USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 639 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 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.841 K(o=-0.84,f=-2.3!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.83! USER MOD Single : A 23 LYS NZ :NH3+ 165:sc= -0.0609 (180deg=-0.279) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.48! USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0466 USER MOD Single : A 44 CYS SG : rot 140:sc= -3.92! USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0.0922 K(o=0.092,f=-2.6!) USER MOD Single : A 48 CYS SG : rot -5:sc= 0.0535 USER MOD Single : A 51 THR OG1 : rot -14:sc= 0.195 USER MOD Single : A 55 MET CE :methyl -156:sc= 0 (180deg=-0.724) USER MOD Single : A 56 SER OG : rot 180:sc= -0.189 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.0142 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0869 USER MOD Single : A 79 LYS NZ :NH3+ -169:sc= -0.0213 (180deg=-0.188) USER MOD Single : A 80 SER OG : rot 180:sc= -0.0382 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 35:sc= -5.61! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -169:sc= -0.0045 (180deg=-0.175) USER MOD ----------------------------------------------------------------- ATOM 62 N GLN A 6 -16.484 5.509 -2.296 1.00 0.00 N ATOM 63 CA GLN A 6 -15.376 6.427 -2.066 1.00 0.00 C ATOM 64 C GLN A 6 -14.038 5.690 -2.146 1.00 0.00 C ATOM 65 O GLN A 6 -13.839 4.682 -1.468 1.00 0.00 O ATOM 66 CB GLN A 6 -15.516 7.094 -0.695 1.00 0.00 C ATOM 67 CG GLN A 6 -16.840 7.815 -0.497 1.00 0.00 C ATOM 68 CD GLN A 6 -16.960 8.441 0.879 1.00 0.00 C ATOM 69 OE1 GLN A 6 -16.191 9.333 1.237 1.00 0.00 O ATOM 70 NE2 GLN A 6 -17.925 7.970 1.662 1.00 0.00 N ATOM 0 HA GLN A 6 -15.402 7.192 -2.842 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.406 6.336 0.081 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.702 7.806 -0.563 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.945 8.590 -1.256 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -17.659 7.111 -0.645 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -18.540 7.230 1.324 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -18.051 8.349 2.601 1.00 0.00 H new ATOM 79 N PRO A 7 -13.099 6.183 -2.974 1.00 0.00 N ATOM 80 CA PRO A 7 -11.779 5.559 -3.130 1.00 0.00 C ATOM 81 C PRO A 7 -10.992 5.541 -1.821 1.00 0.00 C ATOM 82 O PRO A 7 -10.967 6.535 -1.094 1.00 0.00 O ATOM 83 CB PRO A 7 -11.072 6.452 -4.160 1.00 0.00 C ATOM 84 CG PRO A 7 -12.165 7.194 -4.849 1.00 0.00 C ATOM 85 CD PRO A 7 -13.245 7.378 -3.822 1.00 0.00 C ATOM 0 HA PRO A 7 -11.859 4.516 -3.437 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.376 7.137 -3.676 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.494 5.857 -4.867 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.811 8.156 -5.221 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.534 6.636 -5.709 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.108 8.297 -3.252 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.233 7.431 -4.279 1.00 0.00 H new ATOM 93 N PRO A 8 -10.336 4.409 -1.499 1.00 0.00 N ATOM 94 CA PRO A 8 -9.546 4.278 -0.268 1.00 0.00 C ATOM 95 C PRO A 8 -8.509 5.386 -0.132 1.00 0.00 C ATOM 96 O PRO A 8 -7.801 5.709 -1.087 1.00 0.00 O ATOM 97 CB PRO A 8 -8.859 2.919 -0.426 1.00 0.00 C ATOM 98 CG PRO A 8 -9.733 2.157 -1.360 1.00 0.00 C ATOM 99 CD PRO A 8 -10.309 3.174 -2.305 1.00 0.00 C ATOM 0 HA PRO A 8 -10.166 4.353 0.625 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.852 3.029 -0.828 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.765 2.409 0.533 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.163 1.401 -1.900 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.522 1.635 -0.819 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.693 3.289 -3.197 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.307 2.891 -2.641 1.00 0.00 H new ATOM 107 N LEU A 9 -8.425 5.970 1.060 1.00 0.00 N ATOM 108 CA LEU A 9 -7.478 7.046 1.319 1.00 0.00 C ATOM 109 C LEU A 9 -6.510 6.650 2.431 1.00 0.00 C ATOM 110 O LEU A 9 -6.925 6.186 3.492 1.00 0.00 O ATOM 111 CB LEU A 9 -8.236 8.324 1.702 1.00 0.00 C ATOM 112 CG LEU A 9 -7.449 9.638 1.580 1.00 0.00 C ATOM 113 CD1 LEU A 9 -6.261 9.660 2.525 1.00 0.00 C ATOM 114 CD2 LEU A 9 -6.995 9.858 0.143 1.00 0.00 C ATOM 0 H LEU A 9 -9.002 5.715 1.861 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.901 7.233 0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.125 8.397 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.579 8.224 2.732 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.115 10.453 1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.725 10.603 2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.611 9.560 3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.592 8.833 2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.439 10.793 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.354 9.032 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.866 9.906 -0.510 1.00 0.00 H new ATOM 126 N VAL A 10 -5.217 6.833 2.178 1.00 0.00 N ATOM 127 CA VAL A 10 -4.192 6.491 3.156 1.00 0.00 C ATOM 128 C VAL A 10 -3.664 7.729 3.879 1.00 0.00 C ATOM 129 O VAL A 10 -3.418 8.765 3.258 1.00 0.00 O ATOM 130 CB VAL A 10 -3.015 5.748 2.493 1.00 0.00 C ATOM 131 CG1 VAL A 10 -1.937 5.421 3.514 1.00 0.00 C ATOM 132 CG2 VAL A 10 -3.506 4.486 1.803 1.00 0.00 C ATOM 0 H VAL A 10 -4.856 7.216 1.304 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.665 5.835 3.887 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.576 6.403 1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.117 4.897 3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.564 6.344 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.356 4.787 4.295 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.663 3.973 1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.973 3.828 2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.235 4.750 1.037 1.00 0.00 H new ATOM 142 N THR A 11 -3.491 7.609 5.196 1.00 0.00 N ATOM 143 CA THR A 11 -2.992 8.711 6.018 1.00 0.00 C ATOM 144 C THR A 11 -2.240 8.191 7.241 1.00 0.00 C ATOM 145 O THR A 11 -2.484 8.634 8.364 1.00 0.00 O ATOM 146 CB THR A 11 -4.137 9.621 6.506 1.00 0.00 C ATOM 147 OG1 THR A 11 -5.139 8.835 7.162 1.00 0.00 O ATOM 148 CG2 THR A 11 -4.763 10.391 5.355 1.00 0.00 C ATOM 0 H THR A 11 -3.690 6.755 5.718 1.00 0.00 H new ATOM 0 HA THR A 11 -2.317 9.286 5.384 1.00 0.00 H new ATOM 0 HB THR A 11 -3.717 10.341 7.208 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.863 9.419 7.471 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.566 11.023 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.006 11.014 4.879 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.167 9.690 4.625 1.00 0.00 H new ATOM 156 N GLY A 12 -1.327 7.247 7.024 1.00 0.00 N ATOM 157 CA GLY A 12 -0.568 6.694 8.132 1.00 0.00 C ATOM 158 C GLY A 12 0.439 5.647 7.697 1.00 0.00 C ATOM 159 O GLY A 12 0.188 4.876 6.772 1.00 0.00 O ATOM 0 H GLY A 12 -1.101 6.858 6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.046 7.501 8.646 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.257 6.251 8.852 1.00 0.00 H new ATOM 163 N ILE A 13 1.582 5.618 8.378 1.00 0.00 N ATOM 164 CA ILE A 13 2.636 4.659 8.074 1.00 0.00 C ATOM 165 C ILE A 13 3.649 4.591 9.213 1.00 0.00 C ATOM 166 O ILE A 13 4.139 5.619 9.683 1.00 0.00 O