USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 535 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 Single : A 1 GLY N :NH3+ -130:sc= 0.058 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 37:sc= -0.0421 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 18 SER OG : rot -86:sc= 0.592 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.26) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= 0.244 (180deg=0.00897) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 173:sc= 2.17 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -7:sc= 0.988 USER MOD Single : A 47 THR OG1 : rot -130:sc= -1.31 USER MOD Single : A 54 THR OG1 : rot -147:sc= 0.384 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 163:sc= -4.43! (180deg=-5.78!) USER MOD Single : A 67 THR OG1 : rot -70:sc= 0.734 USER MOD Single : A 71 TYR OH : rot -140:sc= -2.81! USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.00065) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.720 11.079 -6.432 1.00 1.49 N ATOM 2 CA GLY A 1 8.713 10.146 -5.852 1.00 1.01 C ATOM 3 C GLY A 1 8.916 8.922 -6.718 1.00 0.96 C ATOM 4 O GLY A 1 8.690 8.968 -7.929 1.00 1.71 O ATOM 0 H1 GLY A 1 8.116 12.040 -6.450 1.00 1.49 H new ATOM 0 H2 GLY A 1 7.489 10.782 -7.401 1.00 1.49 H new ATOM 0 H3 GLY A 1 6.856 11.071 -5.852 1.00 1.49 H new ATOM 0 HA2 GLY A 1 9.665 10.662 -5.726 1.00 1.01 H new ATOM 0 HA3 GLY A 1 8.384 9.837 -4.860 1.00 1.01 H new ATOM 8 N ASN A 2 9.333 7.829 -6.100 1.00 0.45 N ATOM 9 CA ASN A 2 9.586 6.588 -6.818 1.00 0.32 C ATOM 10 C ASN A 2 8.739 5.468 -6.244 1.00 0.22 C ATOM 11 O ASN A 2 8.334 5.514 -5.078 1.00 0.22 O ATOM 12 CB ASN A 2 11.065 6.203 -6.736 1.00 0.41 C ATOM 13 CG ASN A 2 11.976 7.188 -7.446 1.00 1.21 C ATOM 14 OD1 ASN A 2 11.583 7.821 -8.426 1.00 2.00 O ATOM 15 ND2 ASN A 2 13.200 7.313 -6.965 1.00 1.83 N ATOM 0 H ASN A 2 9.505 7.775 -5.096 1.00 0.45 H new ATOM 0 HA ASN A 2 9.321 6.743 -7.864 1.00 0.32 H new ATOM 0 HB2 ASN A 2 11.359 6.135 -5.689 1.00 0.41 H new ATOM 0 HB3 ASN A 2 11.201 5.213 -7.170 1.00 0.41 H new ATOM 0 HD21 ASN A 2 13.859 7.953 -7.408 1.00 1.83 H new ATOM 0 HD22 ASN A 2 13.486 6.770 -6.150 1.00 1.83 H new ATOM 22 N ALA A 3 8.460 4.473 -7.074 1.00 0.18 N ATOM 23 CA ALA A 3 7.657 3.337 -6.663 1.00 0.14 C ATOM 24 C ALA A 3 8.485 2.386 -5.814 1.00 0.15 C ATOM 25 O ALA A 3 9.430 1.756 -6.294 1.00 0.24 O ATOM 26 CB ALA A 3 7.084 2.630 -7.874 1.00 0.17 C ATOM 0 H ALA A 3 8.781 4.433 -8.041 1.00 0.18 H new ATOM 0 HA ALA A 3 6.825 3.694 -6.057 1.00 0.14 H new ATOM 0 HB1 ALA A 3 6.484 1.780 -7.549 1.00 0.17 H new ATOM 0 HB2 ALA A 3 6.458 3.322 -8.437 1.00 0.17 H new ATOM 0 HB3 ALA A 3 7.897 2.278 -8.509 1.00 0.17 H new ATOM 32 N ILE A 4 8.113 2.295 -4.552 1.00 0.10 N ATOM 33 CA ILE A 4 8.881 1.569 -3.558 1.00 0.10 C ATOM 34 C ILE A 4 8.418 0.120 -3.437 1.00 0.09 C ATOM 35 O ILE A 4 9.120 -0.727 -2.884 1.00 0.11 O ATOM 36 CB ILE A 4 8.765 2.263 -2.189 1.00 0.11 C ATOM 37 CG1 ILE A 4 7.330 2.205 -1.667 1.00 0.12 C ATOM 38 CG2 ILE A 4 9.237 3.701 -2.296 1.00 0.14 C ATOM 39 CD1 ILE A 4 7.150 2.809 -0.291 1.00 0.15 C ATOM 0 H ILE A 4 7.264 2.725 -4.185 1.00 0.10 H new ATOM 0 HA ILE A 4 9.921 1.567 -3.883 1.00 0.10 H new ATOM 0 HB ILE A 4 9.401 1.735 -1.478 1.00 0.11 H new ATOM 0 HG12 ILE A 4 6.678 2.725 -2.369 1.00 0.12 H new ATOM 0 HG13 ILE A 4 7.006 1.165 -1.641 1.00 0.12 H new ATOM 0 HG21 ILE A 4 9.152 4.185 -1.323 1.00 0.14 H new ATOM 0 HG22 ILE A 4 10.277 3.719 -2.621 1.00 0.14 H new ATOM 0 HG23 ILE A 4 8.621 4.233 -3.021 1.00 0.14 H new ATOM 0 HD11 ILE A 4 6.105 2.729 0.008 1.00 0.15 H new ATOM 0 HD12 ILE A 4 7.774 2.275 0.425 1.00 0.15 H new ATOM 0 HD13 ILE A 4 7.441 3.859 -0.314 1.00 0.15 H new ATOM 51 N GLY A 5 7.234 -0.160 -3.950 1.00 0.09 N ATOM 52 CA GLY A 5 6.707 -1.504 -3.903 1.00 0.09 C ATOM 53 C GLY A 5 5.540 -1.671 -4.832 1.00 0.08 C ATOM 54 O GLY A 5 5.118 -0.716 -5.474 1.00 0.10 O ATOM 0 H GLY A 5 6.625 0.523 -4.401 1.00 0.09 H new ATOM 0 HA2 GLY A 5 7.491 -2.213 -4.171 1.00 0.09 H new ATOM 0 HA3 GLY A 5 6.399 -1.740 -2.884 1.00 0.09 H new ATOM 58 N PHE A 6 5.022 -2.881 -4.904 1.00 0.08 N ATOM 59 CA PHE A 6 3.964 -3.199 -5.845 1.00 0.08 C ATOM 60 C PHE A 6 2.999 -4.201 -5.234 1.00 0.09 C ATOM 61 O PHE A 6 3.376 -4.993 -4.372 1.00 0.10 O ATOM 62 CB PHE A 6 4.570 -3.767 -7.121 1.00 0.09 C ATOM 63 CG PHE A 6 5.512 -2.815 -7.801 1.00 0.11 C ATOM 64 CD1 PHE A 6 5.045 -1.870 -8.711 1.00 0.15 C ATOM 65 CD2 PHE A 6 6.867 -2.864 -7.529 1.00 0.13 C ATOM 66 CE1 PHE A 6 5.918 -0.995 -9.327 1.00 0.18 C ATOM 67 CE2 PHE A 6 7.741 -1.995 -8.147 1.00 0.16 C ATOM 68 CZ PHE A 6 7.240 -1.055 -9.079 1.00 0.20 C ATOM 0 H PHE A 6 5.317 -3.664 -4.320 1.00 0.08 H new ATOM 0 HA PHE A 6 3.413 -2.289 -6.083 1.00 0.08 H new ATOM 0 HB2 PHE A 6 5.102 -4.688 -6.884 1.00 0.09 H new ATOM 0 HB3 PHE A 6 3.768 -4.030 -7.811 1.00 0.09 H new ATOM 0 HD1 PHE A 6 3.990 -1.821 -8.937 1.00 0.15 H new ATOM 0 HD2 PHE A 6 7.245 -3.591 -6.825 1.00 0.13 H new ATOM 0 HE1 PHE A 6 5.536 -0.255 -10.015 1.00 0.18 H new ATOM 0 HE2 PHE A 6 8.797 -2.031 -7.922 1.00 0.16 H new ATOM 0 HZ PHE A 6 7.917 -0.387 -9.590 1.00 0.20 H new ATOM 78 N ILE A 7 1.755 -4.159 -5.676 1.00 0.09 N ATOM 79 CA ILE A 7 0.727 -5.044 -5.140 1.00 0.09 C ATOM 80 C ILE A 7 0.818 -6.429 -5.760 1.00 0.11 C ATOM 81 O ILE A 7 0.745 -6.573 -6.978 1.00 0.14 O ATOM 82 CB ILE A 7 -0.688 -4.502 -5.401 1.00 0.10 C ATOM 83 CG1 ILE A 7 -0.779 -3.015 -5.051 1.00 0.11 C ATOM 84 CG2 ILE A 7 -1.717 -5.303 -4.614 1.00 0.10 C ATOM 85 CD1 ILE A 7 -0.482 -2.691 -3.608 1.00 0.11 C ATOM 0 H ILE A 7 1.429 -3.523 -6.404 1.00 0.09 H new ATOM 0 HA ILE A 7 0.904 -5.099 -4.066 1.00 0.09 H new ATOM 0 HB ILE A 7 -0.903 -4.610 -6.464 1.00 0.10 H new ATOM 0 HG12 ILE A 7 -0.085 -2.463 -5.684 1.00 0.11 H new ATOM 0 HG13 ILE A 7 -1.781 -2.659 -5.291 1.00 0.11 H new ATOM 0 HG21 ILE A 7 -2.713 -4.907 -4.810 1.00 0.10 H new ATOM 0 HG22 ILE A 7 -1.676 -6.348 -4.920 1.00 0.10 H new ATOM 0 HG23 ILE A 7 -1.499 -5.228 -3.549 1.00 0.10 H new ATOM 0 HD11 ILE A 7 -0.570 -1.616 -3.451 1.00 0.11 H new ATOM 0 HD12 ILE A 7 -1.192 -3.211 -2.965 1.00 0.11 H new ATOM 0 HD13 ILE A 7 0.531 -3.012 -3.364 1.00 0.11 H new ATOM 97 N THR A 8 0.965 -7.445 -4.929 1.00 0.12 N ATOM 98 CA THR A 8 1.026 -8.815 -5.416 1.00 0.15 C ATOM 99 C THR A 8 -0.198 -9.594 -4.965 1.00 0.16 C ATOM 100 O THR A 8 -0.588 -10.582 -5.587 1.00 0.20 O ATOM 101 CB THR A 8 2.308 -9.499 -4.922 1.00 0.16 C ATOM 102 OG1 THR A 8 2.378 -9.420 -3.492 1.00 0.17 O ATOM 103 CG2 THR A 8 3.521 -8.817 -5.529 1.00 0.17 C ATOM 0 H THR A 8 1.044 -7.350 -3.917 1.00 0.12 H new ATOM 0 HA THR A 8 1.040 -8.796 -6.506 1.00 0.15 H new ATOM 0 HB THR A 8 2.294 -10.546 -5.226 1.00 0.16 H new ATOM 0 HG1 THR A 8 3.197 -9.859 -3.180 1.00 0.17 H new ATOM 0 HG21 THR A 8 4.429 -9.306 -5.175 1.00 0.17 H new ATOM 0 HG22 THR A 8 3.472 -8.886 -6.616 1.00 0.17 H new ATOM 0 HG23 THR A 8 3.535 -7.768 -5.233 1.00 0.17 H new ATOM 111 N LYS A 9 -0.806 -9.133 -3.889 1.00 0.15 N ATOM 112 CA LYS A 9 -2.058 -9.686 -3.426 1.00 0.17 C ATOM 113 C LYS A 9 -2.926 -8.558 -2.911 1.00 0.14 C ATOM 114 O LYS A 9 -2.416 -7.585 -2.368 1.00 0.17 O ATOM 115 CB LYS A 9 -1.831 -10.730 -2.337 1.00 0.22 C ATOM 116 CG LYS A 9 -3.066 -11.563 -2.062 1.00 0.33 C ATOM 117 CD LYS A 9 -2.742 -12.817 -1.267 1.00 1.11 C ATOM 118 CE LYS A 9 -2.200 -12.497 0.114 1.00 1.47 C ATOM 119 NZ LYS A 9 -1.842 -13.730 0.863 1.00 2.36 N ATOM 0 H LYS A 9 -0.446 -8.369 -3.316 1.00 0.15 H new ATOM 0 HA LYS A 9 -2.557 -10.187 -4.255 1.00 0.17 H new ATOM 0 HB2 LYS A 9 -1.013 -11.387 -2.633 1.00 0.22 H new ATOM 0 HB3 LYS A 9 -1.522 -10.231 -1.419 1.00 0.22 H new ATOM 0 HG2 LYS A 9 -3.793 -10.964 -1.513 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -3.532 -11.843 -3.007 1.00 0.33 H new ATOM 0 HD2 LYS A 9 -3.641 -13.426 -1.170 1.00 1.11 H new ATOM 0 HD3 LYS A 9 -2.011 -13.413 -1.813 1.00 1.11 H new ATOM 0 HE2 LYS A 9 -1.321 -11.859 0.021 1.00 1.47 H new ATOM 0 HE3 LYS A 9 -2.945 -11.933 0.676 1.00 1.47 H new ATOM 0 HZ1 LYS A 9 -1.476 -13.472 1.801 1.00 2.36 H new ATOM 0 HZ2 LYS A 9 -2.687 -14.327 0.973 1.00 2.36 H new ATOM 0 HZ3 LYS A 9 -1.113 -14.255 0.339 1.00 2.36 H new ATOM 133 N LEU A 10 -4.222 -8.674 -3.101 1.00 0.13 N ATOM 134 CA LEU A 10 -5.136 -7.618 -2.725 1.00 0.13 C ATOM 135 C LEU A 10 -6.537 -8.168 -2.551 1.00 0.13 C ATOM 136 O LEU A 10 -6.946 -9.081 -3.270 1.00 0.17 O ATOM 137 CB LEU A 10 -5.104 -6.524 -3.791 1.00 0.13 C ATOM 138 CG LEU A 10 -6.123 -5.402 -3.623 1.00 0.16 C ATOM 139 CD1 LEU A 10 -5.518 -4.092 -4.082 1.00 0.20 C ATOM 140 CD2 LEU A 10 -7.386 -5.701 -4.417 1.00 0.18 C ATOM 0 H LEU A 10 -4.668 -9.492 -3.515 1.00 0.13 H new ATOM 0 HA LEU A 10 -4.828 -7.191 -1.771 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -4.107 -6.084 -3.803 1.00 0.13 H new ATOM 0 HB3 LEU A 10 -5.260 -6.988 -4.765 1.00 0.13 H new ATOM 0 HG LEU A 10 -6.391 -5.326 -2.569 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -6.248 -3.292 -3.961 1.00 0.20 H new ATOM 0 HD12 LEU A 10 -4.634 -3.870 -3.484 1.00 0.20 H new ATOM 0 HD13 LEU A 10 -5.236 -4.170 -5.132 1.00 0.20 H new ATOM 0 HD21 LEU A 10 -8.100 -4.889 -4.284 1.00 0.18 H new ATOM 0 HD22 LEU A 10 -7.137 -5.796 -5.474 1.00 0.18 H new ATOM 0 HD23 LEU A 10 -7.826 -6.633 -4.063 1.00 0.18 H new ATOM 152 N ASP A 11 -7.262 -7.614 -1.598 1.00 0.14 N ATOM 153 CA ASP A 11 -8.616 -8.064 -1.321 1.00 0.16 C ATOM 154 C ASP A 11 -9.437 -6.947 -0.690 1.00 0.16 C ATOM 155 O ASP A 11 -8.890 -6.057 -0.033 1.00 0.19 O ATOM 156 CB ASP A 11 -8.586 -9.257 -0.369 1.00 0.25 C ATOM 157 CG ASP A 11 -9.740 -10.211 -0.598 1.00 1.08 C ATOM 158 OD1 ASP A 11 -9.558 -11.221 -1.307 1.00 1.94 O ATOM 159 OD2 ASP A 11 -10.843 -9.957 -0.064 1.00 1.41 O ATOM 0 H ASP A 11 -6.938 -6.852 -1.002 1.00 0.14 H new ATOM 0 HA ASP A 11 -9.075 -8.355 -2.265 1.00 0.16 H new ATOM 0 HB2 ASP A 11 -7.645 -9.793 -0.493 1.00 0.25 H new ATOM 0 HB3 ASP A 11 -8.615 -8.898 0.660 1.00 0.25 H new ATOM 164 N GLY A 12 -10.745 -6.997 -0.901 1.00 0.23 N ATOM 165 CA GLY A 12 -11.648 -6.068 -0.253 1.00 0.23 C ATOM 166 C GLY A 12 -11.633 -4.688 -0.875 1.00 0.20 C ATOM 167 O GLY A 12 -11.275 -4.522 -2.043 1.00 0.27 O ATOM 0 H GLY A 12 -11.200 -7.672 -1.516 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -12.661 -6.467 -0.295 1.00 0.23 H new ATOM 0 HA3 GLY A 12 -11.381 -5.987 0.801 1.00 0.23 H new ATOM 171 N SER A 13 -12.017 -3.697 -0.086 1.00 0.18 N ATOM 172 CA SER A 13 -12.092 -2.327 -0.555 1.00 0.18 C ATOM 173 C SER A 13 -10.845 -1.578 -0.118 1.00 0.15 C ATOM 174 O SER A 13 -10.554 -1.495 1.078 1.00 0.19 O ATOM 175 CB SER A 13 -13.347 -1.647 0.004 1.00 0.23 C ATOM 176 OG SER A 13 -13.522 -0.351 -0.541 1.00 1.16 O ATOM 0 H SER A 13 -12.283 -3.821 0.891 1.00 0.18 H new ATOM 0 HA SER A 13 -12.152 -2.318 -1.643 1.00 0.18 H new ATOM 0 HB2 SER A 13 -14.222 -2.257 -0.218 1.00 0.23 H new ATOM 0 HB3 SER A 13 -13.273 -1.579 1.089 1.00 0.23 H new ATOM 0 HG SER A 13 -14.331 0.055 -0.166 1.00 1.16 H new ATOM 182 N VAL A 14 -10.096 -1.058 -1.080 1.00 0.13 N ATOM 183 CA VAL A 14 -8.828 -0.414 -0.780 1.00 0.12 C ATOM 184 C VAL A 14 -8.643 0.875 -1.584 1.00 0.11 C ATOM 185 O VAL A 14 -9.177 1.034 -2.683 1.00 0.13 O ATOM 186 CB VAL A 14 -7.624 -1.342 -1.047 1.00 0.16 C ATOM 187 CG1 VAL A 14 -7.831 -2.713 -0.421 1.00 0.19 C ATOM 188 CG2 VAL A 14 -7.367 -1.458 -2.533 1.00 0.20 C ATOM 0 H VAL A 14 -10.344 -1.070 -2.069 1.00 0.13 H new ATOM 0 HA VAL A 14 -8.862 -0.176 0.283 1.00 0.12 H new ATOM 0 HB VAL A 14 -6.745 -0.899 -0.578 1.00 0.16 H new ATOM 0 HG11 VAL A 14 -6.965 -3.342 -0.628 1.00 0.19 H new ATOM 0 HG12 VAL A 14 -7.953 -2.606 0.657 1.00 0.19 H new ATOM 0 HG13 VAL A 14 -8.724 -3.175 -0.843 1.00 0.19 H new ATOM 0 HG21 VAL A 14 -6.515 -2.116 -2.705 1.00 0.20 H new ATOM 0 HG22 VAL A 14 -8.249 -1.871 -3.024 1.00 0.20 H new ATOM 0 HG23 VAL A 14 -7.152 -0.471 -2.943 1.00 0.20 H new ATOM 198 N THR A 15 -7.875 1.776 -1.006 1.00 0.10 N ATOM 199 CA THR A 15 -7.590 3.085 -1.574 1.00 0.10 C ATOM 200 C THR A 15 -6.221 3.540 -1.097 1.00 0.10 C ATOM 201 O THR A 15 -5.721 3.022 -0.106 1.00 0.10 O ATOM 202 CB THR A 15 -8.651 4.120 -1.139 1.00 0.13 C ATOM 203 OG1 THR A 15 -9.476 3.565 -0.102 1.00 0.17 O ATOM 204 CG2 THR A 15 -9.522 4.543 -2.310 1.00 0.17 C ATOM 0 H THR A 15 -7.419 1.618 -0.107 1.00 0.10 H new ATOM 0 HA THR A 15 -7.610 3.008 -2.661 1.00 0.10 H new ATOM 0 HB THR A 15 -8.129 5.001 -0.765 1.00 0.13 H new ATOM 0 HG1 THR A 15 -8.929 3.004 0.486 1.00 0.17 H new ATOM 0 HG21 THR A 15 -10.258 5.272 -1.971 1.00 0.17 H new ATOM 0 HG22 THR A 15 -8.899 4.990 -3.084 1.00 0.17 H new ATOM 0 HG23 THR A 15 -10.035 3.671 -2.716 1.00 0.17 H new ATOM 212 N VAL A 16 -5.593 4.466 -1.800 1.00 0.10 N ATOM 213 CA VAL A 16 -4.364 5.053 -1.294 1.00 0.11 C ATOM 214 C VAL A 16 -4.360 6.564 -1.490 1.00 0.11 C ATOM 215 O VAL A 16 -4.720 7.067 -2.552 1.00 0.12 O ATOM 216 CB VAL A 16 -3.094 4.418 -1.920 1.00 0.12 C ATOM 217 CG1 VAL A 16 -2.660 5.117 -3.194 1.00 0.12 C ATOM 218 CG2 VAL A 16 -1.954 4.404 -0.920 1.00 0.16 C ATOM 0 H VAL A 16 -5.905 4.822 -2.704 1.00 0.10 H new ATOM 0 HA VAL A 16 -4.334 4.837 -0.226 1.00 0.11 H new ATOM 0 HB VAL A 16 -3.355 3.394 -2.185 1.00 0.12 H new ATOM 0 HG11 VAL A 16 -1.767 4.632 -3.589 1.00 0.12 H new ATOM 0 HG12 VAL A 16 -3.461 5.060 -3.931 1.00 0.12 H new ATOM 0 HG13 VAL A 16 -2.440 6.162 -2.978 1.00 0.12 H new ATOM 0 HG21 VAL A 16 -1.073 3.955 -1.379 1.00 0.16 H new ATOM 0 HG22 VAL A 16 -1.724 5.425 -0.616 1.00 0.16 H new ATOM 0 HG23 VAL A 16 -2.244 3.822 -0.045 1.00 0.16 H new ATOM 228 N GLN A 17 -4.006 7.264 -0.431 1.00 0.12 N ATOM 229 CA GLN A 17 -3.837 8.703 -0.451 1.00 0.12 C ATOM 230 C GLN A 17 -2.375 9.031 -0.644 1.00 0.13 C ATOM 231 O GLN A 17 -1.599 9.002 0.307 1.00 0.13 O ATOM 232 CB GLN A 17 -4.320 9.310 0.868 1.00 0.14 C ATOM 233 CG GLN A 17 -5.592 10.116 0.738 1.00 0.21 C ATOM 234 CD GLN A 17 -6.054 10.688 2.063 1.00 0.29 C ATOM 235 OE1 GLN A 17 -5.246 10.957 2.953 1.00 0.50 O ATOM 236 NE2 GLN A 17 -7.350 10.894 2.202 1.00 0.51 N ATOM 0 H GLN A 17 -3.825 6.843 0.480 1.00 0.12 H new ATOM 0 HA GLN A 17 -4.424 9.118 -1.270 1.00 0.12 H new ATOM 0 HB2 GLN A 17 -4.481 8.508 1.589 1.00 0.14 H new ATOM 0 HB3 GLN A 17 -3.535 9.949 1.272 1.00 0.14 H new ATOM 0 HG2 GLN A 17 -5.432 10.930 0.031 1.00 0.21 H new ATOM 0 HG3 GLN A 17 -6.378 9.484 0.325 1.00 0.21 H new ATOM 0 HE21 GLN A 17 -7.988 10.658 1.442 1.00 0.51 H new ATOM 0 HE22 GLN A 17 -7.713 11.289 3.069 1.00 0.51 H new ATOM 245 N SER A 18 -1.995 9.341 -1.865 1.00 0.16 N ATOM 246 CA SER A 18 -0.598 9.608 -2.169 1.00 0.21 C ATOM 247 C SER A 18 -0.123 10.883 -1.468 1.00 0.24 C ATOM 248 O SER A 18 -0.907 11.529 -0.770 1.00 0.25 O ATOM 249 CB SER A 18 -0.399 9.701 -3.679 1.00 0.28 C ATOM 250 OG SER A 18 -0.779 8.489 -4.317 1.00 1.25 O ATOM 0 H SER A 18 -2.627 9.415 -2.662 1.00 0.16 H new ATOM 0 HA SER A 18 0.006 8.782 -1.794 1.00 0.21 H new ATOM 0 HB2 SER A 18 -0.989 10.527 -4.077 1.00 0.28 H new ATOM 0 HB3 SER A 18 0.646 9.920 -3.899 1.00 0.28 H new ATOM 0 HG SER A 18 -0.023 7.865 -4.310 1.00 1.25 H new ATOM 256 N ILE A 19 1.136 11.260 -1.639 1.00 