USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 411 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 50 THR OG1 : rot -33:sc= 0.505 USER MOD Set 1.2: A 52 THR OG1 : rot 46:sc= 0.47 USER MOD Set 2.1: A 33 GLN : amide:sc= -1.55 K(o=-1.8,f=0.99) USER MOD Set 2.2: A 36 ASN : amide:sc= -0.201 K(o=-1.8,f=0.23) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00184) USER MOD Single : A 9 ASN : amide:sc= -0.195 K(o=-0.2,f=-1.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -150:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -141:sc= 1.23 (180deg=0.459) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 1.18 K(o=1.2,f=-0.033) USER MOD Single : A 45 THR OG1 : rot -49:sc= -0.0992 USER MOD Single : A 46 TYR OH : rot 176:sc= 1.19 USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00928) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 -14.322 -0.325 -2.238 1.00 0.00 N ATOM 19 CA GLY A 2 -13.776 0.629 -3.192 1.00 0.00 C ATOM 20 C GLY A 2 -12.347 0.276 -3.594 1.00 0.00 C ATOM 21 O GLY A 2 -11.759 -0.704 -3.127 1.00 0.00 O ATOM 0 HA2 GLY A 2 -14.407 0.656 -4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.795 1.628 -2.757 1.00 0.00 H new ATOM 25 N THR A 3 -11.818 1.049 -4.540 1.00 0.00 N ATOM 26 CA THR A 3 -10.486 0.867 -5.101 1.00 0.00 C ATOM 27 C THR A 3 -9.421 1.532 -4.245 1.00 0.00 C ATOM 28 O THR A 3 -9.517 2.720 -3.933 1.00 0.00 O ATOM 29 CB THR A 3 -10.444 1.452 -6.523 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.576 1.020 -7.246 1.00 0.00 O ATOM 31 CG2 THR A 3 -9.193 1.010 -7.288 1.00 0.00 C ATOM 0 H THR A 3 -12.319 1.839 -4.946 1.00 0.00 H new ATOM 0 HA THR A 3 -10.275 -0.202 -5.128 1.00 0.00 H new ATOM 0 HB THR A 3 -10.430 2.538 -6.426 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.549 1.395 -8.151 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.204 1.446 -8.287 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.303 1.346 -6.755 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.180 -0.077 -7.367 1.00 0.00 H new ATOM 39 N TYR A 4 -8.378 0.786 -3.908 1.00 0.00 N ATOM 40 CA TYR A 4 -7.256 1.251 -3.126 1.00 0.00 C ATOM 41 C TYR A 4 -6.008 1.263 -4.006 1.00 0.00 C ATOM 42 O TYR A 4 -5.906 0.483 -4.956 1.00 0.00 O ATOM 43 CB TYR A 4 -7.062 0.333 -1.918 1.00 0.00 C ATOM 44 CG TYR A 4 -8.131 0.480 -0.863 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.034 1.523 0.077 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.208 -0.421 -0.814 1.00 0.00 C ATOM 47 CE1 TYR A 4 -8.987 1.642 1.100 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.168 -0.301 0.201 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.049 0.718 1.165 1.00 0.00 C ATOM 50 OH TYR A 4 -11.016 0.819 2.106 1.00 0.00 O ATOM 0 H TYR A 4 -8.293 -0.192 -4.184 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.441 2.262 -2.763 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.042 -0.702 -2.260 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.091 0.540 -1.469 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.224 2.234 0.011 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.296 -1.202 -1.555 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.907 2.434 1.830 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -10.998 -0.990 0.243 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.663 0.092 1.990 1.00 0.00 H new ATOM 60 N LYS A 5 -5.033 2.111 -3.672 1.00 0.00 N ATOM 61 CA LYS A 5 -3.762 2.241 -4.378 1.00 0.00 C ATOM 62 C LYS A 5 -2.654 2.189 -3.343 1.00 0.00 C ATOM 63 O LYS A 5 -2.820 2.696 -2.235 1.00 0.00 O ATOM 64 CB LYS A 5 -3.689 3.576 -5.144 1.00 0.00 C ATOM 65 CG LYS A 5 -2.421 3.701 -6.023 1.00 0.00 C ATOM 66 CD LYS A 5 -2.035 5.139 -6.380 1.00 0.00 C ATOM 67 CE LYS A 5 -3.157 5.963 -7.004 1.00 0.00 C ATOM 68 NZ LYS A 5 -3.754 5.346 -8.204 1.00 0.00 N ATOM 0 H LYS A 5 -5.111 2.745 -2.877 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.661 1.434 -5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.573 3.675 -5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.712 4.400 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.586 3.233 -5.502 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.577 3.140 -6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.691 5.643 -5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.193 5.114 -7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.938 6.118 -6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.769 6.947 -7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.496 5.969 -8.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.018 5.207 -8.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.170 4.427 -7.951 1.00 0.00 H new ATOM 82 N LEU A 6 -1.535 1.576 -3.693 1.00 0.00 N ATOM 83 CA LEU A 6 -0.360 1.483 -2.841 1.00 0.00 C ATOM 84 C LEU A 6 0.761 2.171 -3.587 1.00 0.00 C ATOM 85 O LEU A 6 0.885 1.987 -4.799 1.00 0.00 O ATOM 86 CB LEU A 6 0.034 0.033 -2.578 1.00 0.00 C ATOM 87 CG LEU A 6 1.395 -0.177 -1.873 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.392 0.414 -0.455 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.713 -1.676 -1.836 1.00 0.00 C ATOM 0 H LEU A 6 -1.415 1.119 -4.597 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.564 1.943 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.744 -0.431 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.054 -0.497 -3.530 1.00 0.00 H new ATOM 0 HG LEU A 6 2.167 0.347 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.364 0.248 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.193 1.484 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.618 -0.071 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.671 -1.833 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.931 -2.200 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.764 -2.062 -2.854 1.00 0.00 H new ATOM 101 N ILE A 7 1.582 2.894 -2.840 1.00 0.00 N ATOM 102 CA ILE A 7 2.741 3.616 -3.331 1.00 0.00 C ATOM 103 C ILE A 7 3.931 3.130 -2.504 1.00 0.00 C ATOM 104 O ILE A 7 4.006 3.348 -1.294 1.00 0.00 O ATOM 105 CB ILE A 7 2.529 5.145 -3.272 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.258 5.570 -4.038 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.779 5.867 -3.818 1.00 0.00 C ATOM 108 CD1 ILE A 7 1.013 7.083 -4.062 1.00 0.00 C ATOM 0 H ILE A 7 1.451 2.996 -1.834 1.00 0.00 H new ATOM 0 HA ILE A 7 2.922 3.415 -4.387 1.00 0.00 H new ATOM 0 HB ILE A 7 