ATOM 167 CB ILE A 13 3.366 5.014 6.760 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.425 3.957 6.434 1.00 0.00 C ATOM 169 CG2 ILE A 13 3.998 6.398 6.856 1.00 0.00 C ATOM 170 CD1 ILE A 13 5.050 4.129 5.066 1.00 0.00 C ATOM 0 H ILE A 13 1.801 6.251 9.147 1.00 0.00 H new ATOM 0 HA ILE A 13 2.159 3.686 7.954 1.00 0.00 H new ATOM 0 HB ILE A 13 2.635 5.028 5.951 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.209 3.995 7.190 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.971 2.968 6.495 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.508 6.631 5.921 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.222 7.140 7.041 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.717 6.414 7.675 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.790 3.346 4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.276 4.061 4.301 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.534 5.104 5.007 1.00 0.00 H new ATOM 182 N SER A 14 3.959 3.377 9.660 1.00 0.00 N ATOM 183 CA SER A 14 4.912 3.199 10.746 1.00 0.00 C ATOM 184 C SER A 14 6.319 3.609 10.303 1.00 0.00 C ATOM 185 O SER A 14 6.909 4.516 10.890 1.00 0.00 O ATOM 186 CB SER A 14 4.896 1.753 11.255 1.00 0.00 C ATOM 187 OG SER A 14 5.815 1.576 12.320 1.00 0.00 O ATOM 0 H SER A 14 3.567 2.511 9.290 1.00 0.00 H new ATOM 0 HA SER A 14 4.614 3.847 11.570 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.892 1.493 11.590 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.145 1.074 10.439 1.00 0.00 H new ATOM 0 HG SER A 14 5.784 0.646 12.628 1.00 0.00 H new ATOM 193 N PRO A 15 6.885 2.965 9.256 1.00 0.00 N ATOM 194 CA PRO A 15 8.213 3.304 8.767 1.00 0.00 C ATOM 195 C PRO A 15 8.179 4.387 7.697 1.00 0.00 C ATOM 196 O PRO A 15 7.494 4.251 6.686 1.00 0.00 O ATOM 197 CB PRO A 15 8.698 1.986 8.181 1.00 0.00 C ATOM 198 CG PRO A 15 7.461 1.309 7.682 1.00 0.00 C ATOM 199 CD PRO A 15 6.292 1.870 8.463 1.00 0.00 C ATOM 0 HA PRO A 15 8.855 3.708 9.550 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.411 2.151 7.373 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.203 1.381 8.934 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.330 1.487 6.615 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.532 0.230 7.819 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.508 2.236 7.800 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.840 1.113 9.104 1.00 0.00 H new ATOM 207 N ASN A 16 8.926 5.459 7.922 1.00 0.00 N ATOM 208 CA ASN A 16 8.983 6.563 6.973 1.00 0.00 C ATOM 209 C ASN A 16 10.038 6.297 5.901 1.00 0.00 C ATOM 210 O ASN A 16 10.019 6.909 4.832 1.00 0.00 O ATOM 211 CB ASN A 16 9.268 7.876 7.707 1.00 0.00 C ATOM 212 CG ASN A 16 9.282 9.079 6.783 1.00 0.00 C ATOM 213 OD1 ASN A 16 10.133 9.196 5.902 1.00 0.00 O ATOM 214 ND2 ASN A 16 8.332 9.987 6.981 1.00 0.00 N ATOM 0 H ASN A 16 9.502 5.588 8.754 1.00 0.00 H new ATOM 0 HA ASN A 16 8.016 6.649 6.478 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.513 8.026 8.479 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.231 7.802 8.213 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.290 10.818 6.391 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.645 9.853 7.723 1.00 0.00 H new ATOM 221 N GLU A 17 10.955 5.376 6.192 1.00 0.00 N ATOM 222 CA GLU A 17 12.017 5.029 5.250 1.00 0.00 C ATOM 223 C GLU A 17 12.553 3.625 5.514 1.00 0.00 C ATOM 224 O GLU A 17 12.738 3.224 6.664 1.00 0.00 O ATOM 225 CB GLU A 17 13.155 6.047 5.332 1.00 0.00 C ATOM 226 CG GLU A 17 13.747 6.190 6.725 1.00 0.00 C ATOM 227 CD GLU A 17 14.864 7.213 6.782 1.00 0.00 C ATOM 228 OE1 GLU A 17 14.606 8.392 6.456 1.00 0.00 O ATOM 229 OE2 GLU A 17 15.995 6.839 7.156 1.00 0.00 O ATOM 0 H GLU A 17 10.984 4.858 7.070 1.00 0.00 H new ATOM 0 HA GLU A 17 11.592 5.049 4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.944 5.753 4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.787 7.018 5.002 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.960 6.478 7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.128 5.223 7.055 1.00 0.00 H new ATOM 236 N GLY A 18 12.793 2.883 4.437 1.00 0.00 N ATOM 237 CA GLY A 18 13.299 1.527 4.559 1.00 0.00 C ATOM 238 C GLY A 18 13.407 0.822 3.217 1.00 0.00 C ATOM 239 O GLY A 18 12.621 1.090 2.308 1.00 0.00 O ATOM 0 H GLY A 18 12.645 3.198 3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.280 1.550 5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.642 0.955 5.214 1.00 0.00 H new ATOM 243 N ILE A 19 14.383 -0.078 3.094 1.00 0.00 N ATOM 244 CA ILE A 19 14.594 -0.822 1.853 1.00 0.00 C ATOM 245 C ILE A 19 13.296 -1.483 1.380 1.00 0.00 C ATOM 246 O ILE A 19 12.377 -1.695 2.171 1.00 0.00 O ATOM 247 CB ILE A 19 15.692 -1.897 2.011 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.283 -2.941 3.055 1.00 0.00 C ATOM 249 CG2 ILE A 19 17.014 -1.244 2.393 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.273 -4.076 3.201 1.00 0.00 C ATOM 0 H ILE A 19 15.040 -0.309 3.839 1.00 0.00 H new ATOM 0 HA ILE A 19 14.922 -0.101 1.104 1.00 0.00 H new ATOM 0 HB ILE A 19 15.818 -2.407 1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.163 -2.449 4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.310 -3.352 2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.781 -2.011 2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.311 -0.542 1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 19 16.897 -0.711 3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.916 -4.775 3.957 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.376 -4.594 2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.241 -3.677 3.503 1.00 0.00 H new ATOM 262 N PRO A 20 13.195 -1.797 0.073 1.00 0.00 N ATOM 263 CA PRO A 20 11.995 -2.415 -0.504 1.00 0.00 C ATOM 264 C PRO A 20 11.476 -3.604 0.304 1.00 0.00 C ATOM 265 O PRO A 20 10.269 -3.807 0.416 1.00 0.00 O ATOM 266 CB PRO A 20 12.470 -2.876 -1.881 1.00 0.00 C ATOM 267 CG PRO A 20 13.548 -1.916 -2.242 1.00 0.00 C ATOM 268 CD PRO A 20 14.234 -1.558 -0.950 1.00 0.00 C ATOM 0 HA PRO A 20 11.159 -1.716 -0.526 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.844 -3.900 -1.850 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.659 -2.854 -2.609 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.250 -2.364 -2.945 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.136 -1.029 -2.724 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.115 -2.177 -0.779 1.00 0.00 H new ATOM 0 HD3 PRO A 20 14.568 -0.520 -0.947 1.00 0.00 H new ATOM 276 N TRP A 21 12.384 -4.400 0.851 1.00 0.00 N ATOM 277 CA TRP A 21 11.989 -5.572 1.627 1.00 0.00 C ATOM 278 C TRP A 21 11.502 -5.204 3.028 1.00 0.00 C ATOM 279 O TRP A 21 10.772 -5.974 3.652 1.00 0.00 O ATOM 280 CB TRP A 21 13.136 -6.579 1.713 1.00 0.00 C ATOM 281 CG TRP A 21 13.534 -7.134 0.380 1.00 0.00 C ATOM 282 CD1 TRP A 21 14.513 -6.662 -0.447 1.00 0.00 C ATOM 283 CD2 TRP A 21 12.940 -8.249 -0.294 1.00 0.00 C ATOM 284 NE1 TRP A 21 14.577 -7.430 -1.585 1.00 0.00 N ATOM 285 CE2 TRP A 21 13.619 -8.408 -1.516 1.00 0.00 C ATOM 286 CE3 TRP A 21 11.904 -9.134 0.022 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.295 -9.414 -2.423 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.581 -10.131 -0.880 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.275 -10.265 -2.090 1.00 0.00 C ATOM 0 H TRP A 21 13.391 -4.260 0.774 1.00 0.00 H new ATOM 0 HA TRP A 21 11.152 -6.031 1.101 1.00 0.00 H new ATOM 0 HB2 TRP A 21 14.000 -6.098 2.172 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.843 -7.399 2.368 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.144 -5.811 -0.238 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.231 -7.294 -2.356 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.366 -9.040 0.