.456 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.688 1.569 -4.402 1.00 0.00 H new ATOM 550 N ASP A 37 8.744 2.032 -1.732 1.00 0.00 N ATOM 551 CA ASP A 37 9.555 1.935 -0.530 1.00 0.00 C ATOM 552 C ASP A 37 8.647 1.665 0.671 1.00 0.00 C ATOM 553 O ASP A 37 8.594 0.543 1.175 1.00 0.00 O ATOM 554 CB ASP A 37 10.309 3.241 -0.267 1.00 0.00 C ATOM 555 CG ASP A 37 11.724 3.297 -0.843 1.00 0.00 C ATOM 556 OD1 ASP A 37 12.545 2.456 -0.416 1.00 0.00 O ATOM 557 OD2 ASP A 37 11.954 4.179 -1.699 1.00 0.00 O ATOM 0 H ASP A 37 8.882 2.886 -2.272 1.00 0.00 H new ATOM 0 HA ASP A 37 10.272 1.126 -0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.731 4.067 -0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.365 3.400 0.810 1.00 0.00 H new ATOM 562 N ASN A 38 7.953 2.711 1.097 1.00 0.00 N ATOM 563 CA ASN A 38 7.049 2.600 2.229 1.00 0.00 C ATOM 564 C ASN A 38 5.917 1.631 1.880 1.00 0.00 C ATOM 565 O ASN A 38 5.314 1.030 2.767 1.00 0.00 O ATOM 566 CB ASN A 38 6.425 3.954 2.570 1.00 0.00 C ATOM 567 CG ASN A 38 6.234 4.104 4.081 1.00 0.00 C ATOM 568 OD1 ASN A 38 6.614 3.254 4.869 1.00 0.00 O ATOM 569 ND2 ASN A 38 5.624 5.231 4.439 1.00 0.00 N ATOM 0 H ASN A 38 7.999 3.640 0.678 1.00 0.00 H new ATOM 0 HA ASN A 38 7.622 2.242 3.084 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.063 4.756 2.199 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.463 4.053 2.067 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.449 5.425 5.425 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.331 5.901 3.728 1.00 0.00 H new ATOM 576 N ALA A 39 5.663 1.511 0.585 1.00 0.00 N ATOM 577 CA ALA A 39 4.615 0.626 0.107 1.00 0.00 C ATOM 578 C ALA A 39 4.978 -0.820 0.450 1.00 0.00 C ATOM 579 O ALA A 39 4.202 -1.522 1.096 1.00 0.00 O ATOM 580 CB ALA A 39 4.414 0.836 -1.395 1.00 0.00 C ATOM 0 H ALA A 39 6.165 2.012 -0.148 1.00 0.00 H new ATOM 0 HA ALA A 39 3.668 0.853 0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.628 0.172 -1.753 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.128 1.871 -1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.343 0.615 -1.921 1.00 0.00 H new ATOM 586 N ASP A 40 6.158 -1.222 0.002 1.00 0.00 N ATOM 587 CA ASP A 40 6.634 -2.572 0.253 1.00 0.00 C ATOM 588 C ASP A 40 6.839 -2.764 1.756 1.00 0.00 C ATOM 589 O ASP A 40 7.395 -1.895 2.427 1.00 0.00 O ATOM 590 CB ASP A 40 7.973 -2.822 -0.443 1.00 0.00 C ATOM 591 CG ASP A 40 8.645 -4.152 -0.093 1.00 0.00 C ATOM 592 OD1 ASP A 40 7.896 -5.137 0.088 1.00 0.00 O ATOM 593 OD2 ASP A 40 9.893 -4.154 -0.015 1.00 0.00 O ATOM 0 H ASP A 40 6.799 -0.637 -0.534 1.00 0.00 H new ATOM 0 HA ASP A 40 5.891 -3.269 -0.134 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.818 -2.783 -1.521 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.654 -2.010 -0.190 1.00 0.00 H new ATOM 598 N LEU A 41 6.380 -3.909 2.243 1.00 0.00 N ATOM 599 CA LEU A 41 6.506 -4.226 3.655 1.00 0.00 C ATOM 600 C LEU A 41 6.779 -5.723 3.814 1.00 0.00 C ATOM 601 O LEU A 41 6.653 -6.266 4.911 1.00 0.00 O ATOM 602 CB LEU A 41 5.277 -3.739 4.426 1.00 0.00 C ATOM 603 CG LEU A 41 4.873 -2.282 4.192 1.00 0.00 C ATOM 604 CD1 LEU A 41 3.532 -1.971 4.860 1.00 0.00 C ATOM 605 CD2 LEU A 41 5.976 -1.325 4.648 1.00 0.00 C ATOM 0 H LEU A 41 5.920 -4.628 1.684 1.00 0.00 H new ATOM 0 HA LEU A 41 7.355 -3.698 4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.432 -4.376 4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.462 -3.877 5.491 1.00 0.00 H new ATOM 0 HG LEU A 41 4.742 -2.133 3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.268 -0.929 