USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 417 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 79:sc=0.000357 USER MOD Set 1.2: A 52 THR OG1 : rot -20:sc= 0.27! USER MOD Single : A 2 THR OG1 : rot 114:sc= 0.393 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.0553 X(o=-0.055,f=-0.25) 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 -169:sc= -1.18 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -130:sc= 0 USER MOD Single : A 26 THR OG1 : rot -140:sc= -1.2 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 30:sc= -0.239 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 46 TYR OH : rot 38:sc= -2.87 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -13:sc= -0.438! USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -13.665 1.923 1.181 1.00 0.00 N ATOM 21 CA THR A 2 -12.913 0.659 0.923 1.00 0.00 C ATOM 22 C THR A 2 -11.600 0.656 1.711 1.00 0.00 C ATOM 23 O THR A 2 -10.704 1.437 1.446 1.00 0.00 O ATOM 24 CB THR A 2 -12.639 0.661 -0.582 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.872 0.732 -1.284 1.00 0.00 O ATOM 26 CG2 THR A 2 -11.902 -0.621 -0.974 1.00 0.00 C ATOM 0 HA THR A 2 -13.470 -0.225 1.233 1.00 0.00 H new ATOM 0 HB THR A 2 -12.022 1.523 -0.837 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.929 1.587 -1.760 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.709 -0.616 -2.047 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.956 -0.676 -0.435 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.515 -1.485 -0.720 1.00 0.00 H new ATOM 34 N THR A 3 -11.486 -0.216 2.680 1.00 0.00 N ATOM 35 CA THR A 3 -10.243 -0.283 3.494 1.00 0.00 C ATOM 36 C THR A 3 -9.171 -1.109 2.771 1.00 0.00 C ATOM 37 O THR A 3 -9.186 -2.325 2.798 1.00 0.00 O ATOM 38 CB THR A 3 -10.650 -0.947 4.818 1.00 0.00 C ATOM 39 OG1 THR A 3 -9.504 -1.079 5.646 1.00 0.00 O ATOM 40 CG2 THR A 3 -11.254 -2.335 4.563 1.00 0.00 C ATOM 0 H THR A 3 -12.208 -0.888 2.941 1.00 0.00 H new ATOM 0 HA THR A 3 -9.814 0.705 3.661 1.00 0.00 H new ATOM 0 HB THR A 3 -11.398 -0.324 5.309 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.759 -1.501 6.493 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.536 -2.789 5.513 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.137 -2.237 3.931 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.519 -2.966 4.063 1.00 0.00 H new ATOM 48 N PHE A 4 -8.237 -0.453 2.128 1.00 0.00 N ATOM 49 CA PHE A 4 -7.157 -1.192 1.407 1.00 0.00 C ATOM 50 C PHE A 4 -6.030 -1.545 2.383 1.00 0.00 C ATOM 51 O PHE A 4 -6.011 -1.084 3.509 1.00 0.00 O ATOM 52 CB PHE A 4 -6.652 -0.222 0.336 1.00 0.00 C ATOM 53 CG PHE A 4 -7.709 -0.026 -0.725 1.00 0.00 C ATOM 54 CD1 PHE A 4 -7.805 -0.926 -1.793 1.00 0.00 C ATOM 55 CD2 PHE A 4 -8.586 1.062 -0.644 1.00 0.00 C ATOM 56 CE1 PHE A 4 -8.781 -0.738 -2.781 1.00 0.00 C ATOM 57 CE2 PHE A 4 -9.560 1.251 -1.632 1.00 0.00 C ATOM 58 CZ PHE A 4 -9.657 0.351 -2.700 1.00 0.00 C ATOM 0 H PHE A 4 -8.176 0.564 2.072 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.513 -2.125 0.971 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.400 0.736 0.791 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.739 -0.610 -0.116 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.127 -1.765 -1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.511 1.756 0.180 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.857 -1.433 -3.604 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.236 2.091 -1.570 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.408 0.497 -3.462 1.00 0.00 H new ATOM 68 N LYS A 5 -5.093 -2.357 1.962 1.00 0.00 N ATOM 69 CA LYS A 5 -3.966 -2.741 2.868 1.00 0.00 C ATOM 70 C LYS A 5 -2.644 -2.781 2.092 1.00 0.00 C ATOM 71 O LYS A 5 -2.464 -3.587 1.201 1.00 0.00 O ATOM 72 CB LYS A 5 -4.333 -4.134 3.382 1.00 0.00 C ATOM 73 CG LYS A 5 -3.494 -4.467 4.624 1.00 0.00 C ATOM 74 CD LYS A 5 -4.394 -5.066 5.711 1.00 0.00 C ATOM 75 CE LYS A 5 -3.650 -6.193 6.433 1.00 0.00 C ATOM 76 NZ LYS A 5 -4.697 -6.905 7.217 1.00 0.00 N ATOM 0 H LYS A 5 -5.059 -2.771 1.030 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.829 -2.028 3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.394 -4.173 3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.158 -4.877 2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.705 -5.172 4.363 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.007 -3.566 4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.684 -4.294 6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.312 -5.450 5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.164 -6.863 5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.870 -5.798 7.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.264 -7.692 7.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.137 -6.244 7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.422 -7.276 6.571 1.00 0.00 H new ATOM 90 N LEU A 6 -1.721 -1.915 2.428 1.00 0.00 N ATOM 91 CA LEU A 6 -0.408 -1.893 1.715 1.00 0.00 C ATOM 92 C LEU A 6 0.642 -2.681 2.502 1.00 0.00 C ATOM 93 O LEU A 6 1.045 -2.279 3.578 1.00 0.00 O ATOM 94 CB LEU A 6 -0.011 -0.407 1.662 1.00 0.00 C ATOM 95 CG LEU A 6 0.888 -0.052 0.439 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.965 0.940 0.887 1.00 0.00 C ATOM 97 CD2 LEU A 6 1.589 -1.283 -0.171 1.00 0.00 C ATOM 0 H LEU A 6 -1.821 -1.220 3.168 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.476 -2.344 0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.914 0.202 1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.516 -0.146 2.580 1.00 0.00 H new ATOM 0 HG LEU A 6 0.236 0.372 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.600 1.195 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.491 1.844 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.572 0.488 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.200 -0.971 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.224 -1.750 0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.839 -1.999 -0.508 1.00 0.00 H new ATOM 109 N ILE A 7 1.101 -3.787 1.970 1.00 0.00 N ATOM 110 CA ILE A 7 2.140 -4.580 2.690 1.00 0.00 C ATOM 111 C ILE A 7 3.431 -3.748 2.766 1.00 0.00 C ATOM 112 O ILE A 7 3.542 -2.718 2.126 1.00 0.00 O ATOM 113 CB ILE A 7 2.305 -5.885 1.864 1.00 0.00 C ATOM 114 CG1 ILE A 7 2.647 -7.038 2.809 1.00 0.00 C ATOM 115 CG2 ILE A 7 3.410 -5.764 0.800 1.00 0.00 C ATOM 116 CD1 ILE A 7 1.374 -7.526 