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.829 -9.519 -3.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.781 -10.818 -0.648 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.000 -11.055 -2.773 1.00 0.00 H new ATOM 300 N THR A 22 11.907 -4.038 3.524 1.00 0.00 N ATOM 301 CA THR A 22 11.498 -3.598 4.857 1.00 0.00 C ATOM 302 C THR A 22 9.983 -3.670 5.018 1.00 0.00 C ATOM 303 O THR A 22 9.236 -3.187 4.169 1.00 0.00 O ATOM 304 CB THR A 22 11.964 -2.158 5.150 1.00 0.00 C ATOM 305 OG1 THR A 22 13.394 -2.090 5.116 1.00 0.00 O ATOM 306 CG2 THR A 22 11.465 -1.686 6.508 1.00 0.00 C ATOM 0 H THR A 22 12.513 -3.384 3.028 1.00 0.00 H new ATOM 0 HA THR A 22 11.973 -4.274 5.568 1.00 0.00 H new ATOM 0 HB THR A 22 11.547 -1.506 4.382 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.682 -1.172 5.301 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.809 -0.667 6.688 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.375 -1.709 6.523 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.853 -2.343 7.287 1.00 0.00 H new ATOM 314 N LYS A 23 9.536 -4.278 6.112 1.00 0.00 N ATOM 315 CA LYS A 23 8.110 -4.411 6.379 1.00 0.00 C ATOM 316 C LYS A 23 7.468 -3.047 6.603 1.00 0.00 C ATOM 317 O LYS A 23 8.042 -2.180 7.262 1.00 0.00 O ATOM 318 CB LYS A 23 7.874 -5.305 7.598 1.00 0.00 C ATOM 319 CG LYS A 23 6.402 -5.550 7.895 1.00 0.00 C ATOM 320 CD LYS A 23 6.212 -6.431 9.121 1.00 0.00 C ATOM 321 CE LYS A 23 6.748 -5.766 10.380 1.00 0.00 C ATOM 322 NZ LYS A 23 6.078 -4.463 10.650 1.00 0.00 N ATOM 0 H LYS A 23 10.140 -4.685 6.826 1.00 0.00 H new ATOM 0 HA LYS A 23 7.647 -4.872 5.506 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.368 -6.263 7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.341 -4.848 8.470 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.899 -4.596 8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.931 -6.021 7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.152 -6.653 9.249 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.720 -7.383 8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.604 -6.431 11.231 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.822 -5.608 10.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.277 -4.166 11.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.438 -3.744 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.051 -4.568 10.522 1.00 0.00 H new ATOM 336 N VAL A 24 6.272 -2.863 6.049 1.00 0.00 N ATOM 337 CA VAL A 24 5.548 -1.604 6.189 1.00 0.00 C ATOM 338 C VAL A 24 4.053 -1.855 6.374 1.00 0.00 C ATOM 339 O VAL A 24 3.421 -2.540 5.568 1.00 0.00 O ATOM 340 CB VAL A 24 5.762 -0.694 4.960 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.234 -0.352 4.798 1.00 0.00 C ATOM 342 CG2 VAL A 24 5.226 -1.349 3.696 1.00 0.00 C ATOM 0 H VAL A 24 5.784 -3.570 5.499 1.00 0.00 H new ATOM 0 HA VAL A 24 5.942 -1.102 7.072 1.00 0.00 H new ATOM 0 HB VAL A 24 5.207 0.230 5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.365 0.290 3.927 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.587 0.169 5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.808 -1.269 4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.389 -0.687 2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.745 -2.292 3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.158 -1.538 3.809 1.00 0.00 H new ATOM 352 N THR A 25 3.494 -1.302 7.444 1.00 0.00 N ATOM 353 CA THR A 25 2.076 -1.469 7.733 1.00 0.00 C ATOM 354 C THR A 25 1.263 -0.316 7.156 1.00 0.00 C ATOM 355 O THR A 25 1.431 0.835 7.558 1.00 0.00 O ATOM 356 CB THR A 25 1.820 -1.560 9.250 1.00 0.00 C ATOM 357 OG1 THR A 25 2.561 -2.654 9.806 1.00 0.00 O ATOM 358 CG2 THR A 25 0.340 -1.747 9.543 1.00 0.00 C ATOM 0 H THR A 25 4.000 -0.735 8.124 1.00 0.00 H new ATOM 0 HA THR A 25 1.761 -2.402 7.265 1.00 0.00 H new ATOM 0 HB THR A 25 2.148 -0.626 9.706 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.395 -2.705 10.770 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.187 -1.808 10.621 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.220 -0.901 9.145 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.010 -2.666 9.074 1.00 0.00 H new ATOM 366 N ILE A 26 0.379 -0.632 6.216 1.00 0.00 N ATOM 367 CA ILE A 26 -0.461 0.382 5.594 1.00 0.00 C ATOM 368 C ILE A 26 -1.594 0.789 6.527 1.00 0.00 C ATOM 369 O ILE A 26 -2.205 -0.054 7.183 1.00 0.00 O ATOM 370 CB ILE A 26 -1.056 -0.109 4.260 1.00 0.00 C ATOM 371 CG1 ILE A 26 0.057 -0.569 3.316 1.00 0.00 C ATOM 372 CG2 ILE A 26 -1.879 0.998 3.612 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.451 -1.096 1.991 1.00 0.00 C ATOM 0 H ILE A 26 0.227 -1.579 5.870 1.00 0.00 H new ATOM 0 HA ILE A 26 0.176 1.243 5.394 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.710 -0.958 4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.733 0.266 3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.640 -1.348 3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.294 0.639 2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.691 1.286 4.280 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.242 1.861 3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.393 -1.403 1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.103 -1.952 2.166 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.009 -0.313 1.478 1.00 0.00 H new ATOM 385 N ARG A 27 -1.872 2.086 6.579 1.00 0.00 N ATOM 386 CA ARG A 27 -2.934 2.608 7.429 1.00 0.00 C ATOM 387 C ARG A 27 -3.690 3.718 6.709 1.00 0.00 C ATOM 388 O ARG A 27 -3.084 4.642 6.166 1.00 0.00 O ATOM 389 CB ARG A 27 -2.351 3.142 8.741 1.00 0.00 C ATOM 390 CG ARG A 27 -1.599 2.096 9.551 1.00 0.00 C ATOM 391 CD ARG A 27 -2.521 0.984 10.030 1.00 0.00 C ATOM 392 NE ARG A 27 -3.571 1.480 10.919 1.00 0.00 N ATOM 393 CZ ARG A 27 -3.336 2.047 12.101 1.00 0.00 C ATOM 394 NH1 ARG A 27 -2.092 2.184 12.543 1.00 0.00 N ATOM 395 NH2 ARG A 27 -4.348 2.473 12.845 1.00 0.00 N ATOM 0 H ARG A 27 -1.375 2.796 6.041 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.626 1.797 7.654 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.677 3.969 8.518 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.160 3.546 9.349 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.801 1.670 8.943 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.126 2.572 10.410 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.977 0.497 9.168 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.934 0.227 10.551 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.540 1.386 10.616 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.310 1.854 11.977 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.918 2.619 13.449 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.306 2.366 12.512 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.168 2.907 13.750 1.00 0.00 H new ATOM 409 N GLY A 28 -5.014 3.621 6.704 1.00 0.00 N ATOM 410 CA GLY A 28 -5.824 4.624 6.040 1.00 0.00 C ATOM 411 C GLY A 28 -7.297 4.486 6.357 1.00 0.00 C ATOM 412 O GLY A 28 -7.674 4.320 7.517 1.00 0.00 O ATOM 0 H GLY A 28 -5.540 2.868 7.147 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.484 