4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.760 -2.619 4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.612 -2.143 5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.662 -0.297 4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.165 -1.468 5.712 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.888 -1.528 4.087 1.00 0.00 H new ATOM 617 N ASN A 42 7.145 -6.347 2.705 1.00 0.00 N ATOM 618 CA ASN A 42 7.437 -7.771 2.708 1.00 0.00 C ATOM 619 C ASN A 42 8.430 -8.086 1.588 1.00 0.00 C ATOM 620 O ASN A 42 8.534 -9.231 1.150 1.00 0.00 O ATOM 621 CB ASN A 42 6.170 -8.592 2.461 1.00 0.00 C ATOM 622 CG ASN A 42 4.936 -7.880 3.021 1.00 0.00 C ATOM 623 OD1 ASN A 42 4.676 -6.721 2.742 1.00 0.00 O ATOM 624 ND2 ASN A 42 4.193 -8.636 3.823 1.00 0.00 N ATOM 0 H ASN A 42 7.246 -5.893 1.797 1.00 0.00 H new ATOM 0 HA ASN A 42 7.850 -8.029 3.683 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.044 -8.759 1.391 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.271 -9.572 2.927 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.348 -8.253 4.246 1.00 0.00 H new ATOM 0 HD22 ASN A 42 4.468 -9.599 4.015 1.00 0.00 H new ATOM 631 N GLU A 43 9.134 -7.050 1.156 1.00 0.00 N ATOM 632 CA GLU A 43 10.115 -7.202 0.096 1.00 0.00 C ATOM 633 C GLU A 43 9.437 -7.671 -1.193 1.00 0.00 C ATOM 634 O GLU A 43 9.890 -8.623 -1.827 1.00 0.00 O ATOM 635 CB GLU A 43 11.227 -8.167 0.512 1.00 0.00 C ATOM 636 CG GLU A 43 12.261 -7.465 1.395 1.00 0.00 C ATOM 637 CD GLU A 43 13.269 -8.467 1.961 1.00 0.00 C ATOM 638 OE1 GLU A 43 13.693 -9.348 1.182 1.00 0.00 O ATOM 639 OE2 GLU A 43 13.595 -8.329 3.160 1.00 0.00 O ATOM 0 H GLU A 43 9.044 -6.102 1.521 1.00 0.00 H new ATOM 0 HA GLU A 43 10.572 -6.230 -0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.798 -9.012 1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.715 -8.569 -0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.785 -6.705 0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.757 -6.950 2.213 1.00 0.00 H new ATOM 646 N ASP A 44 8.361 -6.981 -1.542 1.00 0.00 N ATOM 647 CA ASP A 44 7.615 -7.314 -2.744 1.00 0.00 C ATOM 648 C ASP A 44 7.518 -6.077 -3.638 1.00 0.00 C ATOM 649 O ASP A 44 7.585 -6.183 -4.861 1.00 0.00 O ATOM 650 CB ASP A 44 6.194 -7.764 -2.403 1.00 0.00 C ATOM 651 CG ASP A 44 6.022 -8.355 -1.002 1.00 0.00 C ATOM 652 OD1 ASP A 44 6.923 -9.121 -0.594 1.00 0.00 O ATOM 653 OD2 ASP A 44 4.993 -8.031 -0.371 1.00 0.00 O ATOM 0 H ASP A 44 7.988 -6.193 -1.013 1.00 0.00 H new ATOM 0 HA ASP A 44 8.138 -8.125 -3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.524 -6.910 -2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.878 -8.507 -3.136 1.00 0.00 H new ATOM 658 N GLY A 45 7.360 -4.930 -2.993 1.00 0.00 N ATOM 659 CA GLY A 45 7.252 -3.674 -3.714 1.00 0.00 C ATOM 660 C GLY A 45 6.121 -2.812 -3.149 1.00 0.00 C ATOM 661 O GLY A 45 6.359 -1.701 -2.677 1.00 0.00 O ATOM 0 H GLY A 45 7.304 -4.845 -1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.195 -3.131 -3.649 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.070 -3.872 -4.770 1.00 0.00 H new ATOM 665 N ARG A 46 4.915 -3.358 -3.214 1.00 0.00 N ATOM 666 CA ARG A 46 3.747 -2.653 -2.715 1.00 0.00 C ATOM 667 C ARG A 46 2.805 -3.625 -2.002 1.00 0.00 C ATOM 668 O ARG A 46 2.707 -3.613 -0.776 1.00 0.00 O ATOM 669 CB ARG A 46 2.992 -1.963 -3.853 1.00 0.00 C ATOM 670 CG ARG A 46 3.941 -1.585 -4.991 1.00 0.00 C ATOM 671 CD ARG A 46 3.967 -2.671 -6.068 1.00 0.00 C ATOM 672 NE ARG A 46 5.347 -3.175 -6.247 1.00 0.00 N ATOM 673 CZ ARG A 46 5.647 -4.377 -6.756 1.00 0.00 C ATOM 674 NH1 ARG