2.384 5.434 -2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.328 5.209 -5.064 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.395 5.081 -3.586 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.625 6.945 -3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.646 5.600 -3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.950 5.567 -4.852 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.101 7.295 -4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.908 7.451 -3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.856 7.580 -4.542 1.00 0.00 H new ATOM 120 N LEU A 8 4.828 2.381 -3.129 1.00 0.00 N ATOM 121 CA LEU A 8 6.025 1.867 -2.496 1.00 0.00 C ATOM 122 C LEU A 8 7.080 2.946 -2.628 1.00 0.00 C ATOM 123 O LEU A 8 7.588 3.177 -3.726 1.00 0.00 O ATOM 124 CB LEU A 8 6.546 0.607 -3.198 1.00 0.00 C ATOM 125 CG LEU A 8 5.638 -0.612 -3.089 1.00 0.00 C ATOM 126 CD1 LEU A 8 6.206 -1.743 -3.955 1.00 0.00 C ATOM 127 CD2 LEU A 8 5.437 -1.121 -1.670 1.00 0.00 C ATOM 0 H LEU A 8 4.739 2.111 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 8 5.804 1.608 -1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.699 0.834 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.521 0.354 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 8 4.656 -0.292 -3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.560 -2.618 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.256 -1.416 -4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.206 -2.000 -3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.778 -1.989 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.400 -1.403 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.988 -0.336 -1.062 1.00 0.00 H new ATOM 139 N ASN A 9 7.371 3.645 -1.542 1.00 0.00 N ATOM 140 CA ASN A 9 8.398 4.672 -1.490 1.00 0.00 C ATOM 141 C ASN A 9 9.554 3.976 -0.768 1.00 0.00 C ATOM 142 O ASN A 9 9.871 4.278 0.386 1.00 0.00 O ATOM 143 CB ASN A 9 7.913 5.912 -0.709 1.00 0.00 C ATOM 144 CG ASN A 9 7.510 7.080 -1.583 1.00 0.00 C ATOM 145 OD1 ASN A 9 8.034 7.288 -2.676 1.00 0.00 O ATOM 146 ND2 ASN A 9 6.638 7.928 -1.083 1.00 0.00 N ATOM 0 H ASN A 9 6.889 3.511 -0.653 1.00 0.00 H new ATOM 0 HA ASN A 9 8.676 5.047 -2.475 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.063 5.627 -0.089 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.706 6.235 -0.034 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.389 8.770 -1.603 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.210 7.744 -0.175 1.00 0.00 H new ATOM 153 N GLY A 10 10.234 3.061 -1.457 1.00 0.00 N ATOM 154 CA GLY A 10 11.343 2.334 -0.871 1.00 0.00 C ATOM 155 C GLY A 10 12.664 2.980 -1.241 1.00 0.00 C ATOM 156 O GLY A 10 12.881 3.428 -2.369 1.00 0.00 O ATOM 0 H GLY A 10 10.030 2.810 -2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.236 2.310 0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.329 1.300 -1.216 1.00 0.00 H new ATOM 160 N LYS A 11 13.583 3.012 -0.282 1.00 0.00 N ATOM 161 CA LYS A 11 14.910 3.588 -0.448 1.00 0.00 C ATOM 162 C LYS A 11 15.712 2.838 -1.492 1.00 0.00 C ATOM 163 O LYS A 11 16.679 3.398 -2.009 1.00 0.00 O ATOM 164 CB LYS A 11 15.644 3.543 0.892 1.00 0.00 C ATOM 165 CG LYS A 11 14.931 4.459 1.888 1.00 0.00 C ATOM 166 CD LYS A 11 15.452 4.301 3.308 1.00 0.00 C ATOM 167 CE LYS A 11 15.238 2.892 3.876 1.00 0.00 C ATOM 168 NZ LYS A 11 15.220 2.889 5.351 1.00 0.00 N ATOM 0 H LYS A 11 13.422 2.631 0.650 1.00 0.00 H new ATOM 0 HA LYS A 11 14.800 4.618 -0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.669 2.522 1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.679 3.861 0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.053 5.496 1.574 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.862 4.245 1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.516 4.535 3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.955 5.025 3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.297 2.489 3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.031 2.234 3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.073 1.918 5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.127 3.250 5.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.447 3.497 5.690 1.00 0.00 H new ATOM 182 N THR A 12 15.323 1.613 -1.831 1.00 0.00 N ATOM 183 CA THR A 12 16.027 0.810 -2.814 1.00 0.00 C ATOM 184 C THR A 12 15.116 0.411 -3.979 1.00 0.00 C ATOM 185 O THR A 12 15.591 0.358 -5.112 1.00 0.00 O ATOM 186 CB THR A 12 16.748 -0.354 -2.105 1.00 0.00 C ATOM 187 OG1 THR A 12 15.888 -1.270 -1.450 1.00 0.00 O ATOM 188 CG2 THR A 12 17.710 0.160 -1.026 1.00 0.00 C ATOM 0 H THR A 12 14.508 1.151 -1.428 1.00 0.00 H new ATOM 0 HA THR A 12 16.808 1.400 -3.294 1.00 0.00 H new ATOM 0 HB THR A 12 17.264 -0.865 -2.918 1.00 0.00 H new ATOM 0 HG1 THR A 12 16.422 -1.976 -1.029 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.202 -0.685 -0.545 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.460 0.804 -1.484 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.152 0.727 -0.281 1.00 0.00 H new ATOM 196 N LEU A 13 13.822 0.168 -3.744 1.00 0.00 N ATOM 197 CA LEU A 13 12.847 -0.233 -4.752 1.00 0.00 C ATOM 198 C LEU A 13 11.550 0.540 -4.561 1.00 0.00 C ATOM 199 O LEU A 13 11.037 0.608 -3.447 1.00 0.00 O ATOM 200 CB LEU A 13 12.627 -1.751 -4.619 1.00 0.00 C ATOM 201 CG LEU A 13 11.613 -2.376 -5.603 1.00 0.00 C ATOM 202 CD1 LEU A 13 11.859 -3.887 -5.664 1.00 0.00 C ATOM 203 CD2 LEU A 13 10.143 -2.166 -5.205 1.00 0.00 C ATOM 0 H LEU A 13 13.415 0.249 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 13 13.210 -0.007 -5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.587 -2.250 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.295 -1.963 -3.603 1.00 0.00 H new ATOM 0 HG LEU A 13 11.769 -1.878 -6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.150 -4.343 -6.355 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.876 -4.077 -6.009 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.726 -4.318 -4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.495 -2.634 -5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.962 -2.616 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.928 -1.099 -5.157 1.00 0.00 H new ATOM 215 N LYS A 14 11.013 1.131 -5.630 1.00 0.00 N ATOM 216 CA LYS A 14 9.749 1.865 -5.593 1.00 0.00 C ATOM 217 C LYS A 14 8.804 1.231 -6.605 1.00 0.00 C ATOM 218 O LYS A 14 9.250 0.517 -7.509 1.00 0.00 O ATOM 219 CB LYS A 14 9.922 3.374 -5.831 1.00 0.00 C ATOM 220 CG LYS A 14 10.683 4.059 -4.687 1.00 0.00 C ATOM 221 CD LYS A 14 11.848 4.932 -5.142 1.00 0.00 C ATOM 222 CE LYS A 14 12.986 4.090 -5.719 1.00 0.00 C ATOM 223 NZ LYS A 14 13.930 4.942 -6.458 1.00 0.00 N ATOM 0 H LYS A 14 11.447 1.113 -6.553 1.00 0.00 H new ATOM 0 HA LYS A 14 9.326 1.790 -4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.457 3.533 -6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.942 3.837 -5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.985 4.673 -4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.061 3.294 -4.008 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.501 5.641 -5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.217 5.516 -4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.507 3.571 -4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.581 3.325 -6.