5.616 6.338 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.679 4.547 4.962 1.00 0.00 H new ATOM 416 N GLU A 29 -8.134 4.558 5.325 1.00 0.00 N ATOM 417 CA GLU A 29 -9.577 4.446 5.500 1.00 0.00 C ATOM 418 C GLU A 29 -10.228 3.781 4.289 1.00 0.00 C ATOM 419 O GLU A 29 -9.962 4.154 3.146 1.00 0.00 O ATOM 420 CB GLU A 29 -10.194 5.833 5.712 1.00 0.00 C ATOM 421 CG GLU A 29 -9.618 6.600 6.893 1.00 0.00 C ATOM 422 CD GLU A 29 -9.918 5.945 8.229 1.00 0.00 C ATOM 423 OE1 GLU A 29 -10.617 4.909 8.244 1.00 0.00 O ATOM 424 OE2 GLU A 29 -9.458 6.472 9.264 1.00 0.00 O ATOM 0 H GLU A 29 -7.836 4.693 4.359 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.760 3.827 6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.052 6.423 4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.269 5.722 5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.538 6.686 6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.021 7.613 6.893 1.00 0.00 H new ATOM 431 N ASN A 30 -11.095 2.809 4.556 1.00 0.00 N ATOM 432 CA ASN A 30 -11.812 2.092 3.504 1.00 0.00 C ATOM 433 C ASN A 30 -10.865 1.427 2.505 1.00 0.00 C ATOM 434 O ASN A 30 -11.121 1.438 1.300 1.00 0.00 O ATOM 435 CB ASN A 30 -12.754 3.047 2.764 1.00 0.00 C ATOM 436 CG ASN A 30 -13.778 3.678 3.686 1.00 0.00 C ATOM 437 OD1 ASN A 30 -14.574 2.984 4.320 1.00 0.00 O ATOM 438 ND2 ASN A 30 -13.764 5.005 3.765 1.00 0.00 N ATOM 0 H ASN A 30 -11.320 2.497 5.501 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.388 1.303 3.988 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.169 3.832 2.285 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.269 2.504 1.971 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.430 5.487 4.369 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.087 5.541 3.222 1.00 0.00 H new ATOM 445 N LEU A 31 -9.785 0.830 3.002 1.00 0.00 N ATOM 446 CA LEU A 31 -8.832 0.147 2.129 1.00 0.00 C ATOM 447 C LEU A 31 -9.441 -1.130 1.562 1.00 0.00 C ATOM 448 O LEU A 31 -9.188 -1.491 0.414 1.00 0.00 O ATOM 449 CB LEU A 31 -7.530 -0.175 2.871 1.00 0.00 C ATOM 450 CG LEU A 31 -6.550 0.994 3.007 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.137 2.094 3.874 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.222 0.514 3.574 1.00 0.00 C ATOM 0 H LEU A 31 -9.548 0.804 3.994 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.597 0.821 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.779 -0.537 3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.027 -0.991 2.352 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.371 1.406 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.423 2.913 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.059 2.460 3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.351 1.699 4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.538 1.358 3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.384 0.073 4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.791 -0.233 2.908 1.00 0.00 H new ATOM 464 N GLY A 32 -10.246 -1.809 2.375 1.00 0.00 N ATOM 465 CA GLY A 32 -10.881 -3.038 1.932 1.00 0.00 C ATOM 466 C GLY A 32 -11.779 -3.644 2.993 1.00 0.00 C ATOM 467 O GLY A 32 -11.373 -3.799 4.145 1.00 0.00 O ATOM 0 H GLY A 32 -10.469 -1.531 3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.468 -2.837 1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.113 -3.760 1.655 1.00 0.00 H new ATOM 471 N THR A 33 -13.003 -3.991 2.601 1.00 0.00 N ATOM 472 CA THR A 33 -13.962 -4.588 3.524 1.00 0.00 C ATOM 473 C THR A 33 -13.488 -5.957 3.999 1.00 0.00 C ATOM 474 O THR A 33 -13.650 -6.308 5.167 1.00 0.00 O ATOM 475 CB THR A 33 -15.351 -4.733 2.878 1.00 0.00 C ATOM 476 OG1 THR A 33 -15.273 -5.586 1.731 1.00 0.00 O ATOM 477 CG2 THR A 33 -15.902 -3.374 2.469 1.00 0.00 C ATOM 0 H THR A 33 -13.353 -3.869 1.651 1.00 0.00 H new ATOM 0 HA THR A 33 -14.038 -3.916 4.379 1.00 0.00 H new ATOM 0 HB THR A 33 -16.024 -5.175 3.613 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.162 -5.674 1.327 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.885 -3.502 2.015 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.989 -2.737 3.349 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.227 -2.909 1.750 1.00 0.00 H new ATOM 485 N GLY A 34 -12.901 -6.725 3.086 1.00 0.00 N ATOM 486 CA GLY A 34 -12.412 -8.045 3.436 1.00 0.00 C ATOM 487 C GLY A 34 -11.459 -8.613 2.399 1.00 0.00 C ATOM 488 O GLY A 34 -10.903 -7.867 1.592 1.00 0.00 O ATOM 0 H GLY A 34 -12.756 -6.457 2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.906 -7.996 4.400 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.258 -8.722 3.554 1.00 0.00 H new ATOM 492 N PRO A 35 -11.244 -9.941 2.400 1.00 0.00 N ATOM 493 CA PRO A 35 -10.337 -10.599 1.451 1.00 0.00 C ATOM 494 C PRO A 35 -10.775 -10.421 0.000 1.00 0.00 C ATOM 495 O PRO A 35 -9.975 -10.051 -0.859 1.00 0.00 O ATOM 496 CB PRO A 35 -10.405 -12.080 1.846 1.00 0.00 C ATOM 497 CG PRO A 35 -10.939 -12.089 3.237 1.00 0.00 C ATOM 498 CD PRO A 35 -11.853 -10.903 3.334 1.00 0.00 C ATOM 0 HA PRO A 35 -9.334 -10.176 1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.054 -12.638 1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.421 -12.546 1.799 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.477 -13.014 3.443 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.131 -12.021 3.966 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -12.874 -11.155 3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.896 -10.508 4.349 1.00 0.00 H new ATOM 506 N THR A 36 -12.049 -10.693 -0.268 1.00 0.00 N ATOM 507 CA THR A 36 -12.592 -10.569 -1.616 1.00 0.00 C ATOM 508 C THR A 36 -12.528 -9.129 -2.115 1.00 0.00 C ATOM 509 O THR A 36 -12.250 -8.882 -3.289 1.00 0.00 O ATOM 510 CB THR A 36 -14.049 -11.059 -1.684 1.00 0.00 C ATOM 511 OG1 THR A 36 -14.866 -10.304 -0.781 1.00 0.00 O ATOM 512 CG2 THR A 36 -14.139 -12.539 -1.340 1.00 0.00 C ATOM 0 H THR A 36 -12.725 -11.001 0.431 1.00 0.00 H new ATOM 0 HA THR A 36 -11.974 -11.197 -2.258 1.00 0.00 H new ATOM 0 HB THR A 36 -14.408 -10.915 -2.703 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.791 -10.622 -0.833 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.178 -12.863 -1.395 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.542 -13.114 -2.048 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.761 -12.702 -0.331 1.00 0.00 H new ATOM 520 N ASP A 37 -12.795 -8.183 -1.220 1.00 0.00 N ATOM 521 CA ASP A 37 -12.777 -6.766 -1.569 1.00 0.00 C ATOM 522 C ASP A 37 -11.435 -6.364 -2.172 1.00 0.00 C ATOM 523 O ASP A 37 -11.381 -5.763 -3.245 1.00 0.00 O ATOM 524 CB ASP A 37 -13.067 -5.914 -0.332 1.00 0.00 C ATOM 525 CG ASP A 37 -13.142 -4.432 -0.646 1.00 0.00 C ATOM 526 OD1 ASP A 37 -12.123 -3.865 -1.092 1.00 0.00 O ATOM 527 OD2 ASP A 37 -14.223 -3.838 -0.446 1.00 0.00 O ATOM 0 H ASP A 37 -13.027 -8.373 -0.245 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.553 -6.594 -2.315 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.009 -6.235 0.112 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.289 -6.085 0.412 1.00 0.00 H new ATOM 532 N LEU A 38 -10.354 -6.697 -1.475 1.00 0.00 N ATOM 533 CA LEU A 38 -9.013 -6.368 -1.944 1.00 0.00 C ATOM 534 C LEU A 38 -8.656 -7.215 -3.163 1.00 0.00 C ATOM 535 O LEU A 38 -8.885 -8.425 -3.174 1.00 0.00 O ATOM 536 CB LEU A 38 -7.995 -6.595 -0.820 1.00 0.00 C ATOM 537 CG LEU A 38 -6.777 -5.665 -0.831 1.00 0.00 C ATOM 538 CD1 LEU A 38 -5.865 -5.972 0.346 1.00 0.00 C ATOM 539 CD2 LEU A 38 -6.009 -5.783 -2.138 1.00 0.00 C ATOM 0 H LEU A 38 -10.380 -7.194 -0.585 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.988 -5.318 -2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.506 -6.484 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.643 -7.625 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.136 -4.640 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.005 -5.303 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.412 -5.828 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.523 -7.005 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.150 -5.112 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.665 -6.809 -2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.661 -5.513 -2.969 1.00 0.00 H new ATOM 551 N ILE A 39 -8.100 -6.574 -4.188 1.00 0.00 N ATOM 552 CA ILE A 39 -7.719 -7.274 -5.413 1.00 0.00 C ATOM 553 C ILE A 39 -6.453 -6.676 -6.019 1.00 0.00 C ATOM 554 O ILE A 39 -5.608 -7.397 -6.551 1.00 0.00 O ATOM 555 CB ILE A 39 -8.843 -7.226 -6.470 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.202 -5.773 -6.799 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.068 -7.985 -5.981 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.193 -5.634 -7.935 1.00 0.00 C ATOM 0 H ILE A 39 -7.903 -5.573 -4.195 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.536 -8.311 -5.133 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.485 -7.707 -7.380 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.615 -5.299 -5.908 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.291 -5.232 -7.055 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.850 -7.940 -6.739 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.801 -9.025 -5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.431 -7.533 -5.058 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.399 -4.578 -8.111 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.775 -6.078 -8.839 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.119 -6.146 -7.674 1.00 0.00 H new ATOM 570 N GLY A 40 -6.333 -5.354 -5.946 1.00 0.00 N ATOM 571 CA GLY A 40 -5.172 -4.681 -6.498 1.00 0.00 C ATOM 572 C GLY A 40 -4.310 -4.031 -5.436 1.00 0.00 C ATOM 573 O GLY A 40 -4.821 -3.486 -4.456 1.00 0.00 O ATOM 0 H GLY A 40 -7.020 -4.736 -5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.572 -5.400 -7.056 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.501 -3.922 -7.207 1.00 0.00 H new ATOM 577 N LEU A 41 -2.997 -4.083 -5.633 1.00 0.00 N ATOM 578 CA LEU A 41 -2.053 -3.492 -4.692 1.00 0.00 C ATOM 579 C LEU A 41 -0.807 -3.024 -5.438 1.00 0.00 C ATOM 580 O LEU A 41 -0.236 -3.770 -6.233 1.00 0.00 O ATOM 581 CB LEU A 41 -1.676 -4.517 -3.611 1.00 0.00 C ATOM 582 CG LEU A 41 -1.098 -3.946 -2.306 1.00 0.00 C ATOM 583 CD1 LEU A 41 0.224 -3.234 -2.550 1.00 0.00 C ATOM 584 CD2 LEU A 41 -2.097 -3.005 -1.646 1.00 0.00 C ATOM 0 H LEU A 41 -2.561 -4.530 -6.439 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.518 -2.633 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.564 -5.099 -3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.948 -5.209 -4.034 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.907 -4.782 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.606 -2.842 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.944 -3.937 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.071 -2.412 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.671 -2.610 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.323 -2.181 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.014 -3.549 -1.418 1.00 0.00 H new ATOM 596 N THR A 42 -0.394 -1.785 -5.186 1.00 0.00 N ATOM 597 CA THR A 42 0.780 -1.221 -5.845 1.00 0.00 C ATOM 598 C THR A 42 1.460 -0.164 -4.986 1.00 0.00 C ATOM 599 O THR A 42 0.805 0.589 -4.266 1.00 0.00 O ATOM 600 CB THR A 42 0.423 -0.574 -7.199 1.00 0.00 C ATOM 601 OG1 THR A 42 -0.721 0.276 -7.052 1.00 0.00 O ATOM 602 CG2 THR A 42 0.153 -1.625 -8.263 1.00 0.00 C ATOM 0 H THR A 42 -0.854 -1.153 -4.531 1.00 0.00 H new ATOM 0 HA THR A 42 1.459 -2.059 -6.004 1.00 0.00 H new ATOM 0 HB THR A 42 1.278 0.021 -7.521 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.939 0.684 -7.916 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.095 -1.134 -9.204 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.041 -2.242 -8.399 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.681 -2.254 -7.950 1.00 0.00 H new ATOM 610 N ILE A 43 2.782 -0.105 -5.094 1.00 0.00 N ATOM 611 CA ILE A 43 3.575 0.869 -4.360 1.00 0.00 C ATOM 612 C ILE A 43 4.599 1.491 -5.298 1.00 0.00 C ATOM 613 O ILE A 43 5.437 0.785 -5.861 1.00 0.00 O ATOM 614 CB ILE A 43 4.301 0.230 -3.158 1.00 0.00 C ATOM 615 CG1 ILE A 43 3.281 -0.333 -2.164 1.00 0.00 C ATOM 616 CG2 ILE A 43 5.209 1.249 -2.482 1.00 0.00 C ATOM 617 CD1 ILE A 43 3.907 -1.003 -0.959 1.00 0.00 C ATOM 0 H ILE A 43 3.330 -0.727 -5.689 1.00 0.00 H new ATOM 0 HA ILE A 43 2.899 1.632 -3.974 1.00 0.00 H new ATOM 0 HB ILE A 43 4.921 -0.591 -3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.635 0.476 -1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.645 -1.053 -2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.714 0.782 -1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.952 1.605 -3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.612 2.090 -2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.122 -1.376 -0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.530 -1.834 -1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.520 -0.281 -0.419 1.00 0.00 H new ATOM 629 N CYS A 44 4.505 2.809 -5.479 1.00 0.00 N ATOM 630 CA CYS A 44 5.401 3.541 -6.374 1.00 0.00 C ATOM 631 C CYS A 44 5.027 3.285 -7.834 1.00 0.00 C ATOM 632 O CYS A 44 5.087 4.189 -8.668 1.00 0.00 O ATOM 633 CB CYS A 44 6.864 3.155 -6.128 1.00 0.00 C ATOM 634 SG CYS A 44 7.426 3.426 -4.432 1.00 0.00 S ATOM 0 H CYS A 44 3.812 3.395 -5.014 1.00 0.00 H new ATOM 0 HA CYS A 44 5.289 4.604 -6.163 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.998 2.103 -6.380 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.498 3.728 -6.805 1.00 0.00 H new ATOM 0 HG CYS A 44 8.185 2.437 -4.063 1.00 0.00 H new ATOM 640 N GLY A 45 4.637 2.048 -8.134 1.00 0.00 N ATOM 641 CA GLY A 45 4.254 1.688 -9.486 1.00 0.00 C ATOM 642 C GLY A 45 4.205 0.187 -9.684 1.00 0.00 C ATOM 643 O GLY A 45 3.347 -0.327 -10.404 1.00 0.00 O ATOM 0 H GLY A 45 4.580 1.286 -7.459 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.277 2.115 -9.711 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.962 2.123 -10.191 1.00 0.00 H new ATOM 647 N HIS A 46 5.132 -0.515 -9.041 1.00 0.00 N ATOM 648 CA HIS A 46 5.208 -1.968 -9.142 1.00 0.00 C ATOM 649 C HIS A 46 4.137 -2.629 -8.280 1.00 0.00 C ATOM 650 O HIS A 46 3.977 -2.293 -7.106 1.00 0.00 O ATOM 651 CB HIS A 46 6.595 -2.447 -8.711 1.00 0.00 C ATOM 652 CG HIS A 46 6.833 -3.903 -8.958 1.00 0.00 C ATOM 653 ND1 HIS A 46 6.871 -4.455 -10.220 1.00 0.00 N ATOM 654 CD2 HIS A 46 7.055 -4.924 -8.096 1.00 0.00 C ATOM 655 CE1 HIS A 46 7.107 -5.751 -10.126 1.00 0.00 C ATOM 656 NE2 HIS A 46 7.222 -6.061 -8.848 1.00 0.00 N ATOM 0 H HIS A 46 5.845 -0.099 -8.441 1.00 0.00 H new ATOM 0 HA HIS A 46 5.035 -2.251 -10.180 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.351 -1.869 -9.243 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.726 -2.242 -7.649 