A 46 4.668 -5.207 -7.140 1.00 0.00 N ATOM 675 NH2 ARG A 46 6.929 -4.750 -6.881 1.00 0.00 N ATOM 0 H ARG A 46 4.722 -4.280 -3.605 1.00 0.00 H new ATOM 0 HA ARG A 46 4.092 -1.895 -2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.212 -2.624 -4.230 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.497 -1.068 -3.476 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.627 -0.639 -5.432 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.946 -1.435 -4.596 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.306 -3.490 -5.786 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.593 -2.270 -7.010 1.00 0.00 H new ATOM 0 HE ARG A 46 6.118 -2.569 -5.965 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.693 -4.924 -7.045 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.898 -6.122 -7.527 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.675 -4.119 -6.589 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.158 -5.665 -7.269 1.00 0.00 H new ATOM 689 N VAL A 47 2.137 -4.443 -2.800 1.00 0.00 N ATOM 690 CA VAL A 47 1.206 -5.420 -2.261 1.00 0.00 C ATOM 691 C VAL A 47 1.095 -6.601 -3.228 1.00 0.00 C ATOM 692 O VAL A 47 1.195 -6.426 -4.442 1.00 0.00 O ATOM 693 CB VAL A 47 -0.141 -4.755 -1.973 1.00 0.00 C ATOM 694 CG1 VAL A 47 0.045 -3.459 -1.182 1.00 0.00 C ATOM 695 CG2 VAL A 47 -0.917 -4.503 -3.267 1.00 0.00 C ATOM 0 H VAL A 47 2.221 -4.450 -3.816 1.00 0.00 H new ATOM 0 HA VAL A 47 1.570 -5.811 -1.311 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.728 -5.439 -1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.928 -3.007 -0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.536 -3.679 -0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.660 -2.767 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.871 -4.030 -3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.337 -3.849 -3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.097 -5.451 -3.774 1.00 0.00 H new ATOM 705 N ASN A 48 0.891 -7.778 -2.654 1.00 0.00 N ATOM 706 CA ASN A 48 0.764 -8.987 -3.451 1.00 0.00 C ATOM 707 C ASN A 48 -0.603 -9.622 -3.191 1.00 0.00 C ATOM 708 O ASN A 48 -1.411 -9.761 -4.109 1.00 0.00 O ATOM 709 CB ASN A 48 1.840 -10.008 -3.073 1.00 0.00 C ATOM 710 CG ASN A 48 3.241 -9.421 -3.257 1.00 0.00 C ATOM 711 OD1 ASN A 48 4.018 -9.301 -2.323 1.00 0.00 O ATOM 712 ND2 ASN A 48 3.520 -9.064 -4.507 1.00 0.00 N ATOM 0 H ASN A 48 0.811 -7.920 -1.647 1.00 0.00 H new ATOM 0 HA ASN A 48 0.876 -8.715 -4.500 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.705 -10.318 -2.037 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.732 -10.901 -3.689 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.430 -8.662 -4.732 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.824 -9.192 -5.241 1.00 0.00 H new ATOM 719 N SER A 49 -0.820 -9.993 -1.939 1.00 0.00 N ATOM 720 CA SER A 49 -2.075 -10.611 -1.547 1.00 0.00 C ATOM 721 C SER A 49 -2.281 -10.470 -0.038 1.00 0.00 C ATOM 722 O SER A 49 -3.391 -10.204 0.419 1.00 0.00 O ATOM 723 CB SER A 49 -2.113 -12.086 -1.953 1.00 0.00 C ATOM 724 OG SER A 49 -0.930 -12.778 -1.561 1.00 0.00 O ATOM 0 H SER A 49 -0.147 -9.878 -1.181 1.00 0.00 H new ATOM 0 HA SER A 49 -2.885 -10.098 -2.066 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.981 -12.565 -1.499 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.236 -12.162 -3.033 1.00 0.00 H new ATOM 0 HG SER A 49 -0.993 -13.716 -1.836 1.00 0.00 H new ATOM 730 N THR A 50 -1.192 -10.655 0.695 1.00 0.00 N ATOM 731 CA THR A 50 -1.239 -10.551 2.143 1.00 0.00 C ATOM 732 C THR A 50 -1.073 -9.094 2.580 1.00 