0.29 N ATOM 257 CA ILE A 19 1.675 12.418 -0.923 1.00 0.33 C ATOM 258 C ILE A 19 0.920 13.706 -1.255 1.00 0.40 C ATOM 259 O ILE A 19 0.853 14.621 -0.438 1.00 0.59 O ATOM 260 CB ILE A 19 3.181 12.621 -1.182 1.00 0.37 C ATOM 261 CG1 ILE A 19 3.506 12.505 -2.674 1.00 0.44 C ATOM 262 CG2 ILE A 19 3.993 11.628 -0.367 1.00 0.37 C ATOM 263 CD1 ILE A 19 4.984 12.619 -2.976 1.00 0.53 C ATOM 0 H ILE A 19 1.799 10.792 -2.257 1.00 0.29 H new ATOM 0 HA ILE A 19 1.536 12.196 0.135 1.00 0.33 H new ATOM 0 HB ILE A 19 3.451 13.629 -0.866 1.00 0.37 H new ATOM 0 HG12 ILE A 19 3.139 11.548 -3.045 1.00 0.44 H new ATOM 0 HG13 ILE A 19 2.970 13.284 -3.217 1.00 0.44 H new ATOM 0 HG21 ILE A 19 5.055 11.782 -0.559 1.00 0.37 H new ATOM 0 HG22 ILE A 19 3.791 11.776 0.694 1.00 0.37 H new ATOM 0 HG23 ILE A 19 3.717 10.612 -0.650 1.00 0.37 H new ATOM 0 HD11 ILE A 19 5.144 12.528 -4.050 1.00 0.53 H new ATOM 0 HD12 ILE A 19 5.351 13.587 -2.635 1.00 0.53 H new ATOM 0 HD13 ILE A 19 5.523 11.824 -2.461 1.00 0.53 H new ATOM 275 N ASN A 20 0.328 13.762 -2.440 1.00 0.40 N ATOM 276 CA ASN A 20 -0.454 14.932 -2.836 1.00 0.46 C ATOM 277 C ASN A 20 -1.844 14.887 -2.208 1.00 0.40 C ATOM 278 O ASN A 20 -2.607 15.846 -2.291 1.00 0.49 O ATOM 279 CB ASN A 20 -0.573 15.014 -4.360 1.00 0.56 C ATOM 280 CG ASN A 20 0.776 15.089 -5.047 1.00 0.95 C ATOM 281 OD1 ASN A 20 1.344 16.168 -5.211 1.00 1.96 O ATOM 282 ND2 ASN A 20 1.288 13.946 -5.475 1.00 0.83 N ATOM 0 H ASN A 20 0.371 13.021 -3.140 1.00 0.40 H new ATOM 0 HA ASN A 20 0.065 15.821 -2.478 1.00 0.46 H new ATOM 0 HB2 ASN A 20 -1.115 14.142 -4.726 1.00 0.56 H new ATOM 0 HB3 ASN A 20 -1.162 15.891 -4.628 1.00 0.56 H new ATOM 0 HD21 ASN A 20 2.185 13.939 -5.961 1.00 0.83 H new ATOM 0 HD22 ASN A 20 0.786 13.072 -5.319 1.00 0.83 H new ATOM 289 N GLY A 21 -2.166 13.757 -1.590 1.00 0.31 N ATOM 290 CA GLY A 21 -3.448 13.594 -0.930 1.00 0.29 C ATOM 291 C GLY A 21 -4.456 12.952 -1.847 1.00 0.27 C ATOM 292 O GLY A 21 -5.632 12.818 -1.506 1.00 0.32 O ATOM 0 H GLY A 21 -1.555 12.942 -1.534 1.00 0.31 H new ATOM 0 HA2 GLY A 21 -3.325 12.982 -0.036 1.00 0.29 H new ATOM 0 HA3 GLY A 21 -3.818 14.566 -0.603 1.00 0.29 H new ATOM 296 N GLN A 22 -3.982 12.548 -3.014 1.00 0.26 N ATOM 297 CA GLN A 22 -4.824 11.924 -4.012 1.00 0.25 C ATOM 298 C GLN A 22 -5.165 10.494 -3.615 1.00 0.19 C ATOM 299 O GLN A 22 -4.273 9.658 -3.475 1.00 0.18 O ATOM 300 CB GLN A 22 -4.115 11.934 -5.362 1.00 0.32 C ATOM 301 CG GLN A 22 -3.895 13.329 -5.921 1.00 0.48 C ATOM 302 CD GLN A 22 -5.187 14.094 -6.117 1.00 1.39 C ATOM 303 OE1 GLN A 22 -5.648 14.797 -5.219 1.00 2.21 O ATOM 304 NE2 GLN A 22 -5.778 13.970 -7.293 1.00 2.08 N ATOM 0 H GLN A 22 -3.005 12.644 -3.292 1.00 0.26 H new ATOM 0 HA GLN A 22 -5.753 12.490 -4.085 1.00 0.25 H new ATOM 0 HB2 GLN A 22 -3.151 11.436 -5.261 1.00 0.32 H new ATOM 0 HB3 GLN A 22 -4.700 11.354 -6.075 1.00 0.32 H new ATOM 0 HG2 GLN A 22 -3.246 13.888 -5.246 1.00 0.48 H new ATOM 0 HG3 GLN A 22 -3.374 13.255 -6.875 1.00 0.48 H new ATOM 0 HE21 GLN A 22 -5.364 13.377 -8.012 1.00 2.08 H new ATOM 0 HE22 GLN A 22 -6.648 14.467 -7.481 1.00 2.08 H new ATOM 313 N GLU A 23 -6.449 10.227 -3.423 1.00 0.21 N ATOM 314 CA GLU A 23 -6.912 8.890 -3.084 1.00 0.16 C ATOM 315 C GLU A 23 -7.343 8.148 -4.341 1.00 0.19 C ATOM 316 O GLU A 23 -8.348 8.488 -4.970 1.00 0.28 O ATOM 317 CB GLU A 23 -8.061 8.957 -2.071 1.00 0.19 C ATOM 318 CG GLU A 23 -8.775 7.651 -1.840 1.00 0.58 C ATOM 319 CD GLU A 23 -9.908 7.785 -0.845 1.00 0.78 C ATOM 320 OE1 GLU A 23 -11.076 7.869 -1.274 1.00 1.00 O ATOM 321 OE2 GLU A 23 -9.637 7.828 0.368 1.00 0.97 O ATOM 0 H GLU A 23 -7.191 10.923 -3.497 1.00 0.21 H new ATOM 0 HA GLU A 23 -6.089 8.342 -2.625 1.00 0.16 H new ATOM 0 HB2 GLU A 23 -7.667 9.313 -1.119 1.00 0.19 H new ATOM 0 HB3 GLU A 23 -8.786 9.696 -2.413 1.00 0.19 H new ATOM 0 HG2 GLU A 23 -9.168 7.282 -2.787 1.00 0.58 H new ATOM 0 HG3 GLU A 23 -8.063 6.909 -1.479 1.00 0.58 H new ATOM 328 N ARG A 24 -6.567 7.142 -4.715 1.00 0.21 N ATOM 329 CA ARG A 24 -6.874 6.346 -5.891 1.00 0.30 C ATOM 330 C ARG A 24 -7.269 4.944 -5.476 1.00 0.27 C ATOM 331 O ARG A 24 -7.067 4.547 -4.326 1.00 0.33 O ATOM 332 CB ARG A 24 -5.668 6.269 -6.825 1.00 0.43 C ATOM 333 CG ARG A 24 -4.583 5.324 -6.343 1.00 0.45 C ATOM 334 CD ARG A 24 -3.319 5.456 -7.173 1.00 0.51 C ATOM 335 NE ARG A 24 -2.355 4.414 -6.847 1.00 0.66 N ATOM 336 CZ ARG A 24 -1.180 4.629 -6.258 1.00 0.75 C ATOM 337 NH1 ARG A 24 -0.775 5.864 -5.998 1.00 1.55 N ATOM 338 NH2 ARG A 24 -0.402 3.606 -5.950 1.00 1.22 N ATOM 0 H ARG A 24 -5.721 6.859 -4.221 1.00 0.21 H new ATOM 0 HA ARG A 24 -7.700 6.824 -6.418 1.00 0.30 H new ATOM 0 HB2 ARG A 24 -6.004 5.950 -7.812 1.00 0.43 H new ATOM 0 HB3 ARG A 24 -5.244 7.267 -6.940 1.00 0.43 H new ATOM 0 HG2 ARG A 24 -4.356 5.532 -5.297 1.00 0.45 H new ATOM 0 HG3 ARG A 24 -4.946 4.297 -6.392 1.00 0.45 H new ATOM 0 HD2 ARG A 24 -3.571 5.402 -8.232 1.00 0.51 H new ATOM 0 HD3 ARG A 24 -2.870 6.435 -7.002 1.00 0.51 H new ATOM 0 HE ARG A 24 -2.597 3.452 -7.087 1.00 0.66 H new ATOM 0 HH11 ARG A 24 -1.365 6.658 -6.249 1.00 1.55 H new ATOM 0 HH12 ARG A 24 0.126 6.021 -5.547 1.00 1.55 H new ATOM 0 HH21 ARG A 24 -0.702 2.655 -6.163 1.00 1.22 H new ATOM 0 HH22 ARG A 24 0.498 3.768 -5.499 1.00 1.22 H new ATOM 352 N VAL A 25 -7.807 4.197 -6.418 1.00 0.26 N ATOM 353 CA VAL A 25 -8.159 2.813 -6.165 1.00 0.25 C ATOM 354 C VAL A 25 -6.952 1.935 -6.418 1.00 0.23 C ATOM 355 O VAL A 25 -6.294 2.039 -7.458 1.00 0.32 O ATOM 356 CB VAL A 25 -9.344 2.326 -7.033 1.00 0.31 C ATOM 357 CG1 VAL A 25 -8.988 2.321 -8.514 1.00 0.35 C ATOM 358 CG2 VAL A 25 -9.802 0.943 -6.586 1.00 0.32 C ATOM 0 H VAL A 25 -8.010 4.522 -7.363 1.00 0.26 H new ATOM 0 HA VAL A 25 -8.475 2.744 -5.124 1.00 0.25 H new ATOM 0 HB VAL A 25 -10.167 3.028 -6.894 1.00 0.31 H new ATOM 0 HG11 VAL A 25 -9.844 1.973 -9.093 1.00 0.35 H new ATOM 0 HG12 VAL A 25 -8.723 3.331 -8.828 1.00 0.35 H new ATOM 0 HG13 VAL A 25 -8.142 1.655 -8.682 1.00 0.35 H new ATOM 0 HG21 VAL A 25 -10.636 0.617 -7.208 1.00 0.32 H new ATOM 0 HG22 VAL A 25 -8.978 0.237 -6.686 1.00 0.32 H new ATOM 0 HG23 VAL A 25 -10.121 0.984 -5.544 1.00 0.32 H new ATOM 368 N LEU A 26 -6.643 1.091 -5.464 1.00 0.16 N ATOM 369 CA LEU A 26 -5.491 0.229 -5.605 1.00 0.15 C ATOM 370 C LEU A 26 -5.872 -1.080 -6.238 1.00 0.15 C ATOM 371 O LEU A 26 -6.956 -1.616 -6.006 1.00 0.28 O ATOM 372 CB LEU A 26 -4.774 0.002 -4.283 1.00 0.15 C ATOM 373 CG LEU A 26 -3.962 1.191 -3.789 1.00 0.17 C ATOM 374 CD1 LEU A 26 -2.773 0.704 -2.996 1.00 0.23 C ATOM 375 CD2 LEU A 26 -3.506 2.042 -4.960 1.00 0.32 C ATOM 0 H LEU A 26 -7.163 0.981 -4.593 1.00 0.16 H new ATOM 0 HA LEU A 26 -4.791 0.742 -6.265 1.00 0.15 H new ATOM 0 HB2 LEU A 26 -5.512 -0.257 -3.524 1.00 0.15 H new ATOM 0 HB3 LEU A 26 -4.110 -0.856 -4.388 1.00 0.15 H new ATOM 0 HG LEU A 26 -4.589 1.805 -3.143 1.00 0.17 H new ATOM 0 HD11 LEU A 26 -2.195 1.559 -2.645 1.00 0.23 H new ATOM 0 HD12 LEU A 26 -3.119 0.124 -2.141 1.00 0.23 H new ATOM 0 HD13 LEU A 26 -2.145 0.077 -3.629 1.00 0.23 H new ATOM 0 HD21 LEU A 26 -2.927 2.888 -4.591 1.00 0.32 H new ATOM 0 HD22 LEU A 26 -2.887 1.442 -5.627 1.00 0.32 H new ATOM 0 HD23 LEU A 26 -4.376 2.408 -5.504 1.00 0.32 H new ATOM 387 N LYS A 27 -4.973 -1.575 -7.055 1.00 0.30 N ATOM 388 CA LYS A 27 -5.232 -2.743 -7.865 1.00 0.27 C ATOM 389 C LYS A 27 -4.086 -3.715 -7.717 1.00 0.21 C ATOM 390 O LYS A 27 -3.070 -3.380 -7.117 1.00 0.26 O ATOM 391 CB LYS A 27 -5.361 -2.317 -9.321 1.00 0.42 C ATOM 392 CG LYS A 27 -6.126 -1.023 -9.499 1.00 0.61 C ATOM 393 CD LYS A 27 -6.248 -0.668 -10.962 1.00 0.83 C ATOM 394 CE LYS A 27 -6.954 0.657 -11.142 1.00 1.09 C ATOM 395 NZ LYS A 27 -6.179 1.788 -10.559 1.00 1.65 N ATOM 0 H LYS A 27 -4.041 -1.180 -7.178 1.00 0.30 H new ATOM 0 HA LYS A 27 -6.156 -3.224 -7.543 1.00 0.27 H new ATOM 0 HB2 LYS A 27 -4.365 -2.204 -9.749 1.00 0.42 H new ATOM 0 HB3 LYS A 27 -5.861 -3.107 -9.881 1.00 0.42 H new ATOM 0 HG2 LYS A 27 -7.119 -1.119 -9.060 1.00 0.61 H new ATOM 0 HG3 LYS A 27 -5.618 -0.219 -8.966 1.00 0.61 H new ATOM 0 HD2 LYS A 27 -5.256 -0.620 -11.412 1.00 0.83 H new ATOM 0 HD3 LYS A 27 -6.797 -1.451 -11.485 1.00 0.83 H new ATOM 0 HE2 LYS A 27 -7.117 0.839 -12.204 1.00 1.09 H new ATOM 0 HE3 LYS A 27 -7.936 0.611 -10.672 1.00 1.09 H new ATOM 0 HZ1 LYS A 27 -6.588 2.690 -10.877 1.00 1.65 H new ATOM 0 HZ2 LYS A 27 -6.218 1.737 -9.521 1.00 1.65 H new ATOM 0 HZ3 LYS A 27 -5.189 1.728 -10.872 1.00 1.65 H new ATOM 409 N LEU A 28 -4.223 -4.915 -8.250 1.00 0.19 N ATOM 410 CA LEU A 28 -3.100 -5.825 -8.235 1.00 0.16 C ATOM 411 C LEU A 28 -2.069 -5.338 -9.220 1.00 0.18 C ATOM 412 O LEU A 28 -2.405 -4.972 -10.344 1.00 0.21 O ATOM 413 CB LEU A 28 -3.462 -7.249 -8.607 1.00 0.15 C ATOM 414 CG LEU A 28 -2.597 -8.285 -7.897 1.00 0.16 C ATOM 415 CD1 LEU A 28 -3.327 -8.839 -6.690 1.00 0.23 C ATOM 416 CD2 LEU A 28 -2.167 -9.397 -8.836 1.00 0.15 C ATOM 0 H LEU A 28 -5.074 -5.272 -8.685 1.00 0.19 H new ATOM 0 HA LEU A 28 -2.727 -5.840 -7.211 1.00 0.16 H new ATOM 0 HB2 LEU A 28 -4.509 -7.428 -8.363 1.00 0.15 H new ATOM 0 HB3 LEU A 28 -3.360 -7.375 -9.685 1.00 0.15 H new ATOM 0 HG LEU A 28 -1.689 -7.788 -7.556 1.00 0.16 H new ATOM 0 HD11 LEU A 28 -2.699 -9.577 -6.192 1.00 0.23 H new ATOM 0 HD12 LEU A 28 -3.552 -8.028 -5.997 1.00 0.23 H new ATOM 0 HD13 LEU A 28 -4.256 -9.310 -7.011 1.00 0.23 H new ATOM 0 HD21 LEU A 28 -1.553 -10.115 -8.293 1.00 0.15 H new ATOM 0 HD22 LEU A 28 -3.049 -9.901 -9.232 1.00 0.15 H new ATOM 0 HD23 LEU A 28 -1.590 -8.975 -9.659 1.00 0.15 H new ATOM 428 N GLY A 29 -0.824 -5.335 -8.811 1.00 0.19 N ATOM 429 CA GLY A 29 0.209 -4.879 -9.692 1.00 0.21 C ATOM 430 C GLY A 29 0.348 -3.374 -9.657 1.00 0.19 C ATOM 431 O GLY A 29 1.181 -2.805 -10.360 1.00 0.24 O ATOM 0 H GLY A 29 -0.510 -5.639 -7.889 1.00 0.19 H new ATOM 0 HA2 GLY A 29 1.156 -5.339 -9.411 1.00 0.21 H new ATOM 0 HA3 GLY A 29 -0.012 -5.201 -10.710 1.00 0.21 H new ATOM 435 N ASP A 30 -0.472 -2.727 -8.834 1.00 0.19 N ATOM 436 CA ASP A 30 -0.389 -1.288 -8.668 1.00 0.16 C ATOM 437 C ASP A 30 0.846 -0.923 -7.859 1.00 0.13 C ATOM 438 O ASP A 30 1.236 -1.622 -6.922 1.00 0.16 O ATOM 439 CB ASP A 30 -1.679 -0.713 -8.054 1.00 0.21 C ATOM 440 CG ASP A 30 -1.470 0.286 -6.956 1.00 1.17 C ATOM 441 OD1 ASP A 30 -1.613 -0.105 -5.794 1.00 1.92 O ATOM 442 OD2 ASP A 30 -1.244 1.477 -7.262 1.00 1.48 O ATOM 0 H ASP A 30 -1.197 -3.178 -8.276 1.00 0.19 H new ATOM 0 HA ASP A 30 -0.289 -0.831 -9.653 1.00 0.16 H new ATOM 0 HB2 ASP A 30 -2.262 -0.243 -8.846 1.00 0.21 H new ATOM 0 HB3 ASP A 30 -2.277 -1.537 -7.665 1.00 0.21 H new ATOM 447 N PRO A 31 1.502 0.148 -8.276 1.00 0.12 N ATOM 448 CA PRO A 31 2.770 0.595 -7.714 1.00 0.12 C ATOM 449 C PRO A 31 2.613 1.523 -6.510 1.00 0.13 C ATOM 450 O PRO A 31 1.990 2.578 -6.594 1.00 0.22 O ATOM 451 CB PRO A 31 3.363 1.348 -8.892 1.00 0.19 C ATOM 452 CG PRO A 31 2.177 2.002 -9.522 1.00 0.19 C ATOM 453 CD PRO A 31 1.050 1.020 -9.370 1.00 0.18 C ATOM 0 HA PRO A 31 3.372 -0.228 -7.328 1.00 0.12 H new ATOM 0 HB2 PRO A 31 4.101 2.082 -8.568 1.00 0.19 H new ATOM 0 HB3 PRO A 31 3.866 0.675 -9.586 1.00 0.19 H new ATOM 0 HG2 PRO A 31 1.943 2.947 -9.032 1.00 0.19 H new ATOM 0 HG3 PRO A 31 2.364 2.226 -10.572 1.00 0.19 H new ATOM 0 HD2 PRO A 31 0.113 1.519 -9.125 1.00 0.18 H new ATOM 0 HD3 PRO A 31 0.881 0.458 -10.288 1.00 0.18 H new ATOM 461 N ILE A 32 3.213 1.136 -5.400 1.00 0.10 N ATOM 462 CA ILE A 32 3.184 1.938 -4.194 1.00 0.11 C ATOM 463 C ILE A 32 4.377 2.871 -4.160 1.00 0.11 C ATOM 464 O ILE A 32 5.502 2.462 -4.433 1.00 0.12 O ATOM 465 CB ILE A 32 3.199 1.054 -2.934 1.00 0.11 C ATOM 466 CG1 ILE A 32 1.916 0.234 -2.850 1.00 0.11 C ATOM 467 CG2 ILE A 32 3.382 1.891 -1.680 1.00 0.13 C ATOM 468 CD1 ILE A 32 0.668 1.070 -2.673 1.00 0.13 C ATOM 0 H ILE A 32 3.731 0.262 -5.310 1.00 0.10 H new ATOM 0 HA ILE A 32 2.260 2.517 -4.204 1.00 0.11 H new ATOM 0 HB ILE A 32 4.046 0.372 -3.006 1.00 0.11 H new ATOM 0 HG12 ILE A 32 1.817 -0.362 -3.757 1.00 0.11 H new ATOM 0 HG13 ILE A 32 1.996 -0.464 -2.017 1.00 0.11 H new ATOM 0 HG21 ILE A 32 3.389 1.240 -0.806 1.00 0.13 H new ATOM 0 HG22 ILE A 32 4.327 2.431 -1.738 1.00 0.13 H new ATOM 0 HG23 ILE A 32 2.562 2.604 -1.595 1.00 0.13 H new ATOM 0 HD11 ILE A 32 -0.203 0.417 -2.622 1.00 0.13 H new ATOM 0 HD12 ILE A 32 0.744 1.647 -1.751 1.00 0.13 H new ATOM 0 HD13 ILE A 32 0.562 1.750 -3.519 1.00 0.13 H new ATOM 480 N PHE A 33 4.120 4.115 -3.827 1.00 0.12 N ATOM 481 CA PHE A 33 5.164 5.119 -3.733 1.00 0.13 C ATOM 482 C PHE A 33 5.358 5.524 -2.275 1.00 0.12 C ATOM 483 O PHE A 33 4.446 5.387 -1.456 1.00 0.14 O ATOM 484 CB PHE A 33 4.806 6.339 -4.589 1.00 0.15 C ATOM 485 CG PHE A 33 4.631 6.026 -6.051 1.00 0.17 C ATOM 486 CD1 PHE A 33 5.652 6.277 -6.950 1.00 0.19 C ATOM 487 CD2 PHE A 33 3.448 5.482 -6.525 1.00 0.25 C ATOM 488 CE1 PHE A 33 5.500 5.992 -8.293 1.00 0.22 C ATOM 489 CE2 PHE A 33 3.290 5.195 -7.867 1.00 0.29 C ATOM 490 CZ PHE A 33 4.318 5.450 -8.751 1.00 0.25 C ATOM 0 H PHE A 33 3.185 4.463 -3.613 1.00 0.12 H new ATOM 0 HA PHE A 33 6.098 4.701 -4.109 1.00 0.13 H new ATOM 0 HB2 PHE A 33 3.885 6.780 -4.209 1.00 0.15 H new ATOM 0 HB3 PHE A 33 5.588 7.090 -4.479 1.00 0.15 H new ATOM 0 HD1 PHE A 33 6.580 6.701 -6.597 1.00 0.19 H new ATOM 0 HD2 PHE A 33 2.640 5.280 -5.837 1.00 0.25 H new ATOM 0 HE1 PHE A 33 6.306 6.193 -8.983 1.00 0.22 H new ATOM 0 HE2 PHE A 33 2.363 4.771 -8.224 1.00 0.29 H new ATOM 0 HZ PHE A 33 4.197 5.225 -9.800 1.00 0.25 H new ATOM 500 N PHE A 34 6.547 6.010 -1.945 1.00 0.11 N ATOM 501 CA PHE A 34 6.873 6.347 -0.562 1.00 0.11 C ATOM 502 C PHE A 34 6.081 7.567 -0.108 1.00 0.11 C ATOM 503 O PHE A 34 6.241 8.661 -0.651 1.00 0.18 O ATOM 504 CB PHE A 34 8.373 6.620 -0.411 1.00 0.11 C ATOM 505 CG PHE A 34 8.947 6.185 0.914 1.00 0.12 C ATOM 506 CD1 PHE A 34 8.803 6.981 2.041 1.00 0.15 C ATOM 507 CD2 PHE A 34 9.623 4.982 1.036 1.00 0.14 C ATOM 508 CE1 PHE A 34 9.316 6.590 3.257 1.00 0.17 C ATOM 509 CE2 PHE A 34 10.143 4.584 2.253 1.00 0.16 C ATOM 510 CZ PHE A 34 10.018 5.374 3.346 1.00 0.16 C ATOM 0 H PHE A 34 7.300 6.180 -2.611 1.00 0.11 H new ATOM 0 HA PHE A 34 6.605 5.496 0.064 1.00 0.11 H new ATOM 0 HB2 PHE A 34 8.907 6.108 -1.212 1.00 0.11 H new ATOM 0 HB3 PHE A 34 8.552 7.687 -0.540 1.00 0.11 H new ATOM 0 HD1 PHE A 34 8.280 7.923 1.963 1.00 0.15 H new ATOM 0 HD2 PHE A 34 9.745 4.348 0.170 1.00 0.14 H new ATOM 0 HE1 PHE A 34 9.181 7.209 4.132 1.00 0.17 H new ATOM 0 HE2 PHE A 34 10.653 3.635 2.333 1.00 0.16 H new ATOM 0 HZ PHE A 34 10.457 5.071 4.285 1.00 0.16 H new ATOM 520 N GLY A 35 5.223 7.376 0.885 1.00 0.10 N ATOM 521 CA GLY A 35 4.454 8.482 1.410 1.00 0.12 C ATOM 522 C GLY A 35 2.969 8.377 1.120 1.00 0.10 C ATOM 523 O GLY A 35 2.221 9.316 1.389 1.00 0.17 O ATOM 0 H GLY A 35 5.047 6.477 1.334 1.00 0.10 H new ATOM 0 HA2 GLY A 35 4.603 8.538 2.488 1.00 0.12 H new ATOM 0 HA3 GLY A 35 4.834 9.412 0.987 1.00 0.12 H new ATOM 527 N GLU A 36 2.526 7.254 0.568 1.00 0.12 N ATOM 528 CA GLU A 36 1.105 7.089 0.279 1.00 0.11 C ATOM 529 C GLU A 36 0.384 6.488 1.477 1.00 0.11 C ATOM 530 O GLU A 36 0.939 5.677 2.207 1.00 0.16 O ATOM 531 CB GLU A 36 0.881 6.233 -0.968 1.00 0.14 C ATOM 532 CG GLU A 36 1.684 6.699 -2.159 1.00 0.17 C ATOM 533 CD GLU A 36 1.491 5.830 -3.377 1.00 0.28 C ATOM 534 OE1 GLU A 36 1.555 4.596 -3.237 1.00 0.28 O ATOM 535 OE2 GLU A 36 1.267 6.372 -4.472 1.00 0.52 O ATOM 0 H GLU A 36 3.114 6.460 0.316 1.00 0.12 H new ATOM 0 HA GLU A 36 0.690 8.077 0.080 1.00 0.11 H new ATOM 0 HB2 GLU A 36 1.142 5.199 -0.743 1.00 0.14 H new ATOM 0 HB3 GLU A 36 -0.178 6.245 -1.224 1.00 0.14 H new ATOM 0 HG2 GLU A 36 1.402 7.723 -2.402 1.00 0.17 H new ATOM 0 HG3 GLU A 36 2.741 6.714 -1.894 1.00 0.17 H new ATOM 542 N THR A 37 -0.846 6.910 1.676 1.00 0.11 N ATOM 543 CA THR A 37 -1.638 6.493 2.819 1.00 0.12 C ATOM 544 C THR A 37 -2.713 5.499 2.398 1.00 0.11 C ATOM 545 O THR A 37 -3.695 5.874 1.774 1.00 0.12 O ATOM 546 CB THR A 37 -2.308 7.714 3.468 1.00 0.13 C ATOM 547 OG1 THR A 37 -1.326 8.727 3.725 1.00 0.16 O ATOM 548 CG2 THR A 37 -2.986 7.329 4.765 1.00 0.14 C ATOM 0 H THR A 37 -1.329 7.554 1.049 1.00 0.11 H new ATOM 0 HA THR A 37 -0.972 6.013 3.536 1.00 0.12 H new ATOM 0 HB THR A 37 -3.062 8.098 2.780 1.00 0.13 H new ATOM 0 HG1 THR A 37 -1.758 9.504 4.137 1.00 0.16 H new ATOM 0 HG21 THR A 37 -3.453 8.209 5.206 1.00 0.14 H new ATOM 0 HG22 THR A 37 -3.747 6.574 4.568 1.00 0.14 H new ATOM 0 HG23 THR A 37 -2.246 6.926 5.457 1.00 0.14 H new ATOM 556 N VAL A 38 -2.539 4.240 2.744 1.00 0.12 N ATOM 557 CA VAL A 38 -3.465 3.217 2.292 1.00 0.12 C ATOM 558 C VAL A 38 -4.701 3.179 3.180 1.00 0.13 C ATOM 559 O VAL A 38 -4.605 3.164 4.406 1.00 0.16 O ATOM 560 CB VAL A 38 -2.822 1.819 2.248 1.00 0.15 C ATOM 561 CG1 VAL A 38 -3.670 0.883 1.398 1.00 0.15 C ATOM 562 CG2 VAL A 38 -1.401 1.894 1.713 1.00 0.16 C ATOM 0 H VAL A 38 -1.775 3.901 3.329 1.00 0.12 H new ATOM 0 HA VAL A 38 -3.751 3.485 1.275 1.00 0.12 H new ATOM 0 HB VAL A 38 -2.776 1.425 3.263 1.00 0.15 H new ATOM 0 HG11 VAL A 38 -3.208 -0.104 1.372 1.00 0.15 H new ATOM 0 HG12 VAL A 38 -4.668 0.805 1.828 1.00 0.15 H new ATOM 0 HG13 VAL A 38 -3.742 1.277 0.384 1.00 0.15 H new ATOM 0 HG21 VAL A 38 -0.967 0.894 1.691 1.00 0.16 H new ATOM 0 HG22 VAL A 38 -1.413 2.306 0.704 1.00 0.16 H new ATOM 0 HG23 VAL A 38 -0.802 2.535 2.360 1.00 0.16 H new ATOM 572 N LEU A 39 -5.853 3.183 2.535 1.00 0.15 N ATOM 573 CA LEU A 39 -7.137 3.168 3.213 1.00 0.15 C ATOM 574 C LEU A 39 -7.901 1.911 2.835 1.00 0.17 C ATOM 575 O LEU A 39 -8.355 1.775 1.698 1.00 0.27 O ATOM 576 CB LEU A 39 -7.953 4.400 2.811 1.00 0.16 C ATOM 577 CG LEU A 39 -7.258 5.744 3.022 1.00 0.16 C ATOM 578 CD1 LEU A 39 -6.861 6.347 1.682 1.00 0.20 C ATOM 579 CD2 LEU A 39 -8.156 6.693 3.796 1.00 0.27 C ATOM 0 H LEU A 39 -5.925 3.197 1.518 1.00 0.15 H new ATOM 0 HA LEU A 39 -6.970 3.182 4.290 1.00 0.15 H new ATOM 0 HB2 LEU A 39 -8.220 4.310 1.758 1.00 0.16 H new ATOM 0 HB3 LEU A 39 -8.884 4.399 3.378 1.00 0.16 H new ATOM 0 HG LEU A 39 -6.353 5.581 3.608 1.00 0.16 H new ATOM 0 HD11 LEU A 39 -6.367 7.305 1.846 1.00 0.20 H new ATOM 0 HD12 LEU A 39 -6.180 5.670 1.166 1.00 0.20 H new ATOM 0 HD13 LEU A 39 -7.752 6.498 1.073 1.00 0.20 H new ATOM 0 HD21 LEU A 39 -7.644 7.645 3.937 1.00 0.27 H new ATOM 0 HD22 LEU A 39 -9.079 6.856 3.239 1.00 0.27 H new ATOM 0 HD23 LEU A 39 -8.391 6.260 4.768 1.00 0.27 H new ATOM 591 N THR A 40 -8.023 0.986 3.766 1.00 0.14 N ATOM 592 CA THR A 40 -8.780 -0.224 3.518 1.00 0.16 C ATOM 593 C THR A 40 -10.106 -0.167 4.258 1.00 0.18 C ATOM 594 O THR A 40 -10.253 0.557 5.242 1.00 0.22 O ATOM 595 CB THR A 40 -8.006 -1.490 3.941 1.00 0.20 C ATOM 596 OG1 THR A 40 -7.730 -1.470 5.345 1.00 0.23 O ATOM 597 CG2 THR A 40 -6.698 -1.607 3.173 1.00 0.22 C ATOM 0 H THR A 40 -7.610 1.048 4.697 1.00 0.14 H new ATOM 0 HA THR A 40 -8.955 -0.284 2.444 1.00 0.16 H new ATOM 0 HB THR A 40 -8.633 -2.352 3.711 1.00 0.20 H new ATOM 0 HG1 THR A 40 -7.343 -2.329 5.615 1.00 0.23 H new ATOM 0 HG21 THR A 40 -6.170 -2.507 3.488 1.00 0.22 H new ATOM 0 HG22 THR A 40 -6.907 -1.664 2.105 1.00 0.22 H new ATOM 0 HG23 THR A 40 -6.078 -0.733 3.375 1.00 0.22 H new ATOM 605 N GLY A 41 -11.074 -0.904 3.757 1.00 0.22 N ATOM 606 CA GLY A 41 -12.366 -0.977 4.399 1.00 0.27 C ATOM 607 C GLY A 41 -12.674 -2.382 4.857 1.00 0.43 C ATOM 608 O GLY A 41 -11.754 -3.174 5.072 1.00 0.90 O ATOM 0 H GLY A 41 -10.989 -1.461 2.907 1.00 0.22 H new ATOM 0 HA2 GLY A 41 -12.388 -0.301 5.254 1.00 0.27 H new ATOM 0 HA3 GLY A 41 -13.138 -0.641 3.707 1.00 0.27 H new ATOM 612 N GLY A 42 -13.953 -2.695 5.002 1.00 0.55 N ATOM 613 CA GLY A 42 -14.349 -4.027 5.414 1.00 0.61 C ATOM 614 C GLY A 42 -13.837 -5.092 4.464 1.00 0.85 C ATOM 615 O GLY A 42 -13.952 -4.947 3.245 1.00 1.79 O ATOM 0 H GLY A 42 -14.726 -2.049 4.841 1.00 0.55 H new ATOM 0 HA2 GLY A 42 -13.970 -4.224 6.417 1.00 0.61 H new ATOM 0 HA3 GLY A 42 -15.436 -4.082 5.468 1.00 0.61 H new ATOM 619 N SER A 43 -13.241 -6.142 5.027 1.00 0.67 N ATOM 620 CA SER A 43 -12.696 -7.254 4.251 1.00 0.80 C ATOM 621 C SER A 43 -11.488 -6.812 3.420 1.00 0.74 C ATOM 622 O SER A 43 -11.101 -7.475 2.460 1.00 1.24 O ATOM 623 CB SER A 43 -13.783 -7.859 3.357 1.00 1.08 C ATOM 624 OG SER A 43 -14.948 -8.153 4.117 1.00 1.64 O ATOM 0 H SER A 43 -13.122 -6.245 6.035 1.00 0.67 H new ATOM 0 HA SER A 43 -12.353 -8.019 4.947 1.00 0.80 H new ATOM 0 HB2 SER A 43 -14.031 -7.164 2.555 1.00 1.08 H new ATOM 0 HB3 SER A 43 -13.410 -8.769 2.886 1.00 1.08 H new ATOM 0 HG SER A 43 -15.633 -8.537 3.531 1.00 1.64 H new ATOM 630 N GLY A 44 -10.889 -5.690 3.805 1.00 0.41 N ATOM 631 CA GLY A 44 -9.729 -5.186 3.101 1.00 0.35 C ATOM 632 C GLY A 44 -8.455 -5.922 3.484 1.00 0.44 C ATOM 633 O GLY A 44 -8.230 -6.217 4.656 1.00 0.89 O ATOM 0 H GLY A 44 -11.189 -5.120 4.596 1.00 0.41 H new ATOM 0 HA2 GLY A 44 -9.890 -5.279 2.027 1.00 0.35 H new ATOM 0 HA3 GLY A 44 -9.610 -4.124 3.315 1.00 0.35 H new ATOM 637 N SER A 45 -7.647 -6.256 2.490 1.00 0.22 N ATOM 638 CA SER A 45 -6.338 -6.859 2.707 1.00 0.25 C ATOM 639 C SER A 45 -5.457 -6.601 1.497 1.00 0.27 C ATOM 640 O SER A 45 -5.939 -6.623 0.372 1.00 0.49 O ATOM 641 CB SER A 45 -6.467 -8.364 2.936 1.00 0.30 C ATOM 642 OG SER A 45 -7.200 -8.644 4.118 1.00 0.85 O ATOM 0 H SER A 45 -7.880 -6.117 1.507 1.00 0.22 H new ATOM 0 HA SER A 45 -5.889 -6.411 3.594 1.00 0.25 H new ATOM 0 HB2 SER A 45 -6.963 -8.823 2.081 1.00 0.30 H new ATOM 0 HB3 SER A 45 -5.475 -8.810 3.006 1.00 0.30 H new ATOM 0 HG SER A 45 -7.380 -7.808 4.597 1.00 0.85 H new ATOM 648 N VAL A 46 -4.184 -6.327 1.715 1.00 0.15 N ATOM 649 CA VAL A 46 -3.277 -6.031 0.607 1.00 0.13 C ATOM 650 C VAL A 46 -1.867 -6.500 0.925 1.00 0.14 C ATOM 651 O VAL A 46 -1.354 -6.243 2.008 1.00 0.25 O ATOM 652 CB VAL A 46 -3.209 -4.521 0.294 1.00 0.16 C ATOM 653 CG1 VAL A 46 -2.512 -4.270 -1.034 1.00 0.21 C ATOM 654 CG2 VAL A 46 -4.576 -3.864 0.311 1.00 0.21 C ATOM 0 H VAL A 46 -3.752 -6.302 2.639 1.00 0.15 H new ATOM 0 HA VAL A 46 -3.675 -6.560 -0.259 1.00 0.13 H new ATOM 0 HB VAL A 46 -2.622 -4.063 1.089 1.00 0.16 H new ATOM 0 HG11 VAL A 46 -2.478 -3.198 -1.230 1.00 0.21 H new ATOM 0 HG12 VAL A 46 -1.497 -4.664 -0.992 1.00 0.21 H new ATOM 0 HG13 VAL A 46 -3.061 -4.768 -1.833 1.00 0.21 H new ATOM 0 HG21 VAL A 46 -4.472 -2.803 0.085 1.00 0.21 H new ATOM 0 HG22 VAL A 46 -5.215 -4.334 -0.437 1.00 0.21 H new ATOM 0 HG23 VAL A 46 -5.025 -3.983 1.297 1.00 0.21 H new ATOM 664 N THR A 47 -1.254 -7.175 -0.025 1.00 0.14 N ATOM 665 CA THR A 47 0.131 -7.570 0.081 1.00 0.14 C ATOM 666 C THR A 47 0.980 -6.705 -0.836 1.00 0.12 C ATOM 667 O THR A 47 0.935 -6.840 -2.063 1.00 0.12 O ATOM 668 CB THR A 47 0.329 -9.048 -0.295 1.00 0.16 C ATOM 669 OG1 THR A 47 -0.426 -9.884 0.596 1.00 