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.093 -4.857 -7.019 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.191 -6.440 -10.954 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.405 -6.994 -8.479 1.00 0.00 H new ATOM 665 N ASN A 47 3.407 -3.571 -8.869 1.00 0.00 N ATOM 666 CA ASN A 47 2.354 -4.280 -8.151 1.00 0.00 C ATOM 667 C ASN A 47 2.947 -5.299 -7.182 1.00 0.00 C ATOM 668 O ASN A 47 3.976 -5.914 -7.465 1.00 0.00 O ATOM 669 CB ASN A 47 1.408 -4.979 -9.132 1.00 0.00 C ATOM 670 CG ASN A 47 2.082 -6.102 -9.892 1.00 0.00 C ATOM 671 OD1 ASN A 47 3.058 -5.886 -10.611 1.00 0.00 O ATOM 672 ND2 ASN A 47 1.560 -7.313 -9.734 1.00 0.00 N ATOM 0 H ASN A 47 3.525 -3.861 -9.840 1.00 0.00 H new ATOM 0 HA ASN A 47 1.787 -3.546 -7.578 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.553 -5.377 -8.585 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.020 -4.247 -9.841 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.969 -8.112 -10.219 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.750 -7.444 -9.128 1.00 0.00 H new ATOM 679 N CYS A 48 2.291 -5.474 -6.038 1.00 0.00 N ATOM 680 CA CYS A 48 2.750 -6.420 -5.024 1.00 0.00 C ATOM 681 C CYS A 48 1.563 -7.036 -4.290 1.00 0.00 C ATOM 682 O CYS A 48 1.569 -7.161 -3.065 1.00 0.00 O ATOM 683 CB CYS A 48 3.677 -5.723 -4.026 1.00 0.00 C ATOM 684 SG CYS A 48 5.164 -5.013 -4.769 1.00 0.00 S ATOM 0 H CYS A 48 1.438 -4.972 -5.789 1.00 0.00 H new ATOM 0 HA CYS A 48 3.303 -7.215 -5.524 1.00 0.00 H new ATOM 0 HB2 CYS A 48 3.122 -4.931 -3.523 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.974 -6.440 -3.260 1.00 0.00 H new ATOM 0 HG CYS A 48 5.215 -5.333 -6.028 1.00 0.00 H new ATOM 690 N LEU A 49 0.544 -7.413 -5.053 1.00 0.00 N ATOM 691 CA LEU A 49 -0.662 -8.013 -4.493 1.00 0.00 C ATOM 692 C LEU A 49 -0.352 -9.377 -3.880 1.00 0.00 C ATOM 693 O LEU A 49 -0.793 -9.687 -2.773 1.00 0.00 O ATOM 694 CB LEU A 49 -1.726 -8.147 -5.591 1.00 0.00 C ATOM 695 CG LEU A 49 -3.160 -8.417 -5.115 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.288 -9.803 -4.502 1.00 0.00 C ATOM 697 CD2 LEU A 49 -3.599 -7.351 -4.121 1.00 0.00 C ATOM 0 H LEU A 49 0.529 -7.313 -6.068 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.043 -7.368 -3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.728 -7.230 -6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.429 -8.955 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.815 -8.376 -5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.315 -9.963 -4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.022 -10.555 -5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.618 -9.886 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.618 -7.557 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.932 -7.360 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.562 -6.372 -4.598 1.00 0.00 H new ATOM 709 N LEU A 50 0.401 -10.189 -4.617 1.00 0.00 N ATOM 710 CA LEU A 50 0.767 -11.530 -4.167 1.00 0.00 C ATOM 711 C LEU A 50 1.318 -11.514 -2.740 1.00 0.00 C ATOM 712 O LEU A 50 0.993 -12.386 -1.933 1.00 0.00 O ATOM 713 CB LEU A 50 1.795 -12.160 -5.118 1.00 0.00 C ATOM 714 CG LEU A 50 3.180 -11.499 -5.144 1.00 0.00 C ATOM 715 CD1 LEU A 50 4.164 -12.368 -5.911 1.00 0.00 C ATOM 716 CD2 LEU A 50 3.114 -10.113 -5.770 1.00 0.00 C ATOM 0 H LEU A 50 0.772 -9.940 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.141 -12.133 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.919 -13.208 -4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.386 -12.141 -6.128 1.00 0.00 H new ATOM 0 HG LEU A 50 3.522 -11.394 -4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.142 -11.887 -5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.243 -13.342 -5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.813 -12.499 -6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.109 -9.668 -5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.747 -10.193 -6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.439 -9.484 -5.190 1.00 0.00 H new ATOM 728 N THR A 51 2.152 -10.524 -2.436 1.00 0.00 N ATOM 729 CA THR A 51 2.744 -10.403 -1.108 1.00 0.00 C ATOM 730 C THR A 51 1.772 -9.762 -0.121 1.00 0.00 C ATOM 731 O THR A 51 1.754 -10.110 1.059 1.00 0.00 O ATOM 732 CB THR A 51 4.041 -9.571 -1.145 1.00 0.00 C ATOM 733 OG1 THR A 51 3.774 -8.272 -1.687 1.00 0.00 O ATOM 734 CG2 THR A 51 5.111 -10.265 -1.977 1.00 0.00 C ATOM 0 H THR A 51 2.433 -9.794 -3.091 1.00 0.00 H new ATOM 0 HA THR A 51 2.976 -11.415 -0.776 1.00 0.00 H new ATOM 0 HB THR A 51 4.410 -9.470 -0.124 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.893 -8.271 -2.115 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.016 -9.657 -1.987 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.334 -11.240 -1.543 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.751 -10.396 -2.997 1.00 0.00 H new ATOM 742 N ALA A 52 0.976 -8.817 -0.611 1.00 0.00 N ATOM 743 CA ALA A 52 0.008 -8.114 0.226 1.00 0.00 C ATOM 744 C ALA A 52 -0.965 -9.077 0.900 1.00 0.00 C ATOM 745 O ALA A 52 -1.496 -9.988 0.264 1.00 0.00 O ATOM 746 CB ALA A 52 -0.751 -7.087 -0.601 1.00 0.00 C ATOM 0 H ALA A 52 0.982 -8.519 -1.587 1.00 0.00 H new ATOM 0 HA ALA A 52 0.561 -7.603 1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.470 -6.569 0.033 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.049 -6.365 -1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.278 -7.590 -1.411 1.00 0.00 H new ATOM 752 N GLU A 53 -1.199 -8.858 2.191 1.00 0.00 N ATOM 753 CA GLU A 53 -2.112 -9.691 2.967 1.00 0.00 C ATOM 754 C GLU A 53 -3.152 -8.830 3.679 1.00 0.00 C ATOM 755 O GLU A 53 -2.820 -7.808 4.279 1.00 0.00 O ATOM 756 CB GLU A 53 -1.336 -10.524 3.989 1.00 0.00 C ATOM 757 CG GLU A 53 -2.217 -11.438 4.826 1.00 0.00 C ATOM 758 CD GLU A 53 -1.429 -12.242 5.842 1.00 0.00 C ATOM 759 OE1 GLU A 53 -0.190 -12.084 5.893 1.00 0.00 O ATOM 760 OE2 GLU A 53 -2.048 -13.030 6.587 1.00 0.00 O ATOM 0 H GLU A 53 -0.765 -8.105 2.725 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.626 -10.363 2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.595 -11.128 3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.790 -9.853 4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.966 -10.839 5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.755 -12.120 4.167 1.00 0.00 H new ATOM 767 N TRP A 54 -4.412 -9.248 3.605 1.00 0.00 N ATOM 768 CA TRP A 54 -5.502 -8.513 4.240 1.00 0.00 C ATOM 769 C TRP A 54 -5.479 -8.683 5.757 1.00 0.00 C ATOM 770 O TRP A 54 -5.004 -9.695 6.273 1.00 0.00 O ATOM 771 CB TRP A 54 -6.854 -8.977 3.696 1.00 0.00 C ATOM 772 CG TRP A 54 -7.995 -8.136 4.182 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.433 -6.960 3.646 1.00 0.00 C ATOM 774 CD2 TRP A 54 -8.821 -8.391 5.324 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.494 -6.477 4.372 1.00 0.00 N ATOM 776 CE2 TRP A 54 -9.749 -7.337 5.409 1.00 0.00 C ATOM 777 CE3 TRP A 54 -8.870 -9.412 6.276 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -10.715 -7.274 6.411 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -9.828 -9.348 7.271 1.00 0.00 C ATOM 780 CH2 TRP A 54 -10.738 -8.286 7.332 1.00 0.00 C ATOM 0 H TRP A 54 -4.704 -10.092 3.112 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.361 -7.458 4.007 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.830 -8.953 2.607 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.022 -10.013 3.989 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.007 -6.479 2.778 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -10.008 -5.619 4.172 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.173 -10.236 6.