0.00 C ATOM 733 O THR A 50 -1.568 -8.699 3.635 1.00 0.00 O ATOM 734 CB THR A 50 -0.169 -11.483 2.718 1.00 0.00 C ATOM 735 OG1 THR A 50 -0.684 -12.790 2.483 1.00 0.00 O ATOM 736 CG2 THR A 50 -0.070 -11.389 4.242 1.00 0.00 C ATOM 0 H THR A 50 -0.273 -10.876 0.313 1.00 0.00 H new ATOM 0 HA THR A 50 -2.208 -10.865 2.531 1.00 0.00 H new ATOM 0 HB THR A 50 0.798 -11.243 2.276 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.052 -13.457 2.824 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.703 -12.069 4.599 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.185 -10.368 4.528 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.027 -11.662 4.686 1.00 0.00 H new ATOM 744 N ASP A 51 -0.377 -8.336 1.746 1.00 0.00 N ATOM 745 CA ASP A 51 -0.142 -6.931 2.033 1.00 0.00 C ATOM 746 C ASP A 51 -1.451 -6.156 1.875 1.00 0.00 C ATOM 747 O ASP A 51 -1.933 -5.545 2.827 1.00 0.00 O ATOM 748 CB ASP A 51 0.881 -6.335 1.062 1.00 0.00 C ATOM 749 CG ASP A 51 2.333 -6.385 1.542 1.00 0.00 C ATOM 750 OD1 ASP A 51 2.725 -5.443 2.265 1.00 0.00 O ATOM 751 OD2 ASP A 51 3.018 -7.363 1.174 1.00 0.00 O ATOM 0 H ASP A 51 0.032 -8.668 0.872 1.00 0.00 H new ATOM 0 HA ASP A 51 0.239 -6.854 3.051 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.810 -6.865 0.112 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.614 -5.296 0.868 1.00 0.00 H new ATOM 756 N LEU A 52 -1.989 -6.206 0.665 1.00 0.00 N ATOM 757 CA LEU A 52 -3.234 -5.516 0.371 1.00 0.00 C ATOM 758 C LEU A 52 -4.207 -5.710 1.535 1.00 0.00 C ATOM 759 O LEU A 52 -4.831 -4.753 1.993 1.00 0.00 O ATOM 760 CB LEU A 52 -3.791 -5.970 -0.980 1.00 0.00 C ATOM 761 CG LEU A 52 -3.876 -7.483 -1.196 1.00 0.00 C ATOM 762 CD1 LEU A 52 -5.203 -8.037 -0.674 1.00 0.00 C ATOM 763 CD2 LEU A 52 -3.643 -7.840 -2.665 1.00 0.00 C ATOM 0 H LEU A 52 -1.586 -6.713 -0.123 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.063 -4.444 0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.789 -5.549 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.170 -5.545 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.081 -7.957 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.238 -9.114 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.289 -7.831 0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.029 -7.562 -1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.709 -8.921 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.400 -7.356 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.654 -7.498 -2.970 1.00 0.00 H new ATOM 775 N GLY A 53 -4.306 -6.953 1.981 1.00 0.00 N ATOM 776 CA GLY A 53 -5.193 -7.285 3.083 1.00 0.00 C ATOM 777 C GLY A 53 -4.890 -6.422 4.310 1.00 0.00 C ATOM 778 O GLY A 53 -5.628 -5.488 4.615 1.00 0.00 O ATOM 0 H GLY A 53 -3.786 -7.743 1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.229 -7.138 2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.082 -8.339 3.339 1.00 0.00 H new ATOM 782 N ILE A 54 -3.799 -6.767 4.980 1.00 0.00 N ATOM 783 CA ILE A 54 -3.388 -6.036 6.167 1.00 0.00 C ATOM 784 C ILE A 54 -3.537 -4.534 5.913 1.00 0.00 C ATOM 785 O ILE A 54 -4.058 -3.807 6.756 1.00 0.00 O ATOM 786 CB ILE A 54 -1.978 -6.451 6.590 1.00 0.00 C ATOM 787 CG1 ILE A 54 -1.996 -7.141 7.957 1.00 0.00 C ATOM 788 CG2 ILE A 54 -1.022 -5.257 6.563 1.00 0.00 C ATOM 789 CD1 ILE A 54 -0.576 -7.320 8.498 1.00 0.00 C ATOM 0 H ILE A 54 -3.188 -7.542 4.723 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.034 -6.283 7.009 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.605 -7.177 5.867 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.585 -6.551 8.659 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.482 -8.113 7.872 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.027 -5.581 6.868 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.977 -4.849 5.553 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.380 -4.489 7.249 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.616 -7.812 9.470 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.003 -7.931 7.805 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.102 -6.344 8.605 1.00 0.00 H new ATOM 801 N LEU A 55 -3.068 -4.115 4.747 1.00 0.00 N ATOM 802 CA LEU A 55 -3.143 -2.713 4.371 1.00 0.00 C ATOM 803 C LEU A 55 -4.603 -2.260 4.394 1.00 0.00 C ATOM 804 O LEU A 55 -4.949 -1.298 5.079 1.00 0.00 O ATOM 805 CB LEU A 55 -2.447 -2.481 3.028 1.00 0.00 C ATOM 806 CG LEU A 55 -0.931 -2.282 3.083 1.00 0.00 C ATOM 807 CD1 LEU A 55 -0.196 -3.528 2.585 1.00 0.00 C ATOM 808 CD2 LEU A 55 -0.515 -1.026 2.314 1.00 0.00 C ATOM 0 H LEU A 55 -2.635 -4.721 4.050 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.607 -2.096 5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.658 -3.332 2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.892 -1.604 2.558 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.644 -2.133 4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.880 -3.360 2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.459 -4.380 3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.484 -3.733 1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.567 -0.908 2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.817 -1.121 1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.998 -0.153 2.754 1.00 0.00 H new ATOM 820 N LYS A 56 -5.423 -2.975 3.637 1.00 0.00 N ATOM 821 CA LYS A 56 -6.840 -2.658 3.562 1.00 0.00 C ATOM 822 C LYS A 56 -7.476 -2.861 4.938 1.00 0.00 C ATOM 823 O LYS A 56 -8.647 -2.539 5.138 1.00 0.00 O ATOM 824 CB LYS A 56 -7.510 -3.464 2.448 1.00 0.00 C ATOM 825 CG LYS A 56 -8.967 -3.035 2.261 1.00 0.00 C ATOM 826 CD LYS A 56 -9.179 -2.396 0.887 1.00 0.00 C ATOM 827 CE LYS A 56 -9.990 -1.105 1.002 1.00 0.00 C ATOM 828 NZ LYS A 56 -9.908 -0.328 -0.256 1.00 0.00 N ATOM 0 H LYS A 56 -5.134 -3.772 3.070 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.984 -1.611 3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.964 -3.325 1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.468 -4.527 2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.621 -3.900 2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.244 -2.327 3.042 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.213 -2.183 0.428 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.696 -3.097 0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.031 -1.341 1.224 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.615 -0.506 1.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.464 0.546 -0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.915 -0.087 -0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.287 -0.896 -1.040 1.00 0.00 H new ATOM 842 N ARG A 57 -6.679 -3.396 5.851 1.00 0.00 N ATOM 843 CA ARG A 57 -7.151 -3.646 7.202 1.00 0.00 C ATOM 844 C ARG A 57 -6.848 -2.445 8.101 1.00 0.00 C ATOM 845 O ARG A 57 -7.705 -2.007 8.866 1.00 0.00 O ATOM 846 CB ARG A 57 -6.493 -4.894 7.793 1.00 0.00 C ATOM 847 CG ARG A 57 -7.533 -5.979 8.080 1.00 0.00 C ATOM 848 CD ARG A 57 -8.111 -5.825 9.489 1.00 0.00 C ATOM 849 NE ARG A 57 -9.516 -6.292 9.513 1.00 0.00 N ATOM 850 CZ ARG A 57 -10.567 -5.528 9.185 1.00 0.00 C ATOM 851 NH1 ARG A 57 -10.379 -4.256 8.806 1.00 