3.502 1.00 0.00 C ATOM 0 H ILE A 7 0.802 -4.172 1.074 1.00 0.00 H new ATOM 0 HA ILE A 7 1.874 -4.827 3.718 1.00 0.00 H new ATOM 0 HB ILE A 7 1.363 -6.071 1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.106 -7.855 2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.375 -6.710 3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.488 -6.701 0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.164 -4.956 0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.361 -5.549 1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.618 -8.348 4.175 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.934 -6.708 4.072 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.661 -7.871 2.753 1.00 0.00 H new ATOM 128 N ILE A 8 4.399 -4.181 3.529 1.00 0.00 N ATOM 129 CA ILE A 8 5.669 -3.406 3.625 1.00 0.00 C ATOM 130 C ILE A 8 6.871 -4.333 3.429 1.00 0.00 C ATOM 131 O ILE A 8 7.588 -4.638 4.363 1.00 0.00 O ATOM 132 CB ILE A 8 5.666 -2.799 5.034 1.00 0.00 C ATOM 133 CG1 ILE A 8 4.439 -1.895 5.198 1.00 0.00 C ATOM 134 CG2 ILE A 8 6.934 -1.966 5.248 1.00 0.00 C ATOM 135 CD1 ILE A 8 4.349 -1.409 6.648 1.00 0.00 C ATOM 0 H ILE A 8 4.365 -5.034 4.087 1.00 0.00 H new ATOM 0 HA ILE A 8 5.741 -2.635 2.858 1.00 0.00 H new ATOM 0 HB ILE A 8 5.634 -3.605 5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.510 -1.043 4.522 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.534 -2.441 4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.924 -1.539 6.251 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.811 -2.603 5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.970 -1.163 4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.476 -0.766 6.763 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.258 -2.267 7.314 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.249 -0.847 6.900 1.00 0.00 H new ATOM 147 N ASN A 9 7.104 -4.771 2.216 1.00 0.00 N ATOM 148 CA ASN A 9 8.272 -5.662 1.953 1.00 0.00 C ATOM 149 C ASN A 9 9.460 -4.810 1.504 1.00 0.00 C ATOM 150 O ASN A 9 10.113 -5.098 0.519 1.00 0.00 O ATOM 151 CB ASN A 9 7.817 -6.612 0.836 1.00 0.00 C ATOM 152 CG ASN A 9 7.761 -8.047 1.367 1.00 0.00 C ATOM 153 OD1 ASN A 9 8.684 -8.505 2.011 1.00 0.00 O ATOM 154 ND2 ASN A 9 6.710 -8.780 1.122 1.00 0.00 N ATOM 0 H ASN A 9 6.535 -4.549 1.399 1.00 0.00 H new ATOM 0 HA ASN A 9 8.587 -6.220 2.834 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.836 -6.312 0.468 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.505 -6.553 -0.007 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.663 -9.737 1.471 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.935 -8.396 0.581 1.00 0.00 H new ATOM 161 N GLY A 10 9.733 -3.755 2.225 1.00 0.00 N ATOM 162 CA GLY A 10 10.864 -2.859 1.858 1.00 0.00 C ATOM 163 C GLY A 10 11.990 -2.997 2.878 1.00 0.00 C ATOM 164 O GLY A 10 11.769 -3.369 4.015 1.00 0.00 O ATOM 0 H GLY A 10 9.216 -3.475 3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.231 -3.111 0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.522 -1.825 1.819 1.00 0.00 H new ATOM 168 N LYS A 11 13.195 -2.682 2.479 1.00 0.00 N ATOM 169 CA LYS A 11 14.348 -2.773 3.424 1.00 0.00 C ATOM 170 C LYS A 11 14.305 -1.616 4.435 1.00 0.00 C ATOM 171 O LYS A 11 15.091 -1.574 5.363 1.00 0.00 O ATOM 172 CB LYS A 11 15.595 -2.671 2.544 1.00 0.00 C ATOM 173 CG LYS A 11 16.843 -2.926 3.391 1.00 0.00 C ATOM 174 CD LYS A 11 18.045 -3.156 2.473 1.00 0.00 C ATOM 175 CE LYS A 11 18.164 -4.647 2.149 1.00 0.00 C ATOM 176 NZ LYS A 11 18.826 -4.699 0.816 1.00 0.00 N ATOM 0 H LYS A 11 13.431 -2.365 1.538 1.00 0.00 H new ATOM 0 HA LYS A 11 14.332 -3.697 4.002 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.540 -3.396 1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.650 -1.683 2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 11 17.030 -2.076 4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.690 -3.795 4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 11 17.929 -2.582 1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 11 18.957 -2.804 2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.753 -5.169 2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.185 -5.125 2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 18.943 -5.691 0.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.239 -4.200 0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 19.759 -4.243 0.874 1.00 0.00 H new ATOM 190 N THR A 12 13.396 -0.678 4.268 1.00 0.00 N ATOM 191 CA THR A 12 13.313 0.465 5.222 1.00 0.00 C ATOM 192 C THR A 12 12.273 0.173 6.306 1.00 0.00 C ATOM 193 O THR A 12 12.404 0.614 7.432 1.00 0.00 O ATOM 194 CB THR A 12 12.877 1.659 4.370 1.00 0.00 C ATOM 195 OG1 THR A 12 13.753 1.789 3.259 1.00 0.00 O ATOM 196 CG2 THR A 12 12.924 2.934 5.213 1.00 0.00 C ATOM 0 H THR A 12 12.712 -0.661 3.511 1.00 0.00 H new ATOM 0 HA THR A 12 14.259 0.649 5.730 1.00 0.00 H new ATOM 0 HB THR A 12 11.859 1.501 4.014 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.475 2.552 2.711 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.613 3.784 4.605 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.252 2.832 6.065 1.00 0.00 H new ATOM 0 HG23 THR A 12 13.941 3.096 5.571 1.00 0.00 H new ATOM 204 N LEU A 13 11.240 -0.566 5.975 1.00 0.00 N ATOM 205 CA LEU A 13 10.191 -0.880 6.996 1.00 0.00 C ATOM 206 C LEU A 13 9.590 -2.268 6.743 1.00 0.00 C ATOM 207 O LEU A 13 9.753 -2.842 5.683 1.00 0.00 O ATOM 208 CB LEU A 13 9.126 0.213 6.825 1.00 0.00 C ATOM 209 CG LEU A 13 9.086 1.096 8.075 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.367 2.406 7.753 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.337 0.362 9.190 1.00 0.00 C ATOM 0 H LEU A 13 11.079 -0.962 5.049 1.00 0.00 H new ATOM 0 HA LEU A 13 10.597 -0.897 8.007 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.351 0.819 5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.149 -0.241 6.657 1.00 0.00 H new ATOM 0 HG LEU A 13 10.103 1.313 8.401 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.339 3.034 8.643 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.900 2.927 6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.349 2.192 7.428 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.307 0.988 10.082 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.320 0.146 8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.850 -0.572 9.420 1.00 0.00 H new ATOM 223 N LYS A 14 8.897 -2.806 7.716 1.00 0.00 N ATOM 224 CA LYS A 14 8.280 -4.157 7.552 1.00 0.00 C ATOM 225 C LYS A 14 6.935 -4.220 8.284 1.00 0.00 C ATOM 226 O LYS A 14 6.788 -3.696 9.373 1.00 0.00 O ATOM 227 CB LYS A 14 9.279 -5.125 8.184 1.00 0.00 C ATOM 228 CG LYS A 14 10.256 -5.621 7.117 1.00 0.00 C ATOM 229 CD LYS A 14 11.291 -6.544 7.763 1.00 0.00 C ATOM 230 CE LYS A 14 12.338 -5.702 8.496 1.00 0.00 C ATOM 231 NZ LYS A 14 13.179 -6.688 9.229 1.00 0.00 N ATOM 0 H LYS A 14 8.732 -2.365 8.621 1.00 0.00 H new ATOM 0 HA LYS A 14 8.083 -4.397 6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.823 -4.629 8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.752 -5.969 8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.716 -6.154 6.334 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.753 -4.775 6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.802 -7.224 8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.771 -7.159 7.002 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.935 -5.117 7.796 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.868 -4.997 9.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.921 -6.186 9.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.585 -7.225 9.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.619 -7.342 8.550 1.00 0.00 H new ATOM 245 N GLY A 15 5.956 -4.861 7.694 1.00 0.00 N ATOM 246 CA GLY A 15 4.620 -4.965 8.348 1.00 0.00 C ATOM 247 C GLY A 15 3.526 -4.615 7.338 1.00 0.00 C ATOM 248 O GLY A 15 3.632 -4.921 6.165 1.00 0.00 O ATOM 0 H GLY A 15 6.028 -5.317 6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.468 -5.975 8.729 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.569 -4.291 9.203 1.00 0.00 H new ATOM 252 N GLU A 16 2.475 -3.975 7.786 1.00 0.00 N ATOM 253 CA GLU A 16 1.366 -3.600 6.859 1.00 0.00 C ATOM 254 C GLU A 16 0.774 -2.246 7.260 1.00 0.00 C ATOM 255 O GLU A 16 0.965 -1.780 8.367 1.00 0.00 O ATOM 256 CB GLU A 16 0.322 -4.704 7.021 1.00 0.00 C ATOM 257 CG GLU A 16 0.906 -6.037 6.550 1.00 0.00 C ATOM 258 CD GLU A 16 -0.191 -7.104 6.557 1.00 0.00 C ATOM 259 OE1 GLU A 16 -0.680 -7.415 7.631 1.00 0.00 O ATOM 260 OE2 GLU A 16 -0.524 -7.590 5.489 1.00 0.00 O ATOM 0 H GLU A 16 2.338 -3.696 8.757 1.00 0.00 H new ATOM 0 HA GLU A 16 1.707 -3.507 5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.016 -4.778 8.064 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.570 -4.462 6.443 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.319 -5.931 5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.726 -6.338 7.202 1.00 0.00 H new ATOM 267 N THR A 17 0.054 -1.617 6.366 1.00 0.00 N ATOM 268 CA THR A 17 -0.560 -0.293 6.687 1.00 0.00 C ATOM 269 C THR A 17 -1.992 -0.236 6.146 1.00 0.00 C ATOM 270 O THR A 17 -2.284 -0.763 5.089 1.00 0.00 O ATOM 271 CB THR A 17 0.323 0.740 5.982 1.00 0.00 C ATOM 272 OG1 THR A 17 1.689 0.373 6.126 1.00 0.00 O ATOM 273 CG2 THR A 17 0.096 2.117 6.606 1.00 0.00 C ATOM 0 H THR A 17 -0.135 -1.964 5.426 1.00 0.00 H new ATOM 0 HA THR A 17 -0.615 -0.111 7.760 1.00 0.00 H new ATOM 0 HB THR A 17 0.066 0.775 4.923 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.259 1.113 5.831 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.725 2.852 6.104 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.951 2.399 6.495 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.352 2.083 7.665 1.00 0.00 H new ATOM 281 N THR A 18 -2.883 0.399 6.865 1.00 0.00 N ATOM 282 CA THR A 18 -4.300 0.492 6.400 1.00 0.00 C ATOM 283 C THR A 18 -4.762 1.953 6.392 1.00 0.00 C ATOM 284 O THR A 18 -4.259 2.774 7.135 1.00 0.00 O ATOM 285 CB THR A 18 -5.107 -0.319 7.416 1.00 0.00 C ATOM 286 OG1 THR A 18 -4.836 0.163 8.725 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.717 -1.795 7.323 1.00 0.00 C ATOM 0 H THR A 18 -2.690 0.858 7.755 1.00 0.00 H new ATOM 0 HA THR A 18 -4.425 0.114 5.385 1.00 0.00 H new ATOM 0 HB THR A 18 -6.171 -0.214 7.201 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.353 -0.354 9.378 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.293 -2.370 8.048 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.926 -2.164 6.319 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.654 -1.904 7.536 1.00 0.00 H new ATOM 295 N THR A 19 -5.718 2.277 5.558 1.00 0.00 N ATOM 296 CA THR A 19 -6.223 3.682 5.496 1.00 0.00 C ATOM 297 C THR A 19 -7.625 3.715 4.874 1.00 0.00 C ATOM 298 O THR A 19 -8.005 2.826 4.134 1.00 0.00 O ATOM 299 CB THR A 19 -5.218 4.433 4.614 1.00 0.00 C ATOM 300 OG1 THR A 19 -5.619 5.791 4.498 1.00 0.00 O ATOM 301 CG2 THR A 19 -5.158 3.799 3.221 1.00 0.00 C ATOM 0 H THR A 19 -6.171 1.627 4.916 1.00 0.00 H new ATOM 0 HA THR A 19 -6.307 4.134 6.485 1.00 0.00 H new ATOM 0 HB THR A 19 -4.230 4.376 5.071 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.621 6.052 3.553 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.441 4.342 2.605 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.847 2.758 3.308 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.143 3.846 2.757 1.00 0.00 H new ATOM 309 N GLU A 20 -8.390 4.735 5.169 1.00 0.00 N ATOM 310 CA GLU A 20 -9.767 4.835 4.598 1.00 0.00 C ATOM 311 C GLU A 20 -9.720 5.505 3.222 1.00 0.00 C ATOM 312 O GLU A 20 -9.225 6.607 3.078 1.00 0.00 O ATOM 313 CB GLU A 20 -10.543 5.704 5.588 1.00 0.00 C ATOM 314 CG GLU A 20 -12.043 5.474 5.401 1.00 0.00 C ATOM 315 CD GLU A 20 -12.420 4.095 5.945 1.00 0.00 C ATOM 316 OE1 GLU A 20 -12.218 3.124 5.234 1.00 0.00 O ATOM 317 OE2 GLU A 20 -12.904 4.032 7.063 1.00 0.00 O ATOM 0 H GLU A 20 -8.120 5.504 5.782 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.230 3.858 4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.251 5.459 6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.303 6.756 5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.608 6.248 5.920 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.303 5.544 4.345 1.00 0.00 H new ATOM 324 N ALA A 21 -10.233 4.846 2.213 1.00 0.00 N ATOM 325 CA ALA A 21 -10.222 5.441 0.842 1.00 0.00 C ATOM 326 C ALA A 21 -11.463 4.999 0.062 1.00 0.00 C ATOM 327 O ALA A 21 -11.935 3.888 0.210 1.00 0.00 O ATOM 328 CB ALA A 21 -8.954 4.897 0.183 1.00 0.00 C ATOM 0 H ALA A 21 -10.659 3.922 2.280 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.234 6.531 0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.874 5.289 -0.831 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.083 