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.420 -6.457 6.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.875 -10.131 8.014 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.474 -8.265 8.122 1.00 0.00 H new ATOM 791 N MET A 55 -6.011 -7.688 6.464 1.00 0.00 N ATOM 792 CA MET A 55 -6.069 -7.721 7.924 1.00 0.00 C ATOM 793 C MET A 55 -7.336 -7.038 8.431 1.00 0.00 C ATOM 794 O MET A 55 -8.029 -7.563 9.302 1.00 0.00 O ATOM 795 CB MET A 55 -4.847 -7.030 8.530 1.00 0.00 C ATOM 796 CG MET A 55 -3.529 -7.724 8.228 1.00 0.00 C ATOM 797 SD MET A 55 -3.443 -9.388 8.916 1.00 0.00 S ATOM 798 CE MET A 55 -1.764 -9.841 8.491 1.00 0.00 C ATOM 0 H MET A 55 -6.409 -6.846 6.048 1.00 0.00 H new ATOM 0 HA MET A 55 -6.079 -8.767 8.231 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.800 -6.006 8.158 1.00 0.00 H new ATOM 0 HB3 MET A 55 -4.975 -6.971 9.611 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.389 -7.774 7.148 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.709 -7.127 8.628 1.00 0.00 H new ATOM 0 HE1 MET A 55 -1.680 -10.927 8.449 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.508 -9.419 7.519 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.080 -9.453 9.246 1.00 0.00 H new ATOM 808 N SER A 56 -7.627 -5.862 7.880 1.00 0.00 N ATOM 809 CA SER A 56 -8.806 -5.098 8.278 1.00 0.00 C ATOM 810 C SER A 56 -9.016 -3.907 7.347 1.00 0.00 C ATOM 811 O SER A 56 -8.220 -3.672 6.439 1.00 0.00 O ATOM 812 CB SER A 56 -8.659 -4.611 9.721 1.00 0.00 C ATOM 813 OG SER A 56 -9.816 -3.916 10.149 1.00 0.00 O ATOM 0 H SER A 56 -7.062 -5.417 7.156 1.00 0.00 H new ATOM 0 HA SER A 56 -9.676 -5.751 8.209 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.479 -5.462 10.378 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.790 -3.958 9.800 1.00 0.00 H new ATOM 0 HG SER A 56 -9.695 -3.618 11.075 1.00 0.00 H new ATOM 819 N ALA A 57 -10.096 -3.163 7.574 1.00 0.00 N ATOM 820 CA ALA A 57 -10.409 -1.998 6.750 1.00 0.00 C ATOM 821 C ALA A 57 -9.536 -0.798 7.117 1.00 0.00 C ATOM 822 O ALA A 57 -9.989 0.345 7.063 1.00 0.00 O ATOM 823 CB ALA A 57 -11.882 -1.639 6.887 1.00 0.00 C ATOM 0 H ALA A 57 -10.768 -3.345 8.320 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.198 -2.257 5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.104 -0.769 6.268 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.493 -2.481 6.562 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.105 -1.410 7.929 1.00 0.00 H new ATOM 829 N SER A 58 -8.280 -1.066 7.476 1.00 0.00 N ATOM 830 CA SER A 58 -7.338 -0.010 7.843 1.00 0.00 C ATOM 831 C SER A 58 -5.974 -0.596 8.192 1.00 0.00 C ATOM 832 O SER A 58 -5.242 -0.044 9.015 1.00 0.00 O ATOM 833 CB SER A 58 -7.871 0.799 9.029 1.00 0.00 C ATOM 834 OG SER A 58 -8.090 -0.031 10.156 1.00 0.00 O ATOM 0 H SER A 58 -7.891 -2.008 7.520 1.00 0.00 H new ATOM 0 HA SER A 58 -7.226 0.651 6.983 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.161 1.585 9.285 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.803 1.290 8.749 1.00 0.00 H new ATOM 0 HG SER A 58 -8.428 0.510 10.900 1.00 0.00 H new ATOM 840 N LYS A 59 -5.634 -1.717 7.559 1.00 0.00 N ATOM 841 CA LYS A 59 -4.356 -2.376 7.802 1.00 0.00 C ATOM 842 C LYS A 59 -4.061 -3.407 6.718 1.00 0.00 C ATOM 843 O LYS A 59 -4.923 -4.215 6.370 1.00 0.00 O ATOM 844 CB LYS A 59 -4.355 -3.055 9.173 1.00 0.00 C ATOM 845 CG LYS A 59 -3.054 -3.780 9.489 1.00 0.00 C ATOM 846 CD LYS A 59 -3.124 -4.513 10.822 1.00 0.00 C ATOM 847 CE LYS A 59 -3.318 -3.551 11.984 1.00 0.00 C ATOM 848 NZ LYS A 59 -3.389 -4.265 13.289 1.00 0.00 N ATOM 0 H LYS A 59 -6.227 -2.187 6.874 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.577 -1.614 7.781 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.540 -2.305 9.942 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.179 -3.767 9.218 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.832 -4.492 8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.234 -3.062 9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.946 -5.229 10.801 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.208 -5.084 10.972 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.495 -2.836 12.005 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.233 -2.979 11.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.522 -3.575 14.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.190 -4.929 13.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.505 -4.791 13.446 1.00 0.00 H new ATOM 862 N ILE A 60 -2.838 -3.381 6.192 1.00 0.00 N ATOM 863 CA ILE A 60 -2.429 -4.321 5.152 1.00 0.00 C ATOM 864 C ILE A 60 -0.927 -4.584 5.211 1.00 0.00 C ATOM 865 O ILE A 60 -0.119 -3.693 4.946 1.00 0.00 O ATOM 866 CB ILE A 60 -2.781 -3.801 3.739 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.296 -3.637 3.581 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.235 -4.742 2.673 1.00 0.00 C ATOM 869 CD1 ILE A 60 -4.710 -3.071 2.239 1.00 0.00 C ATOM 0 H ILE A 60 -2.113 -2.719 6.469 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.975 -5.246 5.339 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.316 -2.823 3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.774 -4.607 3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.666 -2.983 4.371 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.492 -4.361 1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.151 -4.807 2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.671 -5.732 2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.796 -2.983 2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.262 -2.087 2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.371 -3.735 1.444 1.00 0.00 H new ATOM 881 N VAL A 61 -0.559 -5.819 5.546 1.00 0.00 N ATOM 882 CA VAL A 61 0.845 -6.205 5.620 1.00 0.00 C ATOM 883 C VAL A 61 1.371 -6.543 4.231 1.00 0.00 C ATOM 884 O VAL A 61 0.743 -7.301 3.493 1.00 0.00 O ATOM 885 CB VAL A 61 1.053 -7.416 6.549 1.00 0.00 C ATOM 886 CG1 VAL A 61 2.530 -7.761 6.657 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.461 -7.143 7.923 1.00 0.00 C ATOM 0 H VAL A 61 -1.214 -6.568 5.770 1.00 0.00 H new ATOM 0 HA VAL A 61 1.395 -5.358 6.030 1.00 0.00 H new ATOM 0 HB VAL A 61 0.535 -8.273 6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.656 -8.619 7.318 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.920 -8.004 5.669 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.074 -6.908 7.062 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.618 -8.010 8.565 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.948 -6.273 8.363 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.608 -6.951 7.827 1.00 0.00 H new ATOM 897 N CYS A 62 2.515 -5.973 3.870 1.00 0.00 N ATOM 898 CA CYS A 62 3.100 -6.220 2.558 1.00 0.00 C ATOM 899 C CYS A 62 4.510 -5.652 2.460 1.00 0.00 C ATOM 900 O CYS A 62 4.851 -4.691 3.150 1.00 0.00 O ATOM 901 CB CYS A 62 2.223 -5.603 1.467 1.00 0.00 C ATOM 902 SG CYS A 62 2.060 -3.806 1.586 1.00 0.00 S ATOM 0 H CYS A 62 3.053 -5.341 4.463 1.00 0.00 H new ATOM 0 HA CYS A 62 3.156 -7.300 2.418 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.641 -5.856 0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.231 -6.052 1.515 1.00 0.00 H new ATOM 0 HG