0.00 N ATOM 852 NH2 ARG A 57 -11.806 -6.036 9.237 1.00 0.00 N ATOM 0 H ARG A 57 -5.709 -3.663 5.682 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.228 -3.805 7.152 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.744 -5.277 7.100 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.971 -4.633 8.714 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.336 -5.922 7.345 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.076 -6.963 7.976 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.516 -6.399 10.200 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.060 -4.781 9.800 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.695 -7.255 9.797 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.436 -3.869 8.767 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.179 -3.675 8.556 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.949 -7.004 9.526 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.606 -5.455 8.987 1.00 0.00 H new ATOM 866 N TYR A 58 -5.626 -1.947 7.978 1.00 0.00 N ATOM 867 CA TYR A 58 -5.200 -0.806 8.769 1.00 0.00 C ATOM 868 C TYR A 58 -5.530 0.508 8.059 1.00 0.00 C ATOM 869 O TYR A 58 -5.786 1.521 8.706 1.00 0.00 O ATOM 870 CB TYR A 58 -3.682 -0.931 8.907 1.00 0.00 C ATOM 871 CG TYR A 58 -2.895 -0.122 7.873 1.00 0.00 C ATOM 872 CD1 TYR A 58 -2.991 1.255 7.857 1.00 0.00 C ATOM 873 CD2 TYR A 58 -2.087 -0.768 6.960 1.00 0.00 C ATOM 874 CE1 TYR A 58 -2.251 2.016 6.886 1.00 0.00 C ATOM 875 CE2 TYR A 58 -1.348 -0.006 5.987 1.00 0.00 C ATOM 876 CZ TYR A 58 -1.466 1.349 5.999 1.00 0.00 C ATOM 877 OH TYR A 58 -0.766 2.070 5.081 1.00 0.00 O ATOM 0 H TYR A 58 -4.918 -2.313 7.342 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.708 -0.797 9.734 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.390 -0.607 9.906 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.405 -1.981 8.819 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.621 1.761 8.573 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.009 -1.845 6.975 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.318 3.094 6.862 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.715 -0.499 5.264 1.00 0.00 H new ATOM 0 HH TYR A 58 0.159 1.748 5.048 1.00 0.00 H new ATOM 887 N ILE A 59 -5.512 0.448 6.735 1.00 0.00 N ATOM 888 CA ILE A 59 -5.806 1.621 5.929 1.00 0.00 C ATOM 889 C ILE A 59 -7.311 1.895 5.965 1.00 0.00 C ATOM 890 O ILE A 59 -7.783 2.866 5.373 1.00 0.00 O ATOM 891 CB ILE A 59 -5.244 1.454 4.515 1.00 0.00 C ATOM 892 CG1 ILE A 59 -6.163 0.578 3.661 1.00 0.00 C ATOM 893 CG2 ILE A 59 -3.813 0.916 4.554 1.00 0.00 C ATOM 894 CD1 ILE A 59 -6.909 1.417 2.622 1.00 0.00 C ATOM 0 H ILE A 59 -5.298 -0.394 6.201 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.312 2.501 6.341 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.205 2.436 4.044 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.575 -0.191 3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.880 0.064 4.301 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.438 0.807 3.537 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.178 1.611 5.102 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.802 -0.054 5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.555 0.770 2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.514 2.169 3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.190 1.910 1.968 1.00 0.00 H new ATOM 906 N LEU A 60 -8.022 1.023 6.663 1.00 0.00 N ATOM 907 CA LEU A 60 -9.465 1.159 6.783 1.00 0.00 C ATOM 908 C LEU A 60 -9.787 2.406 7.609 1.00 0.00 C ATOM 909 O LEU A 60 -10.597 