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.698 4.356 -6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.432 5.417 -7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.329 5.656 -5.816 1.00 0.00 H new ATOM 237 N GLY A 15 7.511 1.474 -6.459 1.00 0.00 N ATOM 238 CA GLY A 15 6.495 0.925 -7.340 1.00 0.00 C ATOM 239 C GLY A 15 5.105 1.378 -6.914 1.00 0.00 C ATOM 240 O GLY A 15 4.964 2.117 -5.937 1.00 0.00 O ATOM 0 H GLY A 15 7.135 2.064 -5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.687 1.242 -8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.547 -0.164 -7.328 1.00 0.00 H new ATOM 244 N GLU A 16 4.084 0.966 -7.663 1.00 0.00 N ATOM 245 CA GLU A 16 2.685 1.262 -7.399 1.00 0.00 C ATOM 246 C GLU A 16 1.824 0.086 -7.863 1.00 0.00 C ATOM 247 O GLU A 16 2.146 -0.585 -8.847 1.00 0.00 O ATOM 248 CB GLU A 16 2.195 2.510 -8.151 1.00 0.00 C ATOM 249 CG GLU A 16 2.553 3.844 -7.494 1.00 0.00 C ATOM 250 CD GLU A 16 1.670 4.997 -7.989 1.00 0.00 C ATOM 251 OE1 GLU A 16 0.843 4.827 -8.918 1.00 0.00 O ATOM 252 OE2 GLU A 16 1.806 6.119 -7.454 1.00 0.00 O ATOM 0 H GLU A 16 4.217 0.397 -8.499 1.00 0.00 H new ATOM 0 HA GLU A 16 2.596 1.439 -6.327 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.611 2.495 -9.158 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.111 2.452 -8.253 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.452 3.752 -6.413 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.598 4.077 -7.698 1.00 0.00 H new ATOM 259 N THR A 17 0.702 -0.146 -7.188 1.00 0.00 N ATOM 260 CA THR A 17 -0.269 -1.184 -7.496 1.00 0.00 C ATOM 261 C THR A 17 -1.635 -0.679 -7.013 1.00 0.00 C ATOM 262 O THR A 17 -1.719 0.271 -6.225 1.00 0.00 O ATOM 263 CB THR A 17 0.162 -2.541 -6.901 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.690 -3.587 -7.324 1.00 0.00 O ATOM 265 CG2 THR A 17 0.139 -2.590 -5.373 1.00 0.00 C ATOM 0 H THR A 17 0.436 0.411 -6.376 1.00 0.00 H new ATOM 0 HA THR A 17 -0.336 -1.376 -8.567 1.00 0.00 H new ATOM 0 HB THR A 17 1.184 -2.664 -7.259 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.389 -4.433 -6.931 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.455 -3.577 -5.036 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.818 -1.836 -4.975 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.872 -2.392 -5.018 1.00 0.00 H new ATOM 273 N THR A 18 -2.710 -1.308 -7.473 1.00 0.00 N ATOM 274 CA THR A 18 -4.081 -0.972 -7.136 1.00 0.00 C ATOM 275 C THR A 18 -4.855 -2.272 -6.925 1.00 0.00 C ATOM 276 O THR A 18 -4.536 -3.275 -7.570 1.00 0.00 O ATOM 277 CB THR A 18 -4.700 -0.136 -8.275 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.336 -0.641 -9.553 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.212 1.310 -8.224 1.00 0.00 C ATOM 0 H THR A 18 -2.644 -2.097 -8.116 1.00 0.00 H new ATOM 0 HA THR A 18 -4.121 -0.379 -6.222 1.00 0.00 H new ATOM 0 HB THR A 18 -5.779 -0.191 -8.134 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.746 -0.090 -10.252 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.665 1.876 -9.038 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.496 1.756 -7.271 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.127 1.332 -8.326 1.00 0.00 H new ATOM 287 N THR A 19 -5.738 -2.317 -5.930 1.00 0.00 N ATOM 288 CA THR A 19 -6.562 -3.481 -5.637 1.00 0.00 C ATOM 289 C THR A 19 -7.913 -2.987 -5.096 1.00 0.00 C ATOM 290 O THR A 19 -7.981 -1.905 -4.511 1.00 0.00 O ATOM 291 CB THR A 19 -5.767 -4.422 -4.708 1.00 0.00 C ATOM 292 OG1 THR A 19 -6.251 -5.744 -4.763 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.761 -3.980 -3.249 1.00 0.00 C ATOM 0 H THR A 19 -5.901 -1.534 -5.297 1.00 0.00 H new ATOM 0 HA THR A 19 -6.798 -4.079 -6.517 1.00 0.00 H new ATOM 0 HB THR A 19 -4.745 -4.376 -5.085 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.722 -6.311 -4.163 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.183 -4.689 -2.656 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.311 -2.990 -3.170 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.784 -3.944 -2.876 1.00 0.00 H new ATOM 301 N GLU A 20 -9.003 -3.727 -5.287 1.00 0.00 N ATOM 302 CA GLU A 20 -10.325 -3.360 -4.783 1.00 0.00 C ATOM 303 C GLU A 20 -10.524 -4.202 -3.532 1.00 0.00 C ATOM 304 O GLU A 20 -10.545 -5.430 -3.631 1.00 0.00 O ATOM 305 CB GLU A 20 -11.408 -3.634 -5.831 1.00 0.00 C ATOM 306 CG GLU A 20 -11.438 -2.509 -6.870 1.00 0.00 C ATOM 307 CD GLU A 20 -12.185 -2.879 -8.149 1.00 0.00 C ATOM 308 OE1 GLU A 20 -11.973 -3.987 -8.701 1.00 0.00 O ATOM 309 OE2 GLU A 20 -12.818 -1.967 -8.741 1.00 0.00 O ATOM 0 H GLU A 20 -8.993 -4.608 -5.801 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.397 -2.296 -4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.215 -4.587 -6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.381 -3.717 -5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.905 -1.629 -6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.415 -2.233 -7.124 1.00 0.00 H new ATOM 316 N ALA A 21 -10.614 -3.568 -2.363 1.00 0.00 N ATOM 317 CA ALA A 21 -10.787 -4.261 -1.094 1.00 0.00 C ATOM 318 C ALA A 21 -12.090 -3.832 -0.425 1.00 0.00 C ATOM 319 O ALA A 21 -12.601 -2.736 -0.659 1.00 0.00 O ATOM 320 CB ALA A 21 -9.570 -4.000 -0.203 1.00 0.00 C ATOM 0 H ALA A 21 -10.568 -2.553 -2.273 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.857 -5.335 -1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.697 -4.518 0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.671 -4.367 -0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.474 -2.929 -0.023 1.00 0.00 H new ATOM 326 N VAL A 22 -12.608 -4.700 0.440 1.00 0.00 N ATOM 327 CA VAL A 22 -13.856 -4.464 1.156 1.00 0.00 C ATOM 328 C VAL A 22 -13.731 -3.329 2.168 1.00 0.00 C ATOM 329 O VAL A 22 -14.685 -2.572 2.316 1.00 0.00 O ATOM 330 CB VAL A 22 -14.357 -5.754 1.840 1.00 0.00 C ATOM 331 CG1 VAL A 22 -14.771 -6.795 0.789 1.00 0.00 C ATOM 332 CG2 VAL A 22 -13.338 -6.351 2.827 1.00 0.00 C ATOM 0 H VAL A 22 -12.169 -5.593 0.665 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.595 -4.159 0.415 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.229 -5.474 2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.121 -7.698 1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.571 -6.389 0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.914 -7.038 0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -13.751 -7.256 3.274 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.418 -6.596 2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.123 -5.625 3.611 1.00 0.00 H new ATOM 342 N ASP A 23 -12.583 -3.185 2.834 1.00 0.00 N ATOM 343 CA ASP A 23 -12.342 -2.159 3.841 1.00 0.00 C ATOM 344 C ASP A 23 -10.845 -1.892 3.890 1.00 0.00 C ATOM 345 O ASP A 23 -10.046 -2.704 3.402 1.00 0.00 O ATOM 346 CB ASP A 23 -12.794 -2.642 5.235 1.00 0.00 C ATOM 347 CG ASP A 23 -14.293 -2.914 5.317 1.00 0.00 C ATOM 348 OD1 ASP A 23 -15.083 -1.950 5.402 1.00 0.00 O ATOM 349 OD2 ASP A 23 -14.680 -4.104 5.245 1.00 0.00 O ATOM 0 H ASP A 23 -11.779 -3.794 2.682 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.903 -1.262 3.580 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.251 -3.552 5.491 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.526 -1.891 5.978 1.00 0.00 H new ATOM 354 N ALA A 24 -10.460 -0.794 4.547 1.00 0.00 N ATOM 355 CA ALA A 24 -9.073 -0.386 4.684 1.00 0.00 C ATOM 356 C ALA A 24 -8.256 -1.437 5.434 1.00 0.00 C ATOM 357 O ALA A 24 -7.072 -1.583 5.147 1.00 0.00 O ATOM 358 CB ALA A 24 -9.006 0.971 5.389 1.00 0.00 C ATOM 0 H ALA A 24 -11.117 -0.160 5.002 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.636 -0.291 3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.965 1.277 5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.546 1.713 4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.459 0.891 6.377 1.00 0.00 H new ATOM 364 N ALA A 25 -8.871 -2.202 6.344 1.00 0.00 N ATOM 365 CA ALA A 25 -8.163 -3.229 7.096 1.00 0.00 C ATOM 366 C ALA A 25 -7.653 -4.314 6.146 1.00 0.00 C ATOM 367 O ALA A 25 -6.505 -4.744 6.236 1.00 0.00 O ATOM 368 CB ALA A 25 -9.078 -3.815 8.172 1.00 0.00 C ATOM 0 H ALA A 25 -9.862 -2.124 6.573 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.301 -2.784 7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.540 -4.582 8.729 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.391 -3.024 8.854 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.956 -4.257 7.701 1.00 0.00 H new ATOM 374 N THR A 26 -8.507 -4.768 5.228 1.00 0.00 N ATOM 375 CA THR A 26 -8.154 -5.781 4.246 1.00 0.00 C ATOM 376 C THR A 26 -7.119 -5.187 3.294 1.00 0.00 C ATOM 377 O THR A 26 -6.122 -5.836 2.982 1.00 0.00 O ATOM 378 CB THR A 26 -9.421 -6.204 3.489 1.00 0.00 C ATOM 379 OG1 THR A 26 -10.448 -6.528 4.413 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.183 -7.402 2.578 1.00 0.00 C ATOM 0 H THR A 26 -9.469 -4.438 5.149 1.00 0.00 H new ATOM 0 HA THR A 26 -7.730 -6.663 4.726 1.00 0.00 H new ATOM 0 HB THR A 26 -9.715 -5.360 2.865 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.035 -7.209 4.024 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.110 -7.660 2.067 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.419 -7.153 1.841 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.849 -8.251 3.174 1.00 0.00 H new ATOM 388 N ALA A 27 -7.347 -3.939 2.866 1.00 0.00 N ATOM 389 CA ALA A 27 -6.465 -3.241 1.955 1.00 0.00 C ATOM 390 C ALA A 27 -5.040 -3.197 2.509 1.00 0.00 C ATOM 391 O ALA A 27 -4.085 -3.535 1.805 1.00 0.00 O ATOM 392 CB ALA A 27 -7.004 -1.829 1.696 1.00 0.00 C ATOM 0 H ALA A 27 -8.159 -3.391 3.151 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.431 -3.779 1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.338 -1.306 1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.999 -1.894 1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.058 -1.282 2.637 1.00 0.00 H new ATOM 398 N GLU A 28 -4.909 -2.823 3.780 1.00 0.00 N ATOM 399 CA GLU A 28 -3.652 -2.717 4.496 1.00 0.00 C ATOM 400 C GLU A 28 -2.893 -4.041 4.473 1.00 0.00 C ATOM 401 O GLU A 28 -1.689 -4.038 4.256 1.00 0.00 O ATOM 402 CB GLU A 28 -3.923 -2.261 5.938 1.00 0.00 C ATOM 403 CG GLU A 28 -2.637 -2.002 6.737 1.00 0.00 C ATOM 404 CD GLU A 28 -2.923 -2.015 8.236 1.00 0.00 C ATOM 405 OE1 GLU A 28 -2.927 -3.125 8.827 1.00 0.00 O ATOM 406 OE2 GLU A 28 -3.135 -0.929 8.823 1.00 0.00 O ATOM 0 H GLU A 28 -5.713 -2.577 4.358 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.024 -1.976 4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.522 -1.350 5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.515 -3.021 6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.894 -2.762 6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.212 -1.040 6.451 1.00 0.00 H new ATOM 413 N LYS A 29 -3.562 -5.170 4.727 1.00 0.00 N ATOM 414 CA LYS A 29 -2.918 -6.487 4.733 1.00 0.00 C ATOM 415 C LYS A 29 -2.455 -6.852 3.329 1.00 0.00 C ATOM 416 O LYS A 29 -1.279 -7.178 3.167 1.00 0.00 O ATOM 417 CB LYS A 29 -3.906 -7.564 5.208 1.00 0.00 C ATOM 418 CG LYS A 29 -4.429 -7.360 6.634 1.00 0.00 C ATOM 419 CD LYS A 29 -5.716 -8.168 6.850 1.00 0.00 C ATOM 420 CE LYS A 29 -6.468 -7.725 8.107 1.00 0.00 C ATOM 421 NZ LYS A 29 -5.733 -8.034 9.350 1.00 0.00 N ATOM 0 H LYS A 29 -4.561 -5.197 4.933 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.065 -6.441 5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.754 -7.589 4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.419 -8.538 5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.672 -7.670 7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.622 -6.302 6.810 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.365 -8.055 5.981 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.470 -9.227 6.929 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.652 -6.652 8.056 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.442 -8.214 8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.287 -7.713 10.