0.19 O ATOM 670 CG2 THR A 47 1.797 -9.433 -0.247 1.00 0.17 C ATOM 0 H THR A 47 -1.705 -7.465 -0.893 1.00 0.14 H new ATOM 0 HA THR A 47 0.437 -7.437 1.119 1.00 0.14 H new ATOM 0 HB THR A 47 -0.027 -9.191 -1.315 1.00 0.16 H new ATOM 0 HG1 THR A 47 0.152 -10.594 0.947 1.00 0.19 H new ATOM 0 HG21 THR A 47 1.907 -10.483 -0.517 1.00 0.17 H new ATOM 0 HG22 THR A 47 2.358 -8.817 -0.950 1.00 0.17 H new ATOM 0 HG23 THR A 47 2.182 -9.276 0.761 1.00 0.17 H new ATOM 678 N ILE A 48 1.726 -5.799 -0.239 1.00 0.10 N ATOM 679 CA ILE A 48 2.609 -4.933 -0.988 1.00 0.10 C ATOM 680 C ILE A 48 4.021 -5.479 -0.963 1.00 0.10 C ATOM 681 O ILE A 48 4.697 -5.455 0.067 1.00 0.13 O ATOM 682 CB ILE A 48 2.585 -3.502 -0.434 1.00 0.11 C ATOM 683 CG1 ILE A 48 1.168 -2.954 -0.545 1.00 0.12 C ATOM 684 CG2 ILE A 48 3.573 -2.616 -1.189 1.00 0.13 C ATOM 685 CD1 ILE A 48 0.897 -1.774 0.351 1.00 0.15 C ATOM 0 H ILE A 48 1.737 -5.644 0.769 1.00 0.10 H new ATOM 0 HA ILE A 48 2.256 -4.902 -2.019 1.00 0.10 H new ATOM 0 HB ILE A 48 2.887 -3.511 0.613 1.00 0.11 H new ATOM 0 HG12 ILE A 48 0.982 -2.663 -1.579 1.00 0.12 H new ATOM 0 HG13 ILE A 48 0.462 -3.749 -0.306 1.00 0.12 H new ATOM 0 HG21 ILE A 48 3.541 -1.606 -0.781 1.00 0.13 H new ATOM 0 HG22 ILE A 48 4.580 -3.019 -1.080 1.00 0.13 H new ATOM 0 HG23 ILE A 48 3.305 -2.590 -2.245 1.00 0.13 H new ATOM 0 HD11 ILE A 48 -0.132 -1.442 0.214 1.00 0.15 H new ATOM 0 HD12 ILE A 48 1.049 -2.064 1.391 1.00 0.15 H new ATOM 0 HD13 ILE A 48 1.577 -0.961 0.098 1.00 0.15 H new ATOM 697 N ALA A 49 4.442 -5.999 -2.092 1.00 0.09 N ATOM 698 CA ALA A 49 5.782 -6.512 -2.231 1.00 0.10 C ATOM 699 C ALA A 49 6.731 -5.365 -2.519 1.00 0.09 C ATOM 700 O ALA A 49 6.723 -4.799 -3.614 1.00 0.11 O ATOM 701 CB ALA A 49 5.840 -7.551 -3.334 1.00 0.14 C ATOM 0 H ALA A 49 3.870 -6.078 -2.933 1.00 0.09 H new ATOM 0 HA ALA A 49 6.083 -6.996 -1.302 1.00 0.10 H new ATOM 0 HB1 ALA A 49 6.859 -7.928 -3.426 1.00 0.14 H new ATOM 0 HB2 ALA A 49 5.168 -8.375 -3.093 1.00 0.14 H new ATOM 0 HB3 ALA A 49 5.535 -7.098 -4.277 1.00 0.14 H new ATOM 707 N PHE A 50 7.525 -5.000 -1.531 1.00 0.09 N ATOM 708 CA PHE A 50 8.454 -3.895 -1.672 1.00 0.10 C ATOM 709 C PHE A 50 9.622 -4.286 -2.546 1.00 0.12 C ATOM 710 O PHE A 50 10.101 -5.420 -2.510 1.00 0.16 O ATOM 711 CB PHE A 50 8.931 -3.410 -0.311 1.00 0.11 C ATOM 712 CG PHE A 50 7.868 -2.668 0.437 1.00 0.13 C ATOM 713 CD1 PHE A 50 7.183 -3.267 1.477 1.00 0.27 C ATOM 714 CD2 PHE A 50 7.541 -1.371 0.081 1.00 0.22 C ATOM 715 CE1 PHE A 50 6.194 -2.583 2.149 1.00 0.32 C ATOM 716 CE2 PHE A 50 6.554 -0.683 0.752 1.00 0.28 C ATOM 717 CZ PHE A 50 5.879 -1.292 1.786 1.00 0.28 C ATOM 0 H PHE A 50 7.545 -5.455 -0.618 1.00 0.09 H new ATOM 0 HA PHE A 50 7.930 -3.071 -2.157 1.00 0.10 H new ATOM 0 HB2 PHE A 50 9.259 -4.264 0.281 1.00 0.11 H new ATOM 0 HB3 PHE A 50 9.798 -2.762 -0.443 1.00 0.11 H new ATOM 0 HD1 PHE A 50 7.425 -4.279 1.765 1.00 0.27 H new ATOM 0 HD2 PHE A 50 8.066 -0.893 -0.733 1.00 0.22 H new ATOM 0 HE1 PHE A 50 5.665 -3.059 2.961 1.00 0.32 H new ATOM 0 HE2 PHE A 50 6.311 0.330 0.468 1.00 0.28 H new ATOM 0 HZ PHE A 50 5.102 -0.757 2.313 1.00 0.28 H new ATOM 727 N VAL A 51 10.088 -3.321 -3.313 1.00 0.11 N ATOM 728 CA VAL A 51 11.052 -3.562 -4.364 1.00 0.14 C ATOM 729 C VAL A 51 12.451 -3.838 -3.801 1.00 0.16 C ATOM 730 O VAL A 51 13.372 -4.185 -4.540 1.00 0.25 O ATOM 731 CB VAL A 51 11.074 -2.360 -5.334 1.00 0.15 C ATOM 732 CG1 VAL A 51 11.801 -1.168 -4.736 1.00 0.16 C ATOM 733 CG2 VAL A 51 11.662 -2.751 -6.670 1.00 0.19 C ATOM 0 H VAL A 51 9.807 -2.345 -3.223 1.00 0.11 H new ATOM 0 HA VAL A 51 10.748 -4.456 -4.909 1.00 0.14 H new ATOM 0 HB VAL A 51 10.041 -2.055 -5.500 1.00 0.15 H new ATOM 0 HG11 VAL A 51 11.795 -0.343 -5.449 1.00 0.16 H new ATOM 0 HG12 VAL A 51 11.300 -0.859 -3.819 1.00 0.16 H new ATOM 0 HG13 VAL A 51 12.831 -1.445 -4.511 1.00 0.16 H new ATOM 0 HG21 VAL A 51 11.665 -1.886 -7.333 1.00 0.19 H new ATOM 0 HG22 VAL A 51 12.684 -3.104 -6.529 1.00 0.19 H new ATOM 0 HG23 VAL A 51 11.062 -3.546 -7.113 1.00 0.19 H new ATOM 743 N ASP A 52 12.604 -3.691 -2.489 1.00 0.17 N ATOM 744 CA ASP A 52 13.879 -3.976 -1.835 1.00 0.21 C ATOM 745 C ASP A 52 13.994 -5.459 -1.508 1.00 0.24 C ATOM 746 O ASP A 52 15.092 -5.976 -1.324 1.00 0.33 O ATOM 747 CB ASP A 52 14.028 -3.163 -0.549 1.00 0.28 C ATOM 748 CG ASP A 52 15.459 -3.119 -0.048 1.00 0.56 C ATOM 749 OD1 ASP A 52 15.791 -3.857 0.900 1.00 0.75 O ATOM 750 OD2 ASP A 52 16.260 -2.332 -0.600 1.00 0.72 O ATOM 0 H ASP A 52 11.866 -3.378 -1.859 1.00 0.17 H new ATOM 0 HA ASP A 52 14.674 -3.696 -2.526 1.00 0.21 H new ATOM 0 HB2 ASP A 52 13.677 -2.146 -0.724 1.00 0.28 H new ATOM 0 HB3 ASP A 52 13.390 -3.592 0.223 1.00 0.28 H new ATOM 755 N GLY A 53 12.858 -6.143 -1.451 1.00 0.21 N ATOM 756 CA GLY A 53 12.867 -7.561 -1.139 1.00 0.26 C ATOM 757 C GLY A 53 11.899 -7.928 -0.031 1.00 0.24 C ATOM 758 O GLY A 53 11.555 -9.098 0.137 1.00 0.27 O ATOM 0 H GLY A 53 11.934 -5.744 -1.614 1.00 0.21 H new ATOM 0 HA2 GLY A 53 12.616 -8.127 -2.036 1.00 0.26 H new ATOM 0 HA3 GLY A 53 13.875 -7.857 -0.847 1.00 0.26 H new ATOM 762 N THR A 54 11.460 -6.935 0.728 1.00 0.22 N ATOM 763 CA THR A 54 10.517 -7.159 1.816 1.00 0.22 C ATOM 764 C THR A 54 9.077 -7.120 1.312 1.00 0.19 C ATOM 765 O THR A 54 8.798 -6.542 0.267 1.00 0.25 O ATOM 766 CB THR A 54 10.708 -6.102 2.920 1.00 0.26 C ATOM 767 OG1 THR A 54 11.025 -4.830 2.330 1.00 0.29 O ATOM 768 CG2 THR A 54 11.813 -6.508 3.879 1.00 0.36 C ATOM 0 H THR A 54 11.743 -5.962 0.610 1.00 0.22 H new ATOM 0 HA THR A 54 10.714 -8.149 2.228 1.00 0.22 H new ATOM 0 HB THR A 54 9.776 -6.024 3.480 1.00 0.26 H new ATOM 0 HG1 THR A 54 11.629 -4.336 2.923 1.00 0.29 H new ATOM 0 HG21 THR A 54 11.926 -5.744 4.648 1.00 0.36 H new ATOM 0 HG22 THR A 54 11.558 -7.459 4.347 1.00 0.36 H new ATOM 0 HG23 THR A 54 12.750 -6.613 3.331 1.00 0.36 H new ATOM 776 N ASP A 55 8.165 -7.753 2.042 1.00 0.21 N ATOM 777 CA ASP A 55 6.749 -7.731 1.682 1.00 0.19 C ATOM 778 C ASP A 55 5.922 -7.352 2.902 1.00 0.25 C ATOM 779 O ASP A 55 6.327 -7.622 4.034 1.00 0.44 O ATOM 780 CB ASP A 55 6.265 -9.095 1.159 1.00 0.24 C ATOM 781 CG ASP A 55 7.142 -9.693 0.077 1.00 0.80 C ATOM 782 OD1 ASP A 55 6.957 -9.351 -1.107 1.00 1.51 O ATOM 783 OD2 ASP A 55 8.000 -10.539 0.401 1.00 0.80 O ATOM 0 H ASP A 55 8.379 -8.287 2.885 1.00 0.21 H new ATOM 0 HA ASP A 55 6.624 -6.997 0.886 1.00 0.19 H new ATOM 0 HB2 ASP A 55 6.211 -9.793 1.994 1.00 0.24 H new ATOM 0 HB3 ASP A 55 5.253 -8.984 0.770 1.00 0.24 H new ATOM 788 N VAL A 56 4.778 -6.718 2.680 1.00 0.16 N ATOM 789 CA VAL A 56 3.889 -6.350 3.765 1.00 0.21 C ATOM 790 C VAL A 56 2.466 -6.778 3.493 1.00 0.22 C ATOM 791 O VAL A 56 2.120 -7.171 2.379 1.00 0.30 O ATOM 792 CB VAL A 56 3.892 -4.839 4.016 1.00 0.27 C ATOM 793 CG1 VAL A 56 5.185 -4.403 4.673 1.00 1.39 C ATOM 794 CG2 VAL A 56 3.616 -4.097 2.727 1.00 1.29 C ATOM 0 H VAL A 56 4.446 -6.449 1.754 1.00 0.16 H new ATOM 0 HA VAL A 56 4.266 -6.868 4.647 1.00 0.21 H new ATOM 0 HB VAL A 56 3.091 -4.590 4.712 1.00 0.27 H new ATOM 0 HG11 VAL A 56 5.163 -3.326 4.841 1.00 1.39 H new ATOM 0 HG12 VAL A 56 5.299 -4.917 5.628 1.00 1.39 H new ATOM 0 HG13 VAL A 56 6.025 -4.652 4.024 1.00 1.39 H new ATOM 0 HG21 VAL A 56 3.620 -3.024 2.917 1.00 1.29 H new ATOM 0 HG22 VAL A 56 4.387 -4.339 1.996 1.00 1.29 H new ATOM 0 HG23 VAL A 56 2.641 -4.393 2.338 1.00 1.29 H new ATOM 804 N VAL A 57 1.645 -6.676 4.519 1.00 0.17 N ATOM 805 CA VAL A 57 0.233 -6.980 4.401 1.00 0.20 C ATOM 806 C VAL A 57 -0.594 -5.977 5.201 1.00 0.21 C ATOM 807 O VAL A 57 -0.276 -5.660 