3.235 7.195 1.00 0.00 O ATOM 910 CB LEU A 60 -10.078 -0.125 7.343 1.00 0.00 C ATOM 911 CG LEU A 60 -11.414 -0.552 6.731 1.00 0.00 C ATOM 912 CD1 LEU A 60 -12.404 0.614 6.707 1.00 0.00 C ATOM 913 CD2 LEU A 60 -11.211 -1.161 5.343 1.00 0.00 C ATOM 0 H LEU A 60 -7.627 0.219 7.152 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.919 1.300 5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.362 -0.936 7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.216 0.000 8.417 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.847 -1.328 7.363 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.345 0.283 6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.581 0.962 7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.992 1.429 6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.176 -1.456 4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.746 -0.425 4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.567 -2.037 5.421 1.00 0.00 H new ATOM 925 N LYS A 61 -9.137 2.500 8.759 1.00 0.00 N ATOM 926 CA LYS A 61 -9.346 3.633 9.646 1.00 0.00 C ATOM 927 C LYS A 61 -8.488 3.456 10.900 1.00 0.00 C ATOM 928 O LYS A 61 -8.017 4.434 11.478 1.00 0.00 O ATOM 929 CB LYS A 61 -10.835 3.816 9.939 1.00 0.00 C ATOM 930 CG LYS A 61 -11.468 2.505 10.412 1.00 0.00 C ATOM 931 CD LYS A 61 -11.061 2.188 11.853 1.00 0.00 C ATOM 932 CE LYS A 61 -12.292 1.992 12.739 1.00 0.00 C ATOM 933 NZ LYS A 61 -12.158 2.767 13.993 1.00 0.00 N ATOM 0 H LYS A 61 -8.465 1.811 9.098 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.024 4.558 9.167 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.967 4.583 10.702 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.345 4.167 9.042 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.554 2.576 10.344 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.160 1.691 9.756 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.448 1.287 11.872 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.449 2.999 12.249 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.187 2.308 12.203 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.416 0.934 12.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.003 2.622 14.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.315 2.446 14.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.062 3.778 13.768 1.00 0.00 H new ATOM 947 N GLU A 62 -8.313 2.200 11.287 1.00 0.00 N ATOM 948 CA GLU A 62 -7.522 1.884 12.464 1.00 0.00 C ATOM 949 C GLU A 62 -6.050 2.225 12.220 1.00 0.00 C ATOM 950 O GLU A 62 -5.215 2.059 13.109 1.00 0.00 O ATOM 951 CB GLU A 62 -7.686 0.414 12.855 1.00 0.00 C ATOM 952 CG GLU A 62 -8.396 0.282 14.203 1.00 0.00 C ATOM 953 CD GLU A 62 -9.274 -0.971 14.240 1.00 0.00 C ATOM 954 OE1 GLU A 62 -9.945 -1.223 13.216 1.00 0.00 O ATOM 955 OE2 GLU A 62 -9.254 -1.647 15.291 1.00 0.00 O ATOM 0 H GLU A 62 -8.705 1.390 10.806 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.883 2.490 13.295 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.256 -0.109 12.087 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.708 -0.064 12.907 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.658 0.237 15.004 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.009 1.165 14.383 1.00 0.00 H new ATOM 962 N ILE A 63 -5.777 2.697 11.013 1.00 0.00 N ATOM 963 CA ILE A 63 -4.420 3.063 10.642 1.00 0.00 C ATOM 964 C ILE A 63 -3.703 3.649 11.860 1.00 0.00 C ATOM 965 O ILE A 63 -4.269 4.464 12.585 1.00 0.00 O ATOM 966 CB ILE A 63 -4.430 3.995 9.428 1.00 0.00 C ATOM 967 CG1 ILE A 63 -3.037 4.575 9.172 1.00 0.00 C ATOM 968 