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.579 -9.060 9.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.814 -7.546 9.341 1.00 0.00 H new ATOM 435 N VAL A 30 -3.337 -6.733 2.328 1.00 0.00 N ATOM 436 CA VAL A 30 -2.996 -7.074 0.945 1.00 0.00 C ATOM 437 C VAL A 30 -1.751 -6.308 0.533 1.00 0.00 C ATOM 438 O VAL A 30 -0.762 -6.890 0.079 1.00 0.00 O ATOM 439 CB VAL A 30 -4.213 -6.848 0.030 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.882 -6.816 -1.470 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.181 -8.004 0.270 1.00 0.00 C ATOM 0 H VAL A 30 -4.294 -6.402 2.453 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.752 -8.132 0.851 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.625 -5.870 0.279 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.796 -6.653 -2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.179 -6.007 -1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.435 -7.766 -1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.060 -7.880 -0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.690 -8.946 0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.485 -8.012 1.317 1.00 0.00 H new ATOM 451 N PHE A 31 -1.787 -4.993 0.718 1.00 0.00 N ATOM 452 CA PHE A 31 -0.666 -4.145 0.395 1.00 0.00 C ATOM 453 C PHE A 31 0.547 -4.483 1.253 1.00 0.00 C ATOM 454 O PHE A 31 1.639 -4.512 0.694 1.00 0.00 O ATOM 455 CB PHE A 31 -1.098 -2.691 0.496 1.00 0.00 C ATOM 456 CG PHE A 31 -2.000 -2.191 -0.621 1.00 0.00 C ATOM 457 CD1 PHE A 31 -2.068 -2.824 -1.886 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.721 -1.002 -0.409 1.00 0.00 C ATOM 459 CE1 PHE A 31 -2.827 -2.264 -2.925 1.00 0.00 C ATOM 460 CE2 PHE A 31 -3.456 -0.431 -1.463 1.00 0.00 C ATOM 461 CZ PHE A 31 -3.510 -1.059 -2.718 1.00 0.00 C ATOM 0 H PHE A 31 -2.594 -4.495 1.095 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.347 -4.322 -0.632 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.614 -2.550 1.445 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.205 -2.067 0.523 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.531 -3.746 -2.053 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.710 -0.528 0.562 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.884 -2.761 -3.882 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.983 0.498 -1.306 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.077 -0.614 -3.522 1.00 0.00 H new ATOM 471 N LYS A 32 0.413 -4.770 2.553 1.00 0.00 N ATOM 472 CA LYS A 32 1.548 -5.137 3.409 1.00 0.00 C ATOM 473 C LYS A 32 2.260 -6.326 2.805 1.00 0.00 C ATOM 474 O LYS A 32 3.477 -6.287 2.670 1.00 0.00 O ATOM 475 CB LYS A 32 1.109 -5.447 4.851 1.00 0.00 C ATOM 476 CG LYS A 32 1.412 -4.268 5.794 1.00 0.00 C ATOM 477 CD LYS A 32 2.541 -4.636 6.762 1.00 0.00 C ATOM 478 CE LYS A 32 3.058 -3.403 7.528 1.00 0.00 C ATOM 479 NZ LYS A 32 4.417 -3.571 8.099 1.00 0.00 N ATOM 0 H LYS A 32 -0.483 -4.755 3.041 1.00 0.00 H new ATOM 0 HA LYS A 32 2.226 -4.285 3.462 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.041 -5.665 4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.623 -6.340 5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.695 -3.391 5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.516 -4.002 6.355 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.183 -5.382 7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.362 -5.091 6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.062 -2.546 6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.363 -3.172 8.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.457 -3.125 9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.633 -4.584 8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.115 -3.122 7.472 1.00 0.00 H new ATOM 493 N GLN A 33 1.513 -7.351 2.409 1.00 0.00 N ATOM 494 CA GLN A 33 2.059 -8.539 1.814 1.00 0.00 C ATOM 495 C GLN A 33 2.781 -8.171 0.525 1.00 0.00 C ATOM 496 O GLN A 33 3.894 -8.633 0.297 1.00 0.00 O ATOM 497 CB GLN A 33 0.910 -9.517 1.533 1.00 0.00 C ATOM 498 CG GLN A 33 1.436 -10.934 1.326 1.00 0.00 C ATOM 499 CD GLN A 33 1.785 -11.558 2.669 1.00 0.00 C ATOM 500 OE1 GLN A 33 0.904 -11.949 3.434 1.00 0.00 O ATOM 501 NE2 GLN A 33 3.044 -11.546 3.060 1.00 0.00 N ATOM 0 H GLN A 33 0.497 -7.368 2.499 1.00 0.00 H new ATOM 0 HA GLN A 33 2.775 -9.011 2.487 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.206 -9.505 2.365 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.363 -9.195 0.647 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.685 -11.539 0.818 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.317 -10.914 0.684 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.772 -11.221 2.424 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.290 -11.861 3.998 1.00 0.00 H new ATOM 510 N TYR A 34 2.163 -7.329 -0.298 1.00 0.00 N ATOM 511 CA TYR A 34 2.757 -6.931 -1.567 1.00 0.00 C ATOM 512 C TYR A 34 4.057 -6.159 -1.343 1.00 0.00 C ATOM 513 O TYR A 34 5.047 -6.361 -2.038 1.00 0.00 O ATOM 514 CB TYR A 34 1.738 -6.132 -2.384 1.00 0.00 C ATOM 515 CG TYR A 34 2.231 -5.757 -3.766 1.00 0.00 C ATOM 516 CD1 TYR A 34 2.972 -4.576 -3.934 1.00 0.00 C ATOM 517 CD2 TYR A 34 1.999 -6.599 -4.872 1.00 0.00 C ATOM 518 CE1 TYR A 34 3.458 -4.228 -5.202 1.00 0.00 C ATOM 519 CE2 TYR A 34 2.470 -6.244 -6.153 1.00 0.00 C ATOM 520 CZ TYR A 34 3.198 -5.044 -6.322 1.00 0.00 C ATOM 521 OH TYR A 34 3.656 -4.633 -7.535 1.00 0.00 O ATOM 0 H TYR A 34 1.252 -6.910 -0.108 1.00 0.00 H new ATOM 0 HA TYR A 34 3.020 -7.821 -2.139 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.823 -6.716 -2.480 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.481 -5.223 -1.840 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.167 -3.936 -3.086 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.456 -7.523 -4.738 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.038 -3.325 -5.322 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.276 -6.885 -7.000 1.00 0.00 H new ATOM 0 HH TYR A 34 3.408 -5.290 -8.218 1.00 0.00 H new ATOM 531 N ALA A 35 4.091 -5.253 -0.376 1.00 0.00 N ATOM 532 CA ALA A 35 5.286 -4.472 -0.093 1.00 0.00 C ATOM 533 C ALA A 35 6.378 -5.381 0.454 1.00 0.00 C ATOM 534 O ALA A 35 7.504 -5.323 -0.033 1.00 0.00 O ATOM 535 CB ALA A 35 4.948 -3.353 0.866 1.00 0.00 C ATOM 0 H ALA A 35 3.298 -5.040 0.230 1.00 0.00 H new ATOM 0 HA ALA A 35 5.662 -4.020 -1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.845 -2.770 1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.192 -2.707 0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.563 -3.774 1.795 1.00 0.00 H new ATOM 541 N ASN A 36 6.034 -6.262 1.399 1.00 0.00 N ATOM 542 CA ASN A 36 6.974 -7.219 1.982 1.00 0.00 C ATOM 543 C ASN A 36 7.549 -8.091 0.864 1.00 0.00 C ATOM 544 O ASN A 36 8.706 -8.495 0.948 1.00 0.00 O ATOM 545 CB ASN A 36 6.325 -8.069 3.102 1.00 0.00 C ATOM 546 CG ASN A 36 6.366 -9.580 2.873 1.00 0.00 C ATOM 547 OD1 ASN A 36 7.098 -10.312 3.528 1.00 0.00 O ATOM 548 ND2 ASN A 36 5.545 -10.086 1.971 1.00 0.00 N ATOM 0 H ASN A 36 5.091 -6.330 1.781 1.00 0.00 H new ATOM 0 HA ASN A 36 7.784 -6.670 2.462 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.827 -7.846 4.044 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.285 -7.762 3.214 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.517 -11.094 1.815 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.939 -9.469 1.430 1.00 0.00 H new ATOM 555 N ASP A 37 6.765 -8.362 -0.189 1.00 0.00 N ATOM 556 CA ASP A 37 7.210 -9.171 -1.316 1.00 0.00 C ATOM 557 C ASP A 37 8.328 -8.435 -2.052 1.00 0.00 C ATOM 558 O ASP A 37 9.342 -9.021 -2.436 1.00 0.00 O ATOM 559 CB ASP A 37 6.070 -9.486 -2.291 1.00 0.00 C ATOM 560 CG ASP A 37 6.602 -10.403 -3.393 1.00 0.00 C ATOM 561 OD1 ASP A 37 7.336 -11.373 -3.077 1.00 0.00 O ATOM 562 OD2 ASP A 37 6.340 -10.145 -4.589 1.00 0.00 O ATOM 0 H ASP A 37 5.807 -8.024 -0.277 1.00 0.00 H new ATOM 0 HA ASP A 37 7.572 -10.121 -0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.246 -9.968 -1.765 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.678 -8.565 -2.723 1.00 0.00 H new ATOM 567 N ASN A 38 8.145 -7.131 -2.244 1.00 0.00 N ATOM 568 CA ASN A 38 9.112 -6.256 -2.893 1.00 0.00 C ATOM 569 C ASN A 38 10.249 -5.902 -1.917 1.00 0.00 C ATOM 570 O ASN A 38 11.222 -5.264 -2.311 1.00 0.00 O ATOM 571 CB ASN A 38 8.424 -4.981 -3.401 1.00 0.00 C ATOM 572 CG ASN A 38 7.508 -5.209 -4.596 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.916 -5.116 -5.747 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.246 -5.504 -4.350 1.00 0.00 N ATOM 0 H ASN A 38 7.300 -6.644 -1.945 1.00 0.00 H new ATOM 0 HA ASN A 38 9.539 -6.781 -3.748 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.843 -4.545 -2.588 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.187 -4.252 -3.674 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.598 -5.657 -5.123 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.918 -5.579 -3.387 1.00 0.00 H new ATOM 581 N GLY A 39 10.153 -6.308 -0.647 1.00 0.00 N ATOM 582 CA GLY A 39 11.138 -6.057 0.395 1.00 0.00 C ATOM 583 C GLY A 39 11.103 -4.610 0.848 1.00 0.00 C ATOM 584 O GLY A 39 12.159 -4.031 1.106 1.00 0.00 O ATOM 0 H GLY A 39 9.352 -6.842 -0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.946 -6.711 1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.134 -6.300 0.024 1.00 0.00 H new ATOM 588 N VAL A 40 9.911 -4.024 0.907 1.00 0.00 N ATOM 589 CA VAL A 40 9.663 -2.658 1.318 1.00 0.00 C ATOM 590 C VAL A 40 8.835 -2.723 2.585 1.00 0.00 C ATOM 591 O VAL A 40 7.745 -3.295 2.593 1.00 0.00 O ATOM 592 CB VAL A 40 8.857 -1.887 0.258 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.779 -0.396 0.617 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.406 -2.068 -1.159 1.00 0.00 C ATOM 0 H VAL A 40 9.055 -4.518 0.656 1.00 0.00 H new ATOM 0 HA VAL A 40 10.614 -2.145 1.462 1.00 0.00 H new ATOM 0 HB VAL A 40 7.853 -2.311 0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.205 0.132 -0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.291 -0.280 1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.785 0.020 0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.795 -1.500 -1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.434 -1.709 -1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.380 -3.124 -1.427 1.00 0.00 H new ATOM 604 N ASP A 41 9.347 -2.145 3.660 1.00 0.00 N ATOM 605 CA ASP A 41 8.627 -2.109 4.912 1.00 0.00 C ATOM 606 C ASP A 41 9.163 -0.932 5.701 1.00 0.00 C ATOM 607 O ASP A 41 10.293 -0.972 6.186 1.00 0.00 O ATOM 608 CB ASP A 41 8.769 -3.410 5.680 1.00 0.00 C ATOM 609 CG ASP A 41 7.925 -3.352 6.950 1.00 0.00 C ATOM 610 OD1 ASP A 41 6.780 -2.828 6.903 1.00 0.00 O ATOM 611 OD2 ASP A 41 8.402 -3.858 7.986 1.00 0.00 O ATOM 0 H ASP A 41 10.262 -1.694 3.685 1.00 0.00 H new ATOM 0 HA ASP A 41 7.559 -1.990 4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.451 -4.247 5.058 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.815 -3.581 5.934 1.00 0.00 H new ATOM 616 N GLY A 42 8.374 0.132 5.753 1.00 0.00 N ATOM 617 CA GLY A 42 8.708 1.362 6.454 1.00 0.00 C ATOM 618 C GLY A 42 7.494 1.952 7.135 1.00 0.00 C ATOM 619 O GLY A 42 6.681 1.213 7.685 1.00 0.00 O ATOM 0 H GLY A 42 7.462 0.164 5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.482 1.162 7.195 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.120 2.085 5.749 1.00 0.00 H new ATOM 623 N GLU A 43 7.386 3.279 7.141 1.00 0.00 N ATOM 624 CA GLU A 43 6.261 3.966 7.745 1.00 0.00 C ATOM 625 C GLU A 43 5.110 3.954 6.745 1.00 0.00 C ATOM 626 O GLU A 43 5.222 4.531 5.658 1.00 0.00 O ATOM 627 CB GLU A 43 6.615 5.407 8.138 1.00 0.00 C ATOM 628 CG GLU A 43 5.423 6.032 8.891 1.00 0.00 C ATOM 629 CD GLU A 43 5.623 7.494 9.287 1.00 0.00 C ATOM 630 OE1 GLU A 43 6.783 7.957 9.368 1.00 0.00 O ATOM 631 OE2 GLU A 43 4.604 8.171 9.561 1.00 0.00 O ATOM 0 H GLU A 43 8.079 3.902 6.726 1.00 0.00 H new ATOM 0 HA GLU A 43 5.978 3.452 8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.505 5.417 8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.847 5.993 7.249 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.534 5.956 8.265 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.231 5.448 9.791 1.00 0.00 H new ATOM 638 N TRP A 44 4.032 3.268 7.112 1.00 0.00 N ATOM 639 CA TRP A 44 2.831 3.161 6.306 1.00 0.00 C ATOM 640 C TRP A 44 1.916 4.342 6.629 1.00 0.00 C ATOM 641 O TRP A 44 1.627 4.598 7.798 1.00 0.00 O ATOM 642 CB TRP A 44 2.124 1.834 6.579 1.00 0.00 C ATOM 643 CG TRP A 44 2.856 0.624 6.071 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.987 0.107 6.596 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.581 -0.184 4.894 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.453 -0.933 5.816 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.609 -1.161 4.758 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.584 -0.167 3.902 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.638 -2.078 3.706 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.603 -1.079 2.835 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.621 -2.033 2.737 1.00 0.00 C ATOM 0 H TRP A 44 3.972 2.763 7.996 1.00 0.00 H new ATOM 0 HA TRP A 44 3.092 3.186 5.248 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.976 1.729 7.654 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.135 1.863 6.123 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.462 0.458 7.500 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.307 -1.459 6.001 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.789 0.561 3.