6.348 1.00 0.30 O ATOM 808 CB VAL A 57 -0.085 -8.426 4.850 1.00 0.28 C ATOM 809 CG1 VAL A 57 0.240 -8.633 6.323 1.00 0.81 C ATOM 810 CG2 VAL A 57 -1.543 -8.774 4.557 1.00 0.78 C ATOM 0 H VAL A 57 1.935 -6.382 5.452 1.00 0.17 H new ATOM 0 HA VAL A 57 -0.034 -6.900 3.347 1.00 0.20 H new ATOM 0 HB VAL A 57 0.549 -9.102 4.276 1.00 0.28 H new ATOM 0 HG11 VAL A 57 0.005 -9.659 6.607 1.00 0.81 H new ATOM 0 HG12 VAL A 57 1.300 -8.443 6.492 1.00 0.81 H new ATOM 0 HG13 VAL A 57 -0.352 -7.945 6.926 1.00 0.81 H new ATOM 0 HG21 VAL A 57 -1.745 -9.795 4.880 1.00 0.78 H new ATOM 0 HG22 VAL A 57 -2.196 -8.087 5.095 1.00 0.78 H new ATOM 0 HG23 VAL A 57 -1.729 -8.689 3.486 1.00 0.78 H new ATOM 820 N ILE A 58 -1.630 -5.452 4.575 1.00 0.18 N ATOM 821 CA ILE A 58 -2.500 -4.479 5.208 1.00 0.22 C ATOM 822 C ILE A 58 -3.798 -5.144 5.649 1.00 0.29 C ATOM 823 O ILE A 58 -4.299 -6.046 4.972 1.00 0.32 O ATOM 824 CB ILE A 58 -2.813 -3.320 4.243 1.00 0.22 C ATOM 825 CG1 ILE A 58 -1.517 -2.809 3.613 1.00 0.20 C ATOM 826 CG2 ILE A 58 -3.530 -2.191 4.976 1.00 0.29 C ATOM 827 CD1 ILE A 58 -1.719 -1.665 2.655 1.00 0.25 C ATOM 0 H ILE A 58 -1.892 -5.687 3.617 1.00 0.18 H new ATOM 0 HA ILE A 58 -1.986 -4.078 6.082 1.00 0.22 H new ATOM 0 HB ILE A 58 -3.471 -3.685 3.455 1.00 0.22 H new ATOM 0 HG12 ILE A 58 -0.839 -2.492 4.405 1.00 0.20 H new ATOM 0 HG13 ILE A 58 -1.031 -3.630 3.087 1.00 0.20 H new ATOM 0 HG21 ILE A 58 -3.743 -1.381 4.278 1.00 0.29 H new ATOM 0 HG22 ILE A 58 -4.465 -2.565 5.394 1.00 0.29 H new ATOM 0 HG23 ILE A 58 -2.896 -1.819 5.781 1.00 0.29 H new ATOM 0 HD11 ILE A 58 -0.756 -1.357 2.248 1.00 0.25 H new ATOM 0 HD12 ILE A 58 -2.371 -1.982 1.842 1.00 0.25 H new ATOM 0 HD13 ILE A 58 -2.176 -0.827 3.181 1.00 0.25 H new ATOM 839 N GLY A 59 -4.321 -4.715 6.790 1.00 0.35 N ATOM 840 CA GLY A 59 -5.559 -5.271 7.295 1.00 0.43 C ATOM 841 C GLY A 59 -6.773 -4.558 6.744 1.00 0.50 C ATOM 842 O GLY A 59 -6.678 -3.840 5.748 1.00 1.02 O ATOM 0 H GLY A 59 -3.908 -3.989 7.376 1.00 0.35 H new ATOM 0 HA2 GLY A 59 -5.612 -6.328 7.036 1.00 0.43 H new ATOM 0 HA3 GLY A 59 -5.566 -5.208 8.383 1.00 0.43 H new ATOM 846 N GLY A 60 -7.905 -4.723 7.408 1.00 0.35 N ATOM 847 CA GLY A 60 -9.146 -4.174 6.910 1.00 0.36 C ATOM 848 C GLY A 60 -9.650 -3.059 7.788 1.00 0.33 C ATOM 849 O GLY A 60 -9.454 -3.093 9.005 1.00 0.40 O ATOM 0 H GLY A 60 -7.986 -5.231 8.289 1.00 0.35 H new ATOM 0 HA2 GLY A 60 -8.999 -3.802 5.896 1.00 0.36 H new ATOM 0 HA3 GLY A 60 -9.897 -4.962 6.854 1.00 0.36 H new ATOM 853 N ASP A 61 -10.295 -2.073 7.166 1.00 0.28 N ATOM 854 CA ASP A 61 -10.728 -0.858 7.859 1.00 0.31 C ATOM 855 C ASP A 61 -9.511 -0.135 8.439 1.00 0.29 C ATOM 856 O ASP A 61 -9.613 0.677 9.355 1.00 0.43 O ATOM 857 CB ASP A 61 -11.753 -1.196 8.950 1.00 0.41 C ATOM 858 CG ASP A 61 -12.393 0.031 9.573 1.00 0.87 C ATOM 859 OD1 ASP A 61 -12.136 0.307 10.766 1.00 0.96 O ATOM 860 OD2 ASP A 61 -13.161 0.723 8.875 1.00 1.26 O ATOM 0 H ASP A 61 -10.531 -2.092 6.174 1.00 0.28 H new ATOM 0 HA ASP A 61 -11.216 -0.192 7.148 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -12.533 -1.827 8.523 1.00 0.41 H new ATOM 0 HB3 ASP A 61 -11.264 -1.778 9.731 1.00 0.41 H new ATOM 865 N SER A 62 -8.352 -0.430 7.871 1.00 0.22 N ATOM 866 CA SER A 62 -7.100 0.102 8.372 1.00 0.26 C ATOM 867 C SER A 62 -6.605 1.244 7.492 1.00 0.22 C ATOM 868 O SER A 62 -6.945 1.333 6.310 1.00 0.23 O ATOM 869 CB SER A 62 -6.045 -0.999 8.423 1.00 0.32 C ATOM 870 OG SER A 62 -4.946 -0.634 9.238 1.00 1.19 O ATOM 0 H SER A 62 -8.255 -1.039 7.058 1.00 0.22 H new ATOM 0 HA SER A 62 -7.272 0.486 9.378 1.00 0.26 H new ATOM 0 HB2 SER A 62 -6.494 -1.915 8.806 1.00 0.32 H new ATOM 0 HB3 SER A 62 -5.694 -1.214 7.414 1.00 0.32 H new ATOM 0 HG SER A 62 -4.291 -1.363 9.249 1.00 1.19 H new ATOM 876 N ILE A 63 -5.801 2.104 8.086 1.00 0.20 N ATOM 877 CA ILE A 63 -5.218 3.242 7.392 1.00 0.19 C ATOM 878 C ILE A 63 -3.774 3.425 7.846 1.00 0.24 C ATOM 879 O ILE A 63 -3.509 3.557 9.042 1.00 0.38 O ATOM 880 CB ILE A 63 -6.013 4.543 7.658 1.00 0.19 C ATOM 881 CG1 ILE A 63 -7.445 4.410 7.132 1.00 0.19 C ATOM 882 CG2 ILE A 63 -5.322 5.738 7.013 1.00 0.24 C ATOM 883 CD1 ILE A 63 -8.337 5.584 7.475 1.00 0.25 C ATOM 0 H ILE A 63 -5.531 2.035 9.067 1.00 0.20 H new ATOM 0 HA ILE A 63 -5.255 3.040 6.321 1.00 0.19 H new ATOM 0 HB ILE A 63 -6.050 4.707 8.735 1.00 0.19 H new ATOM 0 HG12 ILE A 63 -7.414 4.294 6.049 1.00 0.19 H new ATOM 0 HG13 ILE A 63 -7.887 3.500 7.537 1.00 0.19 H new ATOM 0 HG21 ILE A 63 -5.897 6.642 7.212 1.00 0.24 H new ATOM 0 HG22 ILE A 63 -4.320 5.847 7.428 1.00 0.24 H new ATOM 0 HG23 ILE A 63 -5.254 5.581 5.936 1.00 0.24 H new ATOM 0 HD11 ILE A 63 -9.334 5.415 7.068 1.00 0.25 H new ATOM 0 HD12 ILE A 63 -8.400 5.689 8.558 1.00 0.25 H new ATOM 0 HD13 ILE A 63 -7.920 6.495 7.046 1.00 0.25 H new ATOM 895 N VAL A 64 -2.843 3.401 6.905 1.00 0.15 N ATOM 896 CA VAL A 64 -1.428 3.521 7.235 1.00 0.18 C ATOM 897 C VAL A 64 -0.661 4.206 6.103 1.00 0.15 C ATOM 898 O VAL A 64 -0.952 3.991 4.927 1.00 0.13 O ATOM 899 CB VAL A 64 -0.806 2.133 7.537 1.00 0.23 C ATOM 900 CG1 VAL A 64 -0.894 1.212 6.325 1.00 0.98 C ATOM 901 CG2 VAL A 64 0.635 2.268 8.009 1.00 1.00 C ATOM 0 H VAL A 64 -3.039 3.300 5.909 1.00 0.15 H new ATOM 0 HA VAL A 64 -1.349 4.136 8.131 1.00 0.18 H new ATOM 0 HB VAL A 64 -1.385 1.682 8.343 1.00 0.23 H new ATOM 0 HG11 VAL A 64 -0.450 0.247 6.568 1.00 0.98 H new ATOM 0 HG12 VAL A 64 -1.939 1.071 6.050 1.00 0.98 H new ATOM 0 HG13 VAL A 64 -0.356 1.659 5.489 1.00 0.98 H new ATOM 0 HG21 VAL A 64 1.045 1.279 8.213 1.00 1.00 H new ATOM 0 HG22 VAL A 64 1.228 2.754 7.234 1.00 1.00 H new ATOM 0 HG23 VAL A 64 0.665 2.868 8.918 1.00 1.00 H new ATOM 911 N GLU A 65 0.300 5.045 6.465 1.00 0.18 N ATOM 912 CA GLU A 65 1.118 5.733 5.483 1.00 0.16 C ATOM 913 C GLU A 65 2.401 4.954 5.230 1.00 0.13 C ATOM 914 O GLU A 65 3.091 4.547 6.168 1.00 0.15 O ATOM 915 CB GLU A 65 1.438 7.153 5.951 1.00 0.22 C ATOM 916 CG GLU A 65 2.209 7.967 4.926 1.00 0.33 C ATOM 917 CD GLU A 65 2.509 9.371 5.401 1.00 0.38 C ATOM 918 OE1 GLU A 65 3.588 9.590 5.985 1.00 0.67 O ATOM 919 OE2 GLU A 65 1.662 10.266 5.196 1.00 0.45 O ATOM 0 H GLU A 65 0.530 5.264 7.434 1.00 0.18 H new ATOM 0 HA GLU A 65 0.559 5.798 4.549 1.00 0.16 H new ATOM 0 HB2 GLU A 65 0.507 7.668 6.187 1.00 0.22 H new ATOM 0 HB3 GLU A 65 2.017 7.102 6.873 1.00 0.22 H new ATOM 0 HG2 GLU A 65 3.145 7.459 4.694 1.00 0.33 H new ATOM 0 HG3 GLU A 65 1.635 8.016 4.001 1.00 0.33 H new ATOM 926 N MET A 66 2.698 4.744 3.953 1.00 0.12 N ATOM 927 CA MET A 66 3.877 3.993 3.532 1.00 0.14 C ATOM 928 C MET A 66 5.150 4.737 3.919 1.00 0.13 C ATOM 929 O MET A 66 5.670 5.547 3.150 1.00 0.17 O ATOM 930 CB MET A 66 3.850 3.745 2.017 1.00 0.19 C ATOM 931 CG MET A 66 2.518 3.205 1.507 1.00 0.30 C ATOM 932 SD MET A 66 1.842 1.896 2.544 1.00 0.88 S ATOM 933 CE MET A 66 2.889 0.527 2.090 1.00 0.31 C ATOM 0 H MET A 66 2.129 5.089 3.180 1.00 0.12 H new ATOM 0 HA MET A 66 3.866 3.029 4.041 1.00 0.14 H new ATOM 0 HB2 MET A 66 4.075 4.678 1.501 1.00 0.19 H new ATOM 0 HB3 MET A 66 4.640 3.040 1.759 1.00 0.19 H new ATOM 0 HG2 MET A 66 1.799 4.023 1.450 1.00 0.30 H new ATOM 0 HG3 MET A 66 2.651 2.826 0.494 1.00 0.30 H new ATOM 0 HE1 MET A 66 2.807 -0.259 2.841 1.00 0.31 H new ATOM 0 HE2 MET A 66 2.578 0.137 1.121 1.00 0.31 H new ATOM 0 HE3 MET A 66 3.924 0.865 2.030 1.00 0.31 H new ATOM 943 N THR A 67 5.636 4.446 5.115 1.00 0.13 N ATOM 944 CA THR A 67 6.784 5.127 5.679 1.00 0.14 C ATOM 945 C THR A 67 7.950 4.161 5.894 1.00 0.15 C ATOM 946 O THR A 67 7.929 3.039 5.382 