CG2 ILE A 63 -5.488 5.089 9.585 1.00 0.00 C ATOM 969 CD1 ILE A 63 -2.963 5.232 7.792 1.00 0.00 C ATOM 0 H ILE A 63 -6.472 2.835 10.279 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.858 2.181 10.334 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.702 3.410 8.549 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.797 5.309 9.942 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.291 3.784 9.243 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.474 5.737 8.709 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.473 4.632 9.682 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.272 5.679 10.476 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.963 5.636 7.635 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.179 4.490 7.024 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.694 6.039 7.733 1.00 0.00 H new ATOM 981 N ASP A 64 -2.468 3.208 12.048 1.00 0.00 N ATOM 982 CA ASP A 64 -1.668 3.677 13.167 1.00 0.00 C ATOM 983 C ASP A 64 -0.328 2.938 13.176 1.00 0.00 C ATOM 984 O ASP A 64 -0.036 2.187 14.105 1.00 0.00 O ATOM 985 CB ASP A 64 -2.368 3.404 14.498 1.00 0.00 C ATOM 986 CG ASP A 64 -3.303 4.516 14.978 1.00 0.00 C ATOM 987 OD1 ASP A 64 -2.923 5.693 14.799 1.00 0.00 O ATOM 988 OD2 ASP A 64 -4.376 4.164 15.514 1.00 0.00 O ATOM 0 H ASP A 64 -2.002 2.531 11.444 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.523 4.751 13.051 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.942 2.482 14.407 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.609 3.233 15.262 1.00 0.00 H new ATOM 993 N THR A 65 0.451 3.177 12.131 1.00 0.00 N ATOM 994 CA THR A 65 1.752 2.543 12.007 1.00 0.00 C ATOM 995 C THR A 65 1.609 1.143 11.407 1.00 0.00 C ATOM 996 O THR A 65 2.576 0.385 11.352 1.00 0.00 O ATOM 997 CB THR A 65 2.414 2.549 13.387 1.00 0.00 C ATOM 998 OG1 THR A 65 3.797 2.752 13.109 1.00 0.00 O ATOM 999 CG2 THR A 65 2.368 1.176 14.063 1.00 0.00 C ATOM 0 H THR A 65 0.206 3.801 11.362 1.00 0.00 H new ATOM 0 HA THR A 65 2.395 3.092 11.319 1.00 0.00 H new ATOM 0 HB THR A 65 1.921 3.285 14.023 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.300 2.771 13.950 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.851 1.234 15.039 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.330 0.867 14.189 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.890 0.447 13.443 1.00 0.00 H new ATOM 1007 N LEU A 66 0.393 0.842 10.974 1.00 0.00 N ATOM 1008 CA LEU A 66 0.110 -0.454 10.381 1.00 0.00 C ATOM 1009 C LEU A 66 0.446 -1.556 11.387 1.00 0.00 C ATOM 1010 O LEU A 66 1.614 -1.783 11.698 1.00 0.00 O ATOM 1011 CB LEU A 66 0.838 -0.601 9.043 1.00 0.00 C ATOM 1012 CG LEU A 66 0.856 -2.007 8.439 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.761 -1.949 6.913 1.00 0.00 C ATOM 1014 CD2 LEU A 66 2.082 -2.791 8.908 1.00 0.00 C ATOM 0 H LEU A 66 -0.407 1.473 11.022 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.952 -0.544 10.153 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.376 0.076 8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.868 -0.271 9.175 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.023 -2.543 8.796 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.776 -2.961 6.509 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.168 -1.457 6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.607 -1.388 6.517 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.069 -3.786 8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.988 -2.268 8.601 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.064 -2.878 9.994 1.00 0.00 H new