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.429 -2.810 3.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.827 -1.044 2.085 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.626 -2.735 1.917 1.00 0.00 H new ATOM 662 N THR A 45 1.398 4.997 5.598 1.00 0.00 N ATOM 663 CA THR A 45 0.512 6.154 5.662 1.00 0.00 C ATOM 664 C THR A 45 -0.786 5.865 4.896 1.00 0.00 C ATOM 665 O THR A 45 -0.873 4.844 4.204 1.00 0.00 O ATOM 666 CB THR A 45 1.245 7.383 5.093 1.00 0.00 C ATOM 667 OG1 THR A 45 1.365 7.245 3.692 1.00 0.00 O ATOM 668 CG2 THR A 45 2.655 7.582 5.664 1.00 0.00 C ATOM 0 H THR A 45 1.597 4.719 4.637 1.00 0.00 H new ATOM 0 HA THR A 45 0.242 6.362 6.697 1.00 0.00 H new ATOM 0 HB THR A 45 0.648 8.250 5.376 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.710 6.353 3.480 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.108 8.467 5.216 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.595 7.713 6.744 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.266 6.708 5.438 1.00 0.00 H new ATOM 676 N TYR A 46 -1.801 6.729 4.968 1.00 0.00 N ATOM 677 CA TYR A 46 -3.064 6.538 4.266 1.00 0.00 C ATOM 678 C TYR A 46 -3.691 7.895 3.948 1.00 0.00 C ATOM 679 O TYR A 46 -3.563 8.836 4.729 1.00 0.00 O ATOM 680 CB TYR A 46 -3.996 5.683 5.140 1.00 0.00 C ATOM 681 CG TYR A 46 -5.374 5.428 4.556 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.511 4.701 3.358 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.522 5.913 5.211 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.784 4.461 2.813 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.799 5.660 4.684 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.935 4.933 3.481 1.00 0.00 C ATOM 687 OH TYR A 46 -9.166 4.697 2.953 1.00 0.00 O ATOM 0 H TYR A 46 -1.765 7.586 5.520 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.896 6.019 3.322 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.514 4.723 5.326 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.113 6.174 6.106 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.632 4.325 2.855 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.420 6.482 6.123 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.882 3.917 1.885 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.677 6.021 5.199 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.854 5.030 3.566 1.00 0.00 H new ATOM 697 N ASP A 47 -4.383 7.985 2.814 1.00 0.00 N ATOM 698 CA ASP A 47 -5.079 9.168 2.325 1.00 0.00 C ATOM 699 C ASP A 47 -6.388 8.666 1.714 1.00 0.00 C ATOM 700 O ASP A 47 -6.424 8.262 0.546 1.00 0.00 O ATOM 701 CB ASP A 47 -4.280 9.964 1.273 1.00 0.00 C ATOM 702 CG ASP A 47 -3.234 10.919 1.863 1.00 0.00 C ATOM 703 OD1 ASP A 47 -3.648 12.017 2.311 1.00 0.00 O ATOM 704 OD2 ASP A 47 -2.010 10.658 1.776 1.00 0.00 O ATOM 0 H ASP A 47 -4.477 7.192 2.180 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.234 9.860 3.153 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.779 9.262 0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.977 10.539 0.664 1.00 0.00 H new ATOM 709 N ASP A 48 -7.469 8.648 2.497 1.00 0.00 N ATOM 710 CA ASP A 48 -8.810 8.207 2.086 1.00 0.00 C ATOM 711 C ASP A 48 -9.326 9.020 0.899 1.00 0.00 C ATOM 712 O ASP A 48 -10.053 8.514 0.042 1.00 0.00 O ATOM 713 CB ASP A 48 -9.799 8.340 3.248 1.00 0.00 C ATOM 714 CG ASP A 48 -10.921 7.304 3.147 1.00 0.00 C ATOM 715 OD1 ASP A 48 -11.781 7.376 2.244 1.00 0.00 O ATOM 716 OD2 ASP A 48 -10.952 6.381 3.996 1.00 0.00 O ATOM 0 H ASP A 48 -7.437 8.951 3.471 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.729 7.162 1.788 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.271 8.216 4.193 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.227 9.343 3.251 1.00 0.00 H new ATOM 721 N ALA A 49 -8.877 10.272 0.802 1.00 0.00 N ATOM 722 CA ALA A 49 -9.198 11.244 -0.242 1.00 0.00 C ATOM 723 C ALA A 49 -8.995 10.662 -1.646 1.00 0.00 C ATOM 724 O ALA A 49 -9.655 11.070 -2.603 1.00 0.00 O ATOM 725 CB ALA A 49 -8.292 12.451 -0.043 1.00 0.00 C ATOM 0 H ALA A 49 -8.238 10.659 1.496 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.249 11.523 -0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.507 13.197 -0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.470 12.881 0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.250 12.141 -0.121 1.00 0.00 H new ATOM 731 N THR A 50 -8.051 9.732 -1.780 1.00 0.00 N ATOM 732 CA THR A 50 -7.744 9.027 -3.018 1.00 0.00 C ATOM 733 C THR A 50 -7.569 7.524 -2.698 1.00 0.00 C ATOM 734 O THR A 50 -7.031 6.760 -3.505 1.00 0.00 O ATOM 735 CB THR A 50 -6.552 9.720 -3.708 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.251 9.079 -4.932 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.318 9.779 -2.800 1.00 0.00 C ATOM 0 H THR A 50 -7.460 9.440 -1.001 1.00 0.00 H new ATOM 0 HA THR A 50 -8.553 9.073 -3.747 1.00 0.00 H new ATOM 0 HB THR A 50 -6.843 10.750 -3.915 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.442 8.121 -4.855 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.502 10.275 -3.326 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.558 10.337 -1.895 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.015 8.767 -2.532 1.00 0.00 H new ATOM 745 N LYS A 51 -8.019 7.071 -1.517 1.00 0.00 N ATOM 746 CA LYS A 51 -7.910 5.702 -1.015 1.00 0.00 C ATOM 747 C LYS A 51 -6.523 5.156 -1.344 1.00 0.00 C ATOM 748 O LYS A 51 -6.391 4.118 -1.991 1.00 0.00 O ATOM 749 CB LYS A 51 -9.048 4.838 -1.570 1.00 0.00 C ATOM 750 CG LYS A 51 -10.426 5.217 -1.018 1.00 0.00 C ATOM 751 CD LYS A 51 -11.455 4.164 -1.449 1.00 0.00 C ATOM 752 CE LYS A 51 -11.935 4.268 -2.896 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.753 5.467 -3.142 1.00 0.00 N ATOM 0 H LYS A 51 -8.493 7.686 -0.856 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.018 5.684 0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.064 4.925 -2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.847 3.792 -1.337 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.389 5.282 0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.719 6.200 -1.386 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.022 3.175 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.321 4.237 -0.791 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.071 4.281 -3.560 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.516 3.380 -3.