5.205 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.000 3.809 0.148 1.00 0.00 H new ATOM 334 N VAL A 22 -11.992 5.864 -0.768 1.00 0.00 N ATOM 335 CA VAL A 22 -13.207 5.502 -1.565 1.00 0.00 C ATOM 336 C VAL A 22 -12.919 4.276 -2.443 1.00 0.00 C ATOM 337 O VAL A 22 -13.774 3.435 -2.646 1.00 0.00 O ATOM 338 CB VAL A 22 -13.515 6.737 -2.425 1.00 0.00 C ATOM 339 CG1 VAL A 22 -12.329 7.051 -3.342 1.00 0.00 C ATOM 340 CG2 VAL A 22 -14.759 6.470 -3.277 1.00 0.00 C ATOM 0 H VAL A 22 -11.635 6.806 -0.929 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.053 5.240 -0.930 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.694 7.589 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.559 7.928 -3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.444 7.249 -2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.139 6.200 -3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.977 7.347 -3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.579 5.612 -3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.608 6.261 -2.626 1.00 0.00 H new ATOM 350 N ASP A 23 -11.719 4.172 -2.958 1.00 0.00 N ATOM 351 CA ASP A 23 -11.364 3.002 -3.820 1.00 0.00 C ATOM 352 C ASP A 23 -9.860 2.989 -4.109 1.00 0.00 C ATOM 353 O ASP A 23 -9.093 3.704 -3.492 1.00 0.00 O ATOM 354 CB ASP A 23 -12.167 3.176 -5.117 1.00 0.00 C ATOM 355 CG ASP A 23 -11.868 4.539 -5.752 1.00 0.00 C ATOM 356 OD1 ASP A 23 -10.701 4.857 -5.909 1.00 0.00 O ATOM 357 OD2 ASP A 23 -12.814 5.239 -6.074 1.00 0.00 O ATOM 0 H ASP A 23 -10.968 4.848 -2.818 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.600 2.056 -3.332 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.917 2.379 -5.817 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.233 3.092 -4.906 1.00 0.00 H new ATOM 362 N ALA A 24 -9.436 2.166 -5.035 1.00 0.00 N ATOM 363 CA ALA A 24 -7.982 2.078 -5.369 1.00 0.00 C ATOM 364 C ALA A 24 -7.423 3.446 -5.779 1.00 0.00 C ATOM 365 O ALA A 24 -6.274 3.754 -5.522 1.00 0.00 O ATOM 366 CB ALA A 24 -7.896 1.096 -6.540 1.00 0.00 C ATOM 0 H ALA A 24 -10.039 1.547 -5.577 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.396 1.750 -4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.855 0.980 -6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.295 0.129 -6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.477 1.479 -7.379 1.00 0.00 H new ATOM 372 N ALA A 25 -8.221 4.264 -6.422 1.00 0.00 N ATOM 373 CA ALA A 25 -7.731 5.614 -6.861 1.00 0.00 C ATOM 374 C ALA A 25 -7.168 6.403 -5.672 1.00 0.00 C ATOM 375 O ALA A 25 -6.088 6.960 -5.745 1.00 0.00 O ATOM 376 CB ALA A 25 -8.960 6.321 -7.436 1.00 0.00 C ATOM 0 H ALA A 25 -9.190 4.058 -6.663 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.926 5.532 -7.591 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.680 7.317 -7.779 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.352 5.745 -8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.726 6.405 -6.665 1.00 0.00 H new ATOM 382 N THR A 26 -7.891 6.452 -4.583 1.00 0.00 N ATOM 383 CA THR A 26 -7.403 7.203 -3.387 1.00 0.00 C ATOM 384 C THR A 26 -6.498 6.310 -2.531 1.00 0.00 C ATOM 385 O THR A 26 -5.625 6.788 -1.832 1.00 0.00 O ATOM 386 CB THR A 26 -8.667 7.583 -2.613 1.00 0.00 C ATOM 387 OG1 THR A 26 -9.597 8.190 -3.499 1.00 0.00 O ATOM 388 CG2 THR A 26 -8.308 8.564 -1.496 1.00 0.00 C ATOM 0 H THR A 26 -8.800 6.004 -4.470 1.00 0.00 H new ATOM 0 HA THR A 26 -6.815 8.078 -3.663 1.00 0.00 H new ATOM 0 HB THR A 26 -9.110 6.688 -2.177 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.036 8.941 -3.048 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.209 8.834 -0.945 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.594 8.097 -0.817 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.864 9.461 -1.928 1.00 0.00 H new ATOM 396 N ALA A 27 -6.704 5.017 -2.582 1.00 0.00 N ATOM 397 CA ALA A 27 -5.859 4.085 -1.771 1.00 0.00 C ATOM 398 C ALA A 27 -4.388 4.215 -2.174 1.00 0.00 C ATOM 399 O ALA A 27 -3.545 4.571 -1.372 1.00 0.00 O ATOM 400 CB ALA A 27 -6.379 2.682 -2.095 1.00 0.00 C ATOM 0 H ALA A 27 -7.421 4.566 -3.150 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.919 4.304 -0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.806 1.943 -1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.431 2.611 -1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.271 2.492 -3.163 1.00 0.00 H new ATOM 406 N GLU A 28 -4.077 3.928 -3.413 1.00 0.00 N ATOM 407 CA GLU A 28 -2.659 4.031 -3.882 1.00 0.00 C ATOM 408 C GLU A 28 -2.144 5.462 -3.712 1.00 0.00 C ATOM 409 O GLU A 28 -1.008 5.675 -3.347 1.00 0.00 O ATOM 410 CB GLU A 28 -2.695 3.648 -5.363 1.00 0.00 C ATOM 411 CG GLU A 28 -1.278 3.324 -5.840 1.00 0.00 C ATOM 412 CD GLU A 28 -1.189 3.530 -7.353 1.00 0.00 C ATOM 413 OE1 GLU A 28 -2.152 3.214 -8.032 1.00 0.00 O ATOM 414 OE2 GLU A 28 -0.158 3.999 -7.808 1.00 0.00 O ATOM 0 H GLU A 28 -4.745 3.626 -4.122 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.993 3.384 -3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.346 2.786 -5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.110 4.466 -5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.557 3.964 -5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.024 2.295 -5.587 1.00 0.00 H new ATOM 421 N LYS A 29 -2.971 6.444 -3.973 1.00 0.00 N ATOM 422 CA LYS A 29 -2.523 7.869 -3.827 1.00 0.00 C ATOM 423 C LYS A 29 -1.995 8.127 -2.409 1.00 0.00 C ATOM 424 O LYS A 29 -1.004 8.809 -2.222 1.00 0.00 O ATOM 425 CB LYS A 29 -3.771 8.710 -4.095 1.00 0.00 C ATOM 426 CG LYS A 29 -3.357 10.125 -4.507 1.00 0.00 C ATOM 427 CD LYS A 29 -4.597 10.918 -4.931 1.00 0.00 C ATOM 428 CE LYS A 29 -4.236 11.857 -6.086 1.00 0.00 C ATOM 429 NZ LYS A 29 -5.409 11.809 -7.002 1.00 0.00 N ATOM 0 H LYS A 29 -3.936 6.324 -4.281 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.711 8.112 -4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.369 8.251 -4.882 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.395 8.748 -3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.859 10.626 -3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.642 10.081 -5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.390 10.236 -5.238 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.979 11.493 -4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.055 12.871 -5.729 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.327 11.530 -6.