1.00 0.16 O ATOM 947 CB THR A 67 6.392 5.777 7.015 1.00 0.19 C ATOM 948 OG1 THR A 67 5.466 4.924 7.708 1.00 0.29 O ATOM 949 CG2 THR A 67 5.764 7.142 6.793 1.00 0.29 C ATOM 0 H THR A 67 5.242 3.727 5.722 1.00 0.13 H new ATOM 0 HA THR A 67 7.107 5.895 4.976 1.00 0.14 H new ATOM 0 HB THR A 67 7.293 5.909 7.614 1.00 0.19 H new ATOM 0 HG1 THR A 67 4.607 4.923 7.237 1.00 0.29 H new ATOM 0 HG21 THR A 67 5.496 7.580 7.755 1.00 0.29 H new ATOM 0 HG22 THR A 67 6.476 7.792 6.284 1.00 0.29 H new ATOM 0 HG23 THR A 67 4.869 7.035 6.181 1.00 0.29 H new ATOM 957 N ASP A 68 8.953 4.586 6.652 1.00 0.18 N ATOM 958 CA ASP A 68 10.150 3.774 6.883 1.00 0.23 C ATOM 959 C ASP A 68 9.816 2.487 7.634 1.00 0.25 C ATOM 960 O ASP A 68 10.313 1.413 7.296 1.00 0.34 O ATOM 961 CB ASP A 68 11.199 4.573 7.659 1.00 0.32 C ATOM 962 CG ASP A 68 12.459 3.771 7.911 1.00 1.10 C ATOM 963 OD1 ASP A 68 13.287 3.646 6.982 1.00 2.13 O ATOM 964 OD2 ASP A 68 12.634 3.267 9.039 1.00 0.96 O ATOM 0 H ASP A 68 8.965 5.492 7.121 1.00 0.18 H new ATOM 0 HA ASP A 68 10.556 3.503 5.908 1.00 0.23 H new ATOM 0 HB2 ASP A 68 11.450 5.476 7.102 1.00 0.32 H new ATOM 0 HB3 ASP A 68 10.778 4.893 8.612 1.00 0.32 H new ATOM 969 N GLU A 69 8.960 2.600 8.644 1.00 0.29 N ATOM 970 CA GLU A 69 8.516 1.439 9.414 1.00 0.39 C ATOM 971 C GLU A 69 7.754 0.460 8.534 1.00 0.35 C ATOM 972 O GLU A 69 7.670 -0.732 8.828 1.00 0.49 O ATOM 973 CB GLU A 69 7.640 1.883 10.584 1.00 0.49 C ATOM 974 CG GLU A 69 8.426 2.431 11.761 1.00 0.96 C ATOM 975 CD GLU A 69 9.331 1.388 12.383 1.00 1.71 C ATOM 976 OE1 GLU A 69 10.565 1.580 12.364 1.00 2.51 O ATOM 977 OE2 GLU A 69 8.819 0.369 12.890 1.00 1.93 O ATOM 0 H GLU A 69 8.558 3.486 8.951 1.00 0.29 H new ATOM 0 HA GLU A 69 9.400 0.933 9.803 1.00 0.39 H new ATOM 0 HB2 GLU A 69 6.944 2.646 10.236 1.00 0.49 H new ATOM 0 HB3 GLU A 69 7.042 1.036 10.921 1.00 0.49 H new ATOM 0 HG2 GLU A 69 9.026 3.279 11.431 1.00 0.96 H new ATOM 0 HG3 GLU A 69 7.733 2.804 12.515 1.00 0.96 H new ATOM 984 N ILE A 70 7.205 0.983 7.459 1.00 0.21 N ATOM 985 CA ILE A 70 6.496 0.190 6.476 1.00 0.18 C ATOM 986 C ILE A 70 7.463 -0.456 5.489 1.00 0.18 C ATOM 987 O ILE A 70 7.415 -1.661 5.248 1.00 0.24 O ATOM 988 CB ILE A 70 5.485 1.080 5.729 1.00 0.16 C ATOM 989 CG1 ILE A 70 4.164 1.139 6.490 1.00 0.18 C ATOM 990 CG2 ILE A 70 5.266 0.600 4.315 1.00 0.25 C ATOM 991 CD1 ILE A 70 3.229 -0.020 6.197 1.00 0.23 C ATOM 0 H ILE A 70 7.238 1.979 7.240 1.00 0.21 H new ATOM 0 HA ILE A 70 5.964 -0.609 6.992 1.00 0.18 H new ATOM 0 HB ILE A 70 5.901 2.086 5.674 1.00 0.16 H new ATOM 0 HG12 ILE A 70 4.374 1.162 7.559 1.00 0.18 H new ATOM 0 HG13 ILE A 70 3.657 2.072 6.245 1.00 0.18 H new ATOM 0 HG21 ILE A 70 4.547 1.251 3.817 1.00 0.25 H new ATOM 0 HG22 ILE A 70 6.211 0.622 3.773 1.00 0.25 H new ATOM 0 HG23 ILE A 70 4.881 -0.420 4.332 1.00 0.25 H new ATOM 0 HD11 ILE A 70 2.313 0.096 6.777 1.00 0.23 H new ATOM 0 HD12 ILE A 70 2.987 -0.032 5.134 1.00 0.23 H new ATOM 0 HD13 ILE A 70 3.715 -0.957 6.469 1.00 0.23 H new ATOM 1003 N TYR A 71 8.343 0.356 4.937 1.00 0.16 N ATOM 1004 CA TYR A 71 9.290 -0.101 3.938 1.00 0.17 C ATOM 1005 C TYR A 71 10.669 -0.262 4.564 1.00 0.27 C ATOM 1006 O TYR A 71 11.522 0.621 4.466 1.00 0.31 O ATOM 1007 CB TYR A 71 9.329 0.880 2.756 1.00 0.15 C ATOM 1008 CG TYR A 71 10.140 0.403 1.569 1.00 0.13 C ATOM 1009 CD1 TYR A 71 10.688 -0.865 1.565 1.00 0.15 C ATOM 1010 CD2 TYR A 71 10.357 1.210 0.461 1.00 0.13 C ATOM 1011 CE1 TYR A 71 11.426 -1.321 0.493 1.00 0.17 C ATOM 1012 CE2 TYR A 71 11.095 0.762 -0.613 1.00 0.14 C ATOM 1013 CZ TYR A 71 11.628 -0.432 -0.619 1.00 0.15 C ATOM 1014 OH TYR A 71 12.361 -0.957 -1.658 1.00 0.21 O ATOM 0 H TYR A 71 8.422 1.347 5.167 1.00 0.16 H new ATOM 0 HA TYR A 71 8.972 -1.072 3.559 1.00 0.17 H new ATOM 0 HB2 TYR A 71 8.308 1.074 2.428 1.00 0.15 H new ATOM 0 HB3 TYR A 71 9.738 1.829 3.102 1.00 0.15 H new ATOM 0 HD1 TYR A 71 10.536 -1.511 2.417 1.00 0.15 H new ATOM 0 HD2 TYR A 71 9.940 2.206 0.440 1.00 0.13 H new ATOM 0 HE1 TYR A 71 11.841 -2.318 0.489 1.00 0.17 H new ATOM 0 HE2 TYR A 71 11.236 1.409 -1.466 1.00 0.14 H new ATOM 0 HH TYR A 71 12.968 -0.272 -2.009 1.00 0.21 H new ATOM 1024 N ASN A 72 10.869 -1.388 5.230 1.00 0.40 N ATOM 1025 CA ASN A 72 12.157 -1.702 5.825 1.00 0.53 C ATOM 1026 C ASN A 72 13.111 -2.218 4.754 1.00 0.46 C ATOM 1027 O ASN A 72 12.922 -3.310 4.208 1.00 0.61 O ATOM 1028 CB ASN A 72 11.991 -2.734 6.943 1.00 0.79 C ATOM 1029 CG ASN A 72 13.270 -2.971 7.725 1.00 0.96 C ATOM 1030 OD1 ASN A 72 14.071 -3.839 7.385 1.00 1.34 O ATOM 1031 ND2 ASN A 72 13.468 -2.202 8.783 1.00 1.46 N ATOM 0 H ASN A 72 10.154 -2.101 5.372 1.00 0.40 H new ATOM 0 HA ASN A 72 12.577 -0.795 6.260 1.00 0.53 H new ATOM 0 HB2 ASN A 72 11.211 -2.399 7.626 1.00 0.79 H new ATOM 0 HB3 ASN A 72 11.655 -3.677 6.512 1.00 0.79 H new ATOM 0 HD21 ASN A 72 14.309 -2.319 9.348 1.00 1.46 H new ATOM 0 HD22 ASN A 72 12.780 -1.492 9.033 1.00 1.46 H new ATOM 1038 N THR A 73 14.111 -1.415 4.435 1.00 0.40 N ATOM 1039 CA THR A 73 15.084 -1.765 3.414 1.00 0.42 C ATOM 1040 C THR A 73 16.269 -2.507 4.022 1.00 0.58 C ATOM 1041 O THR A 73 16.556 -2.359 5.208 1.00 0.69 O ATOM 1042 CB THR A 73 15.590 -0.503 2.693 1.00 0.51 C ATOM 1043 OG1 THR A 73 15.976 0.486 3.657 1.00 0.66 O ATOM 1044 CG2 THR A 73 14.516 0.071 1.780 1.00 0.43 C ATOM 0 H THR A 73 14.271 -0.508 4.873 1.00 0.40 H new ATOM 0 HA THR A 73 14.588 -2.417 2.695 1.00 0.42 H new ATOM 0 HB THR A 73 16.451 -0.781 2.085 1.00 0.51 H new ATOM 0 HG1 THR A 73 16.299 1.287 3.193 1.00 0.66 H new ATOM 0 HG21 THR A 73 14.899 0.962 1.283 1.00 0.43 H new ATOM 0 HG22 THR A 73 14.240 -0.672 1.032 1.00 0.43 H new ATOM 0 HG23 THR A 73 13.639 0.334 2.371 1.00 0.43 H new ATOM 1052 N GLY A 74 16.943 -3.311 3.216 1.00 0.69 N ATOM 1053 CA GLY A 74 18.115 -4.016 3.690 1.00 0.90 C ATOM 1054 C GLY A 74 18.228 -5.424 3.138 1.00 1.46 C ATOM 1055 O GLY A 74 18.952 -6.253 3.690 1.00 1.91 O ATOM 0 H GLY A 74 16.700 -3.488 2.241 1.00 0.69 H new ATOM 0 HA2 GLY A 74 19.006 -3.452 3.415 1.00 0.90 H new ATOM 0 HA3 GLY A 74 18.089 -4.060 4.779 1.00 0.90 H new ATOM 1059 N ASP A 75 17.513 -5.707 2.058 1.00 2.07 N ATOM 1060 CA ASP A 75 17.601 -7.008 1.409 1.00 3.16 C ATOM 1061 C ASP A 75 18.276 -6.874 0.057 1.00 3.74 C ATOM 1062 O ASP A 75 17.959 -5.972 -0.718 1.00 4.38 O ATOM 1063 CB ASP A 75 16.216 -7.637 1.249 1.00 3.92 C ATOM 1064 CG ASP A 75 15.749 -8.337 2.508 1.00 4.89 C ATOM 1065 OD1 ASP A 75 15.274 -7.641 3.433 1.00 5.30 O ATOM 1066 OD2 ASP A 75 15.841 -9.577 2.580 1.00 5.57 O ATOM 0 H ASP A 75 16.867 -5.055 1.613 1.00 2.07 H new ATOM 0 HA ASP A 75 18.200 -7.663 2.041 1.00 3.16 H new ATOM 0 HB2 ASP A 75 15.498 -6.863 0.980 1.00 3.92 H new ATOM 0 HB3 ASP A 75 16.238 -8.352 0.426 1.00 3.92 H new ATOM 1071 N ASN A 76 19.221 -7.757 -0.219 1.00 4.05 N ATOM 1072 CA ASN A 76 19.959 -7.712 -1.464 1.00 5.07 C ATOM 1073 C ASN A 76 19.149 -8.335 -2.589 1.00 5.95 C ATOM 1074 O ASN A 76 19.084 -9.580 -2.656 1.00 6.53 O ATOM 1075 CB ASN A 76 21.301 -8.429 -1.321 1.00 5.51 C ATOM 1076 CG ASN A 76 22.163 -8.275 -2.558 1.00 6.35 C ATOM 1077 OD1 ASN A 76 22.093 -9.078 -3.488 1.00 6.87 O ATOM 1078 ND2 ASN A 76 22.982 -7.238 -2.576 1.00 6.80 N ATOM 0 H ASN A 76 19.494 -8.515 0.407 1.00 4.05 H new ATOM 0 HA ASN A 76 20.148 -6.667 -1.709 1.00 5.07 H new ATOM 0 HB2 ASN A 76 21.833 -8.032 -0.457 1.00 5.51 H new ATOM 0 HB3 ASN A 76 21.127 -9.488 -1.130 1.00 5.51 H new ATOM 0 HD21 ASN A 76 23.587 -7.080 -3.382 1.00 6.80 H new ATOM 0 HD22 ASN A 76 23.009 -6.596 -1.784 1.00 6.80 H new TER 1085 ASN A 76