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.107 5.451 -4.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.557 5.480 -2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.173 6.318 -2.997 1.00 0.00 H new ATOM 767 N THR A 52 -5.481 5.896 -0.985 1.00 0.00 N ATOM 768 CA THR A 52 -4.118 5.500 -1.273 1.00 0.00 C ATOM 769 C THR A 52 -3.357 5.280 0.024 1.00 0.00 C ATOM 770 O THR A 52 -3.635 5.923 1.032 1.00 0.00 O ATOM 771 CB THR A 52 -3.486 6.571 -2.172 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.206 6.679 -3.394 1.00 0.00 O ATOM 773 CG2 THR A 52 -2.035 6.271 -2.538 1.00 0.00 C ATOM 0 H THR A 52 -5.562 6.783 -0.488 1.00 0.00 H new ATOM 0 HA THR A 52 -4.085 4.551 -1.808 1.00 0.00 H new ATOM 0 HB THR A 52 -3.523 7.494 -1.593 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.167 6.704 -3.206 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.648 7.067 -3.175 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.436 6.210 -1.630 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.983 5.322 -3.072 1.00 0.00 H new ATOM 781 N PHE A 53 -2.391 4.374 -0.022 1.00 0.00 N ATOM 782 CA PHE A 53 -1.503 3.988 1.050 1.00 0.00 C ATOM 783 C PHE A 53 -0.095 4.191 0.528 1.00 0.00 C ATOM 784 O PHE A 53 0.146 3.949 -0.653 1.00 0.00 O ATOM 785 CB PHE A 53 -1.679 2.499 1.339 1.00 0.00 C ATOM 786 CG PHE A 53 -2.903 2.150 2.143 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.850 2.128 3.548 1.00 0.00 C ATOM 788 CD2 PHE A 53 -4.065 1.758 1.469 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.952 1.657 4.281 1.00 0.00 C ATOM 790 CE2 PHE A 53 -5.166 1.281 2.202 1.00 0.00 C ATOM 791 CZ PHE A 53 -5.107 1.222 3.606 1.00 0.00 C ATOM 0 H PHE A 53 -2.198 3.854 -0.878 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.703 4.565 1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.719 1.962 0.391 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.798 2.140 1.871 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.965 2.472 4.062 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.116 1.821 0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.913 1.629 5.360 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.059 0.959 1.686 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.949 0.843 4.166 1.00 0.00 H new ATOM 801 N THR A 54 0.832 4.651 1.359 1.00 0.00 N ATOM 802 CA THR A 54 2.213 4.834 0.944 1.00 0.00 C ATOM 803 C THR A 54 3.095 4.247 2.034 1.00 0.00 C ATOM 804 O THR A 54 2.790 4.415 3.212 1.00 0.00 O ATOM 805 CB THR A 54 2.516 6.307 0.653 1.00 0.00 C ATOM 806 OG1 THR A 54 1.502 6.830 -0.185 1.00 0.00 O ATOM 807 CG2 THR A 54 3.880 6.474 -0.015 1.00 0.00 C ATOM 0 H THR A 54 0.649 4.905 2.330 1.00 0.00 H new ATOM 0 HA THR A 54 2.412 4.315 0.006 1.00 0.00 H new ATOM 0 HB THR A 54 2.540 6.851 1.598 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.688 7.773 -0.374 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.064 7.531 -0.208 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.657 6.085 0.642 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.893 5.926 -0.957 1.00 0.00 H new ATOM 815 N VAL A 55 4.141 3.517 1.667 1.00 0.00 N ATOM 816 CA VAL A 55 5.070 2.918 2.615 1.00 0.00 C ATOM 817 C VAL A 55 6.419 3.564 2.348 1.00 0.00 C ATOM 818 O VAL A 55 6.998 3.368 1.278 1.00 0.00 O ATOM 819 CB VAL A 55 5.039 1.381 2.562 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.233 0.786 1.166 1.00 0.00 C ATOM 821 CG2 VAL A 55 6.084 0.791 3.520 1.00 0.00 C ATOM 0 H VAL A 55 4.370 3.323 0.692 1.00 0.00 H new ATOM 0 HA VAL A 55 4.794 3.114 3.651 1.00 0.00 H new ATOM 0 HB VAL A 55 4.031 1.106 2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.197 -0.302 1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.441 1.140 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.200 1.095 0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.049 -0.297 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.077 1.136 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.868 1.115 4.538 1.00 0.00 H new ATOM 831 N THR A 56 6.887 4.370 3.294 1.00 0.00 N ATOM 832 CA THR A 56 8.149 5.077 3.190 1.00 0.00 C ATOM 833 C THR A 56 9.207 4.287 3.959 1.00 0.00 C ATOM 834 O THR A 56 9.257 4.343 5.194 1.00 0.00 O ATOM 835 CB THR A 56 8.020 6.503 3.734 1.00 0.00 C ATOM 836 OG1 THR A 56 6.696 7.001 3.612 1.00 0.00 O ATOM 837 CG2 THR A 56 8.970 7.442 2.993 1.00 0.00 C ATOM 0 H THR A 56 6.390 4.550 4.166 1.00 0.00 H new ATOM 0 HA THR A 56 8.444 5.160 2.144 1.00 0.00 H new ATOM 0 HB THR A 56 8.279 6.464 4.792 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.655 7.912 3.971 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.867 8.452 3.390 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.997 7.102 3.128 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.725 7.444 1.931 1.00 0.00 H new ATOM 845 N GLU A 57 9.964 3.459 3.248 1.00 0.00 N ATOM 846 CA GLU A 57 11.032 2.642 3.803 1.00 0.00 C ATOM 847 C GLU A 57 12.051 3.572 4.442 1.00 0.00 C ATOM 848 O GLU A 57 12.343 4.633 3.854 1.00 0.00 O ATOM 849 CB GLU A 57 11.663 1.798 2.698 1.00 0.00 C ATOM 850 CG GLU A 57 12.439 0.597 3.234 1.00 0.00 C ATOM 851 CD GLU A 57 13.594 0.207 2.298 1.00 0.00 C ATOM 852 OE1 GLU A 57 13.451 0.389 1.069 1.00 0.00 O ATOM 853 OE2 GLU A 57 14.661 -0.239 2.775 1.00 0.00 O ATOM 0 H GLU A 57 9.847 3.336 2.242 1.00 0.00 H new ATOM 0 HA GLU A 57 10.647 1.957 4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.881 1.447 2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.334 2.423 2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.834 0.830 4.223 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.764 -0.250 3.352 1.00 0.00 H new