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.237 12.428 -7.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.553 10.833 -7.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.258 12.132 -6.496 1.00 0.00 H new ATOM 443 N VAL A 30 -2.649 7.582 -1.416 1.00 0.00 N ATOM 444 CA VAL A 30 -2.193 7.786 -0.008 1.00 0.00 C ATOM 445 C VAL A 30 -1.061 6.809 0.327 1.00 0.00 C ATOM 446 O VAL A 30 -0.045 7.191 0.878 1.00 0.00 O ATOM 447 CB VAL A 30 -3.431 7.504 0.853 1.00 0.00 C ATOM 448 CG1 VAL A 30 -3.077 7.642 2.337 1.00 0.00 C ATOM 449 CG2 VAL A 30 -4.533 8.506 0.502 1.00 0.00 C ATOM 0 H VAL A 30 -3.482 7.003 -1.520 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.802 8.789 0.162 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.778 6.489 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.961 7.440 2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.293 6.929 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.725 8.655 2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.414 8.307 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.179 9.519 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.793 8.407 -0.552 1.00 0.00 H new ATOM 459 N PHE A 31 -1.232 5.553 0.001 1.00 0.00 N ATOM 460 CA PHE A 31 -0.169 4.547 0.304 1.00 0.00 C ATOM 461 C PHE A 31 1.098 4.857 -0.495 1.00 0.00 C ATOM 462 O PHE A 31 2.201 4.664 -0.018 1.00 0.00 O ATOM 463 CB PHE A 31 -0.754 3.194 -0.112 1.00 0.00 C ATOM 464 CG PHE A 31 -1.597 2.628 1.012 1.00 0.00 C ATOM 465 CD1 PHE A 31 -1.088 2.565 2.318 1.00 0.00 C ATOM 466 CD2 PHE A 31 -2.889 2.161 0.744 1.00 0.00 C ATOM 467 CE1 PHE A 31 -1.871 2.037 3.351 1.00 0.00 C ATOM 468 CE2 PHE A 31 -3.671 1.632 1.778 1.00 0.00 C ATOM 469 CZ PHE A 31 -3.162 1.570 3.080 1.00 0.00 C ATOM 0 H PHE A 31 -2.061 5.181 -0.462 1.00 0.00 H new ATOM 0 HA PHE A 31 0.111 4.555 1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.361 3.311 -1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.050 2.501 -0.359 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.091 2.924 2.526 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.283 2.209 -0.261 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.479 1.990 4.356 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.668 1.272 1.571 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.766 1.161 3.877 1.00 0.00 H new ATOM 479 N LYS A 32 0.950 5.346 -1.701 1.00 0.00 N ATOM 480 CA LYS A 32 2.152 5.680 -2.524 1.00 0.00 C ATOM 481 C LYS A 32 2.938 6.798 -1.835 1.00 0.00 C ATOM 482 O LYS A 32 4.148 6.744 -1.732 1.00 0.00 O ATOM 483 CB LYS A 32 1.610 6.152 -3.876 1.00 0.00 C ATOM 484 CG LYS A 32 2.775 6.505 -4.805 1.00 0.00 C ATOM 485 CD LYS A 32 3.060 8.008 -4.723 1.00 0.00 C ATOM 486 CE LYS A 32 3.422 8.539 -6.112 1.00 0.00 C ATOM 487 NZ LYS A 32 2.121 8.933 -6.722 1.00 0.00 N ATOM 0 H LYS A 32 0.052 5.528 -2.150 1.00 0.00 H new ATOM 0 HA LYS A 32 2.824 4.830 -2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.998 5.371 -4.326 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.967 7.021 -3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.663 5.940 -4.522 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.533 6.226 -5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.186 8.534 -4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.877 8.196 -4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.101 9.389 -6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.923 7.777 -6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.285 9.308 -7.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.498 8.102 -6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.670 9.665 -6.136 1.00 0.00 H new ATOM 501 N GLN A 33 2.251 7.803 -1.346 1.00 0.00 N ATOM 502 CA GLN A 33 2.950 8.923 -0.640 1.00 0.00 C ATOM 503 C GLN A 33 3.687 8.376 0.582 1.00 0.00 C ATOM 504 O GLN A 33 4.740 8.853 0.959 1.00 0.00 O ATOM 505 CB GLN A 33 1.844 9.894 -0.218 1.00 0.00 C ATOM 506 CG GLN A 33 2.466 11.115 0.462 1.00 0.00 C ATOM 507 CD GLN A 33 2.853 12.147 -0.599 1.00 0.00 C ATOM 508 OE1 GLN A 33 2.027 12.922 -1.039 1.00 0.00 O ATOM 509 NE2 GLN A 33 4.083 12.191 -1.032 1.00 0.00 N ATOM 0 H GLN A 33 1.237 7.896 -1.405 1.00 0.00 H new ATOM 0 HA GLN A 33 3.689 9.416 -1.271 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.267 10.205 -1.089 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.152 9.399 0.463 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.759 11.551 1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.345 10.818 1.034 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.777 11.541 -0.663 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.351 12.876 -1.739 1.00 0.00 H new ATOM 518 N TYR A 34 3.137 7.360 1.179 1.00 0.00 N ATOM 519 CA TYR A 34 3.784 6.729 2.369 1.00 0.00 C ATOM 520 C TYR A 34 5.070 6.019 1.911 1.00 0.00 C ATOM 521 O TYR A 34 6.147 6.274 2.416 1.00 0.00 O ATOM 522 CB TYR A 34 2.712 5.747 2.909 1.00 0.00 C ATOM 523 CG TYR A 34 3.334 4.539 3.580 1.00 0.00 C ATOM 524 CD1 TYR A 34 3.784 4.632 4.897 1.00 0.00 C ATOM 525 CD2 TYR A 34 3.458 3.335 2.876 1.00 0.00 C ATOM 526 CE1 TYR A 34 4.362 3.518 5.519 1.00 0.00 C ATOM 527 CE2 TYR A 34 4.035 2.220 3.494 1.00 0.00 C ATOM 528 CZ TYR A 34 4.488 2.311 4.817 1.00 0.00 C ATOM 529 OH TYR A 34 5.057 1.213 5.429 1.00 0.00 O ATOM 0 H TYR A 34 2.257 6.932 0.893 1.00 0.00 H new ATOM 0 HA TYR A 34 4.085 7.430 3.147 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.070 6.267 3.621 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.076 5.418 2.088 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.687 5.562 5.437 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.108 3.267 1.856 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.710 3.589 6.539 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.131 1.291 2.952 1.00 0.00 H new ATOM 0 HH TYR A 34 4.884 1.250 6.393 1.00 0.00 H new ATOM 539 N ALA A 35 4.950 5.133 0.958 1.00 0.00 N ATOM 540 CA ALA A 35 6.148 4.396 0.454 1.00 0.00 C ATOM 541 C ALA A 35 7.115 5.365 -0.233 1.00 0.00 C ATOM 542 O ALA A 35 8.312 5.309 -0.029 1.00 0.00 O ATOM 543 CB ALA A 35 5.599 3.383 -0.550 1.00 0.00 C ATOM 0 H ALA A 35 4.070 4.886 0.504 1.00 0.00 H new ATOM 0 HA ALA A 35 6.702 3.911 1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.421 2.801 -0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.899 2.715 -0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.084 3.910 -1.354 1.00 0.00 H new ATOM 549 N ASN A 36 6.600 6.253 -1.049 1.00 0.00 N ATOM 550 CA ASN A 36 7.478 7.232 -1.761 1.00 0.00 C ATOM 551 C ASN A 36 8.316 8.030 -0.755 1.00 0.00 C ATOM 552 O ASN A 36 9.435 8.416 -1.036 1.00 0.00 O ATOM 553 CB ASN A 36 6.522 8.161 -2.515 1.00 0.00 C ATOM 554 CG ASN A 36 7.309 8.982 -3.538 1.00 0.00 C ATOM 555 OD1 ASN A 36 7.498 10.170 -3.365 1.00 0.00 O ATOM 556 ND2 ASN A 36 7.777 8.396 -4.605 1.00 0.00 N ATOM 0 H ASN A 36 5.604 6.341 -1.253 1.00 0.00 H new ATOM 0 HA ASN A 36 8.177 6.735 -2.434 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.751 7.577 -3.017 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.014 8.824 -1.814 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.302 8.935 -5.294 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.618 7.399 -4.750 1.00 0.00 H new ATOM 563 N ASP A 37 7.780 8.271 0.414 1.00 0.00 N ATOM 564 CA ASP A 37 8.540 9.037 1.448 1.00 0.00 C ATOM 565 C ASP A 37 9.695 8.186 1.982 1.00 0.00 C ATOM 566 O ASP A 37 10.836 8.608 1.989 1.00 0.00 O ATOM 567 CB ASP A 37 7.528 9.329 2.558 1.00 0.00 C ATOM 568 CG ASP A 37 8.067 10.438 3.464 1.00 0.00 C ATOM 569 OD1 ASP A 37 9.126 10.245 4.038 1.00 0.00 O ATOM 570 OD2 ASP A 37 7.411 11.462 3.567 1.00 0.00 O ATOM 0 H ASP A 37 6.848 7.970 0.698 1.00 0.00 H new ATOM 0 HA ASP A 37 8.974 9.954 1.049 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.574 9.631 2.125 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.342 8.427 3.141 1.00 0.00 H new ATOM 575 N ASN A 38 9.404 6.987 2.422 1.00 0.00 N ATOM 576 CA ASN A 38 10.481 6.096 2.951 1.00 0.00 C ATOM 577 C ASN A 38 11.403 5.665 1.809 1.00 0.00 C ATOM 578 O ASN A 38 12.611 5.631 1.953 1.00 0.00 O ATOM 579 CB ASN A 38 9.753 4.885 3.539 1.00 0.00 C ATOM 580 CG ASN A 38 9.564 5.085 5.044 1.00 0.00 C ATOM 581 OD1 ASN A 38 10.518 5.068 5.796 1.00 0.00 O ATOM 582 ND2 ASN A 38 8.363 5.274 5.518 1.00 0.00 N ATOM 0 H ASN A 38 8.466 6.587 2.437 1.00 0.00 H new ATOM 0 HA ASN A 38 11.100 6.593 3.698 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.785 4.758 3.054 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.325 3.977 3.351 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.225 5.407 6.520 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.562 5.288 4.887 1.00 0.00 H new ATOM 589 N GLY A 39 10.838 5.341 0.673 1.00 0.00 N ATOM 590 CA GLY A 39 11.671 4.917 -0.490 1.00 0.00 C ATOM 591 C GLY A 39 11.350 3.467 -0.856 1.00 0.00 C ATOM 592 O GLY A 39 12.238 2.676 -1.111 1.00 0.00 O ATOM 0 H GLY A 39 9.832 5.352 0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.479 5.568 -1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.729 5.015 -0.246 1.00 0.00 H new ATOM 596 N ILE A 40 10.088 3.114 -0.887 1.00 0.00 N ATOM 597 CA ILE A 40 9.713 1.713 -1.243 1.00 0.00 C ATOM 598 C ILE A 40 9.353 1.623 -2.730 1.00 0.00 C ATOM 599 O ILE A 40 8.237 1.298 -3.088 1.00 0.00 O ATOM 600 CB ILE A 40 8.506 1.375 -0.357 1.00 0.00 C ATOM 601 CG1 ILE A 40 8.944 1.413 1.112 1.00 0.00 C ATOM 602 CG2 ILE A 40 7.980 -0.029 -0.701 1.00 0.00 C ATOM 603 CD1 ILE A 40 7.742 1.164 2.029 1.00 0.00 C ATOM 0 H ILE A 40 9.305 3.734 -0.682 1.00 0.00 H new ATOM 0 HA ILE A 40 10.532 1.012 -1.079 1.00 0.00 H new ATOM 0 HB ILE A 40 7.712 2.102 -0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.709 0.658 1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.391 2.380 1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.124 -0.262 -0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.676 -0.057 -1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.767 -0.764 -0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.066 1.193 3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.990 1.935 1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.314 0.186 1.810 1.00 0.00 H new ATOM 615 N ASP A 41 10.298 1.895 -3.594 1.00 0.00 N ATOM 616 CA ASP A 41 10.026 1.810 -5.059 1.00 0.00 C ATOM 617 C ASP A 41 10.187 0.359 -5.520 1.00 0.00 C ATOM 618 O ASP A 41 10.996 0.052 -6.375 1.00 0.00 O ATOM 619 CB ASP A 41 11.079 2.708 -5.713 1.00 0.00 C ATOM 620 CG ASP A 41 10.445 3.482 -6.870 1.00 0.00 C ATOM 621 OD1 ASP A 41 9.689 2.882 -7.615 1.00 0.00 O ATOM 622 OD2 ASP A 41 10.728 4.663 -6.993 1.00 0.00 O ATOM 0 H ASP A 41 11.248 2.173 -3.346 1.00 0.00 H new ATOM 0 HA ASP A 41 9.016 2.125 -5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.487 3.402 -4.978 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.910 2.105 -6.078 1.00 0.00 H new ATOM 627 N GLY A 42 9.427 -0.535 -4.941 1.00 0.00 N ATOM 628 CA GLY A 42 9.527 -1.974 -5.314 1.00 0.00 C ATOM 629 C GLY A 42 8.611 -2.275 -6.498 1.00 0.00 C ATOM 630 O GLY A 42 8.517 -1.509 -7.438 1.00 0.00 O ATOM 0 H GLY A 42 8.736 -0.326 -4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.557 -2.220 -5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.252 -2.598 -4.464 1.00 0.00 H new ATOM 634 N GLU A 43 7.926 -3.385 -6.441 1.00 0.00 N ATOM 635 CA GLU A 43 6.995 -3.759 -7.532 1.00 0.00 C ATOM 636 C GLU A 43 5.586 -3.871 -6.961 1.00 0.00 C ATOM 637 O GLU A 43 5.236 -4.837 -6.309 1.00 0.00 O ATOM 638 CB GLU A 43 7.494 -5.105 -8.078 1.00 0.00 C ATOM 639 CG GLU A 43 7.552 -6.157 -6.957 1.00 0.00 C ATOM 640 CD GLU A 43 8.979 -6.695 -6.819 1.00 0.00 C ATOM 641 OE1 GLU A 43 9.341 -7.564 -7.595 1.00 0.00 O ATOM 642 OE2 GLU A 43 9.685 -6.228 -5.941 1.00 0.00 O ATOM 0 H GLU A 43 7.976 -4.054 -5.673 1.00 0.00 H new ATOM 0 HA GLU A 43 6.965 -3.020 -8.332 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.832 -5.449 -8.873 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.483 -4.980 -8.519 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.228 -5.715 -6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.866 -6.975 -7.178 1.00 0.00 H new ATOM 649 N TRP A 44 4.793 -2.861 -7.170 1.00 0.00 N ATOM 650 CA TRP A 44 3.418 -2.854 -6.612 1.00 0.00 C ATOM 651 C TRP A 44 2.508 -3.869 -7.292 1.00 0.00 C ATOM 652 O TRP A 44 2.554 -4.079 -8.488 1.00 0.00 O ATOM 653 CB TRP A 44 2.903 -1.437 -6.832 1.00 0.00 C ATOM 654 CG TRP A 44 3.598 -0.535 -5.873 1.00 0.00 C ATOM 655 CD1 TRP A 44 4.882 -0.121 -5.986 1.00 0.00 C ATOM 656 CD2 TRP A 44 3.081 0.055 -4.649 1.00 0.00 C ATOM 657 NE1 TRP A 44 5.183 0.689 -4.908 1.00 0.00 N ATOM 658 CE2 TRP A 44 4.104 0.828 -4.057 1.00 0.00 C ATOM 659 CE3 TRP A 44 1.833 -0.003 -4.003 1.00 0.00 C ATOM 660 CZ2 TRP A 44 3.899 1.516 -2.865 1.00 0.00 C ATOM 661 CZ3 TRP A 44 1.623 0.692 -2.802 1.00 0.00 C ATOM 662 CH2 TRP A 44 2.655 1.449 -2.233 1.00 0.00 C ATOM 0 H TRP A 44 5.043 -2.032 -7.709 1.00 0.00 H new ATOM 0 HA TRP A 44 3.428 -3.136 -5.559 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.091 -1.119 -7.857 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.825 -1.396 -6.679 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.559 -0.381 -6.786 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.091 1.130 -4.759 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.032 -0.586 -4.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.698 2.099 -2.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.661 0.643 -2.314 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.489 1.980 -1.307 1.00 0.00 H new ATOM 673 N THR A 45 1.660 -4.471 -6.512 1.00 0.00 N ATOM 674 CA THR A 45 0.689 -5.462 -7.040 1.00 0.00 C ATOM 675 C THR A 45 -0.558 -5.410 -6.163 1.00 0.00 C ATOM 676 O THR A 45 -0.471 -5.412 -4.949 1.00 0.00 O ATOM 677 CB THR A 45 1.372 -6.825 -6.935 1.00 0.00 C ATOM 678 OG1 THR A 45 2.127 -6.890 -5.734 1.00 0.00 O ATOM 679 CG2 THR A 45 2.298 -7.030 -8.134 1.00 0.00 C ATOM 0 H THR A 45 1.598 -4.313 -5.506 1.00 0.00 H new ATOM 0 HA THR A 45 0.396 -5.266 -8.071 1.00 0.00 H new ATOM 0 HB THR A 45 0.613 -7.608 -6.927 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.563 -7.765 -5.668 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.784 -8.003 -8.056 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.716 -6.987 -9.055 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.055 -6.246 -8.147 1.00 0.00 H new ATOM 687 N TYR A 46 -1.708 -5.335 -6.764 1.00 0.00 N ATOM 688 CA TYR A 46 -2.966 -5.246 -5.968 1.00 0.00 C ATOM 689 C TYR A 46 -3.722 -6.583 -6.021 1.00 0.00 C ATOM 690 O TYR A 46 -3.876 -7.180 -7.069 1.00 0.00 O ATOM 691 CB TYR A 46 -3.748 -4.106 -6.650 1.00 0.00 C ATOM 692 CG TYR A 46 -5.205 -4.094 -6.229 1.00 0.00 C ATOM 693 CD1 TYR A 46 -6.141 -4.846 -6.949 1.00 0.00 C ATOM 694 CD2 TYR A 46 -5.620 -3.323 -5.136 1.00 0.00 C ATOM 695 CE1 TYR A 46 -7.489 -4.830 -6.577 1.00 0.00 C ATOM 696 CE2 TYR A 46 -6.968 -3.305 -4.765 1.00 0.00 C ATOM 697 CZ TYR A 46 -7.903 -4.059 -5.486 1.00 0.00 C ATOM 698 OH TYR A 46 -9.234 -4.040 -5.124 1.00 0.00 O ATOM 0 H TYR A 46 -1.835 -5.331 -7.776 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.803 -5.047 -4.909 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.289 -3.150 -6.400 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.683 -4.217 -7.732 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.822 -5.439 -7.793 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.899 -2.742 -4.580 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.210 -5.412 -7.132 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.288 -2.710 -3.923 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.617 -4.935 -5.238 1.00 0.00 H new ATOM 708 N ASP A 47 -4.198 -7.043 -4.892 1.00 0.00 N ATOM 709 CA ASP A 47 -4.953 -8.330 -4.858 1.00 0.00 C ATOM 710 C ASP A 47 -6.446 -8.052 -4.657 1.00 0.00 C ATOM 711 O ASP A 47 -6.868 -7.618 -3.600 1.00 0.00 O ATOM 712 CB ASP A 47 -4.382 -9.095 -3.663 1.00 0.00 C ATOM 713 CG ASP A 47 -3.134 -9.864 -4.099 1.00 0.00 C ATOM 714 OD1 ASP A 47 -2.348 -9.304 -4.846 1.00 0.00 O ATOM 715 OD2 ASP A 47 -2.985 -11.000 -3.679 1.00 0.00 O ATOM 0 H ASP A 47 -4.095 -6.580 -3.989 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.854 -8.896 -5.784 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.133 -8.402 -2.859 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.128 -9.785 -3.269 1.00 0.00 H new ATOM 720 N ASP A 48 -7.242 -8.292 -5.667 1.00 0.00 N ATOM 721 CA ASP A 48 -8.711 -8.039 -5.551 1.00 0.00 C ATOM 722 C ASP A 48 -9.350 -9.013 -4.552 1.00 0.00 C ATOM 723 O ASP A 48 -10.387 -8.733 -3.980 1.00 0.00 O ATOM 724 CB ASP A 48 -9.270 -8.261 -6.962 1.00 0.00 C ATOM 725 CG ASP A 48 -8.978 -9.693 -7.423 1.00 0.00 C ATOM 726 OD1 ASP A 48 -9.640 -10.597 -6.939 1.00 0.00 O ATOM 727 OD2 ASP A 48 -8.098 -9.860 -8.251 1.00 0.00 O ATOM 0 H ASP A 48 -6.937 -8.654 -6.571 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.924 -7.035 -5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.345 -8.080 -6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.823 -7.549 -7.655 1.00 0.00 H new ATOM 732 N ALA A 49 -8.743 -10.158 -4.343 1.00 0.00 N ATOM 733 CA ALA A 49 -9.312 -11.161 -3.388 1.00 0.00 C ATOM 734 C ALA A 49 -9.593 -10.519 -2.023 1.00 0.00 C ATOM 735 O ALA A 49 -10.573 -10.831 -1.373 1.00 0.00 O ATOM 736 CB ALA A 49 -8.241 -12.246 -3.255 1.00 0.00 C ATOM 0 H ALA A 49 -7.874 -10.441 -4.795 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.260 -11.562 -3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.588 -13.018 -2.568 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.049 -12.689 -4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.322 -11.805 -2.870 1.00 0.00 H new ATOM 742 N THR A 50 -8.740 -9.626 -1.592 1.00 0.00 N ATOM 743 CA THR A 50 -8.953 -8.957 -0.272 1.00 0.00 C ATOM 744 C THR A 50 -8.459 -7.505 -0.310 1.00 0.00 C ATOM 745 O THR A 50 -8.261 -6.888 0.719 1.00 0.00 O ATOM 746 CB THR A 50 -8.128 -9.775 0.724 1.00 0.00 C ATOM 747 OG1 THR A 50 -6.765 -9.769 0.324 1.00 0.00 O ATOM 748 CG2 THR A 50 -8.644 -11.214 0.762 1.00 0.00 C ATOM 0 H THR A 50 -7.904 -9.330 -2.097 1.00 0.00 H new ATOM 0 HA THR A 50 -10.008 -8.920 -0.002 1.00 0.00 H new ATOM 0 HB THR A 50 -8.219 -9.335 1.717 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.351 -8.920 0.586 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.054 -11.793 1.472 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.689 -11.218 1.070 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.557 -11.658 -0.230 1.00 0.00 H new ATOM 756 N LYS A 51 -8.258 -6.948 -1.486 1.00 0.00 N ATOM 757 CA LYS A 51 -7.776 -5.529 -1.591 1.00 0.00 C ATOM 758 C LYS A 51 -6.531 -5.312 -0.719 1.00 0.00 C ATOM 759 O LYS A 51 -6.636 -5.017 0.457 1.00 0.00 O ATOM 760 CB LYS A 51 -8.945 -4.667 -1.086 1.00 0.00 C ATOM 761 CG LYS A 51 -9.482 -3.802 -2.230 1.00 0.00 C ATOM 762 CD LYS A 51 -10.705 -4.479 -2.855 1.00 0.00 C ATOM 763 CE LYS A 51 -11.861 -4.473 -1.852 1.00 0.00 C ATOM 764 NZ LYS A 51 -13.093 -4.416 -2.687 1.00 0.00 N ATOM 0 H LYS A 51 -8.408 -7.417 -2.379 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.491 -5.273 -2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.738 -5.305 -0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.613 -4.034 -0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.752 -2.814 -1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.708 -3.658 -2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.997 -3.956 -3.766 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.462 -5.503 -3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.848 -5.367 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.798 -3.616 -1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.930 -4.409 -2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.081 -3.551 -3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.129 -5.248 -3.310 1.00 0.00 H new ATOM 778 N THR A 52 -5.360 -5.463 -1.285 1.00 0.00 N ATOM 779 CA THR A 52 -4.115 -5.271 -0.483 1.00 0.00 C ATOM 780 C THR A 52 -2.933 -4.894 -1.383 1.00 0.00 C ATOM 781 O THR A 52 -2.363 -5.736 -2.053 1.00 0.00 O ATOM 782 CB THR A 52 -3.872 -6.630 0.182 1.00 0.00 C ATOM 783 OG1 THR A 52 -5.010 -6.985 0.955 1.00 0.00 O ATOM 784 CG2 THR A 52 -2.641 -6.555 1.090 1.00 0.00 C ATOM 0 H THR A 52 -5.213 -5.710 -2.264 1.00 0.00 H new ATOM 0 HA THR A 52 -4.216 -4.463 0.242 1.00 0.00 H new ATOM 0 HB THR A 52 -3.701 -7.382 -0.589 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.536 -6.182 1.151 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.475 -7.525 1.559 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.767 -6.284 0.497 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.803 -5.802 1.861 1.00 0.00 H new ATOM 792 N PHE A 53 -2.547 -3.639 -1.385 1.00 0.00 N ATOM 793 CA PHE A 53 -1.382 -3.212 -2.224 1.00 0.00 C ATOM 794 C PHE A 53 -0.126 -3.941 -1.742 1.00 0.00 C ATOM 795 O PHE A 53 0.134 -4.009 -0.554 1.00 0.00 O ATOM 796 CB PHE A 53 -1.239 -1.705 -1.994 1.00 0.00 C ATOM 797 CG PHE A 53 -2.387 -0.976 -2.641 1.00 0.00 C ATOM 798 CD1 PHE A 53 -3.563 -0.745 -1.920 1.00 0.00 C ATOM 799 CD2 PHE A 53 -2.273 -0.526 -3.960 1.00 0.00 C ATOM 800 CE1 PHE A 53 -4.629 -0.064 -2.519 1.00 0.00 C ATOM 801 CE2 PHE A 53 -3.338 0.156 -4.561 1.00 0.00 C ATOM 802 CZ PHE A 53 -4.517 0.387 -3.841 1.00 0.00 C ATOM 0 H PHE A 53 -2.987 -2.895 -0.844 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.523 -3.441 -3.280 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.218 -1.492 -0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.294 -1.353 -2.408 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.649 -1.092 -0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.364 -0.704 -4.515 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.537 0.114 -1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.250 0.504 -5.580 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.339 0.912 -4.304 1.00 0.00 H new ATOM 812 N THR A 54 0.637 -4.511 -2.639 1.00 0.00 N ATOM 813 CA THR A 54 1.858 -5.258 -2.198 1.00 0.00 C ATOM 814 C THR A 54 3.130 -4.784 -2.923 1.00 0.00 C ATOM 815 O THR A 54 3.360 -5.127 -4.068 1.00 0.00 O ATOM 816 CB THR A 54 1.555 -6.718 -2.551 1.00 0.00 C ATOM 817 OG1 THR A 54 0.352 -7.115 -1.908 1.00 0.00 O ATOM 818 CG2 THR A 54 2.702 -7.622 -2.089 1.00 0.00 C ATOM 0 H THR A 54 0.473 -4.494 -3.646 1.00 0.00 H new ATOM 0 HA THR A 54 2.056 -5.102 -1.138 1.00 0.00 H new ATOM 0 HB THR A 54 1.446 -6.809 -3.632 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.154 -8.048 -2.132 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.475 -8.657 -2.345 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.625 -7.320 -2.583 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.823 -7.534 -1.009 1.00 0.00 H new ATOM 826 N VAL A 55 3.979 -4.034 -2.248 1.00 0.00 N ATOM 827 CA VAL A 55 5.251 -3.587 -2.877 1.00 0.00 C ATOM 828 C VAL A 55 6.425 -4.364 -2.264 1.00 0.00 C ATOM 829 O VAL A 55 6.285 -5.014 -1.244 1.00 0.00 O ATOM 830 CB VAL A 55 5.387 -2.074 -2.611 1.00 0.00 C ATOM 831 CG1 VAL A 55 5.622 -1.800 -1.127 1.00 0.00 C ATOM 832 CG2 VAL A 55 6.576 -1.534 -3.410 1.00 0.00 C ATOM 0 H VAL A 55 3.837 -3.717 -1.289 1.00 0.00 H new ATOM 0 HA VAL A 55 5.253 -3.775 -3.951 1.00 0.00 H new ATOM 0 HB VAL A 55 4.463 -1.582 -2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.715 -0.726 -0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.781 -2.183 -0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.538 -2.295 -0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.681 -0.464 -3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.486 -2.046 -3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.409 -1.707 -4.473 1.00 0.00 H new ATOM 842 N THR A 56 7.573 -4.297 -2.882 1.00 0.00 N ATOM 843 CA THR A 56 8.764 -5.030 -2.361 1.00 0.00 C ATOM 844 C THR A 56 10.048 -4.457 -2.978 1.00 0.00 C ATOM 845 O THR A 56 10.251 -4.529 -4.176 1.00 0.00 O ATOM 846 CB THR A 56 8.547 -6.472 -2.829 1.00 0.00 C ATOM 847 OG1 THR A 56 7.363 -6.990 -2.242 1.00 0.00 O ATOM 848 CG2 THR A 56 9.738 -7.352 -2.429 1.00 0.00 C ATOM 0 H THR A 56 7.739 -3.761 -3.734 1.00 0.00 H new ATOM 0 HA THR A 56 8.870 -4.951 -1.279 1.00 0.00 H new ATOM 0 HB THR A 56 8.454 -6.475 -3.915 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.070 -6.397 -1.519 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.567 -8.373 -2.770 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.647 -6.964 -2.888 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.848 -7.345 -1.345 1.00 0.00 H new ATOM 856 N GLU A 57 10.918 -3.903 -2.170 1.00 0.00 N ATOM 857 CA GLU A 57 12.192 -3.339 -2.713 1.00 0.00 C ATOM 858 C GLU A 57 13.237 -4.447 -2.862 1.00 0.00 C ATOM 859 O GLU A 57 13.785 -4.857 -1.853 1.00 0.00 O ATOM 860 CB GLU A 57 12.650 -2.310 -1.680 1.00 0.00 C ATOM 861 CG GLU A 57 12.121 -0.927 -2.066 1.00 0.00 C ATOM 862 CD GLU A 57 13.160 0.138 -1.706 1.00 0.00 C ATOM 863 OE1 GLU A 57 13.373 0.354 -0.524 1.00 0.00 O ATOM 864 OE2 GLU A 57 13.724 0.719 -2.618 1.00 0.00 O ATOM 865 OXT GLU A 57 13.471 -4.866 -3.984 1.00 0.00 O ATOM 0 H GLU A 57 10.801 -3.817 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 57 12.055 -2.892 -3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.287 -2.586 -0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.739 -2.293 -1.627 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.906 -0.894 -3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.184 -0.726 -1.546 1.00 0.00 H new