CYS A 62 1.303 -3.374 0.621 1.00 0.00 H new ATOM 908 N ARG A 63 5.319 -6.247 1.591 1.00 0.00 N ATOM 909 CA ARG A 63 6.689 -5.796 1.389 1.00 0.00 C ATOM 910 C ARG A 63 6.713 -4.639 0.396 1.00 0.00 C ATOM 911 O ARG A 63 6.022 -4.673 -0.623 1.00 0.00 O ATOM 912 CB ARG A 63 7.554 -6.950 0.879 1.00 0.00 C ATOM 913 CG ARG A 63 7.506 -8.184 1.765 1.00 0.00 C ATOM 914 CD ARG A 63 8.361 -9.311 1.204 1.00 0.00 C ATOM 915 NE ARG A 63 8.265 -10.530 2.006 1.00 0.00 N ATOM 916 CZ ARG A 63 8.662 -10.619 3.274 1.00 0.00 C ATOM 917 NH1 ARG A 63 9.204 -9.571 3.881 1.00 0.00 N ATOM 918 NH2 ARG A 63 8.519 -11.761 3.934 1.00 0.00 N ATOM 0 H ARG A 63 5.049 -7.044 1.015 1.00 0.00 H new ATOM 0 HA ARG A 63 7.094 -5.452 2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.228 -7.221 -0.125 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.587 -6.611 0.798 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.853 -7.927 2.766 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.475 -8.523 1.862 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.050 -9.526 0.181 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.401 -8.988 1.160 1.00 0.00 H new ATOM 0 HE ARG A 63 7.870 -11.362 1.568 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.318 -8.692 3.376 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.506 -9.644 4.852 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.105 -12.570 3.470 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.823 -11.830 4.905 1.00 0.00 H new ATOM 932 N VAL A 64 7.498 -3.612 0.704 1.00 0.00 N ATOM 933 CA VAL A 64 7.596 -2.439 -0.158 1.00 0.00 C ATOM 934 C VAL A 64 7.956 -2.833 -1.585 1.00 0.00 C ATOM 935 O VAL A 64 8.840 -3.661 -1.805 1.00 0.00 O ATOM 936 CB VAL A 64 8.649 -1.441 0.352 1.00 0.00 C ATOM 937 CG1 VAL A 64 8.395 -0.056 -0.221 1.00 0.00 C ATOM 938 CG2 VAL A 64 8.686 -1.412 1.871 1.00 0.00 C ATOM 0 H VAL A 64 8.075 -3.568 1.544 1.00 0.00 H new ATOM 0 HA VAL A 64 6.615 -1.964 -0.142 1.00 0.00 H new ATOM 0 HB VAL A 64 9.628 -1.774 0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.150 0.636 0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.446 -0.097 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.406 0.288 0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.439 -0.698 2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.710 -1.114 2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.935 -2.404 2.248 1.00 0.00 H new ATOM 1052 N GLY A 72 6.402 7.738 -4.851 1.00 0.00 N ATOM 1053 CA GLY A 72 6.056 6.495 -4.190 1.00 0.00 C ATOM 1054 C GLY A 72 4.658 6.515 -3.603 1.00 0.00 C ATOM 1055 O GLY A 72 4.443 6.057 -2.480 1.00 0.00 O ATOM 0 HA2 GLY A 72 6.135 5.675 -4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.776 6.297 -3.396 1.00 0.00 H new ATOM 1059 N ASP A 73 3.704 7.046 -4.362 1.00 0.00 N ATOM 1060 CA ASP A 73 2.320 7.123 -3.907 1.00 0.00 C ATOM 1061 C ASP A 73 1.732 5.730 -3.706 1.00 0.00 C ATOM 1062 O ASP A 73 1.854 4.863 -4.572 1.00 0.00 O ATOM 1063 CB ASP A 73 1.471 7.904 -4.912 1.00 0.00 C ATOM 1064 CG ASP A 73 1.424 7.235 -6.272 1.00 0.00 C ATOM 1065 OD1 ASP A 73 2.499 7.038 -6.874 1.00 0.00 O ATOM 1066 OD2 ASP A 73 0.310 6.912 -6.736 1.00 0.00 O ATOM 0 H ASP A 73 3.864 7.429 -5.294 1.00 0.00 H new ATOM 0 HA ASP A 73 2.311 7.644 -2.950 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.457 8.006 -4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.874 8.911 -5.019 1.00 0.00 H new ATOM 1071 N ILE A 74 1.088 5.526 -2.563 1.00 0.00 N ATOM 1072 CA ILE A 74 0.475 4.241 -2.253 1.00 0.00 C ATOM 1073 C ILE A 74 -0.928 4.161 -2.845 1.00 0.00 C ATOM 1074 O ILE A 74 -1.744 5.063 -2.654 1.00 0.00 O ATOM 1075 CB ILE A 74 0.412 4.005 -0.731 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.826 4.051 -0.140 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.261 2.672 -0.422 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.868 3.881 1.363 1.00 0.00 C ATOM 0 H ILE A 74 0.977 6.233 -1.836 1.00 0.00 H new ATOM 0 HA ILE A 74 1.096 3.463 -2.697 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.184 4.795 -0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.428 3.268 -0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.288 5.003 -0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.296 2.524 0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.275 2.675 -0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.307 1.863 -0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.902 3.925 1.705 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.295 4.679 1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.437 2.917 1.632 1.00 0.00 H new ATOM 1090 N ILE A 75 -1.197 3.082 -3.575 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.497 2.895 -4.211 1.00 0.00 C ATOM 1092 C ILE A 75 -3.038 1.490 -3.962 1.00 0.00 C ATOM 1093 O ILE A 75 -2.287 0.515 -3.962 1.00 0.00 O ATOM 1094 CB ILE A 75 -2.413 3.131 -5.733 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -1.787 4.498 -6.034 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.794 3.022 -6.366 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -2.579 5.669 -5.491 1.00 0.00 C ATOM 0 H ILE A 75 -0.533 2.325 -3.740 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.173 3.626 -3.768 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.775 2.361 -6.166 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.781 4.526 -5.614 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.685 4.610 -7.113 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.716 3.191 -7.440 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.200 2.027 -6.184 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.455 3.770 -5.928 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.072 6.600 -5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.577 5.668 -5.930 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.659 5.583 -4.407 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.349 1.396 -3.757 1.00 0.00 N ATOM 1110 CA VAL A 76 -4.996 0.114 -3.517 1.00 0.00 C ATOM 1111 C VAL A 76 -6.354 0.048 -4.216 1.00 0.00 C ATOM 1112 O VAL A 76 -7.228 0.884 -3.986 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.174 -0.148 -2.009 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -5.937 0.990 -1.355 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -5.875 -1.478 -1.771 1.00 0.00 C ATOM 0 H VAL A 76 -4.983 2.195 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.348 -0.659 -3.930 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.186 -0.201 -1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.052 0.786 -0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.387 1.921 -1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.921 1.081 -1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.990 -1.642 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.857 -1.461 -2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.280 -2.285 -2.200 1.00 0.00 H new ATOM 1125 N THR A 77 -6.518 -0.949 -5.080 1.00 0.00 N ATOM 1126 CA THR A 77 -7.760 -1.126 -5.824 1.00 0.00 C ATOM 1127 C THR A 77 -8.767 -1.957 -5.035 1.00 0.00 C ATOM 1128 O THR A 77 -8.392 -2.847 -4.272 1.00 0.00 O ATOM 1129 CB THR A 77 -7.509 -1.798 -7.189 1.00 0.00 C ATOM 1130 OG1 THR A 77 -6.532 -1.055 -7.927 1.00 0.00 O ATOM 1131 CG2 THR A 77 -8.796 -1.885 -7.997 1.00 0.00 C ATOM 0 H THR A 77 -5.804 -1.649 -5.282 1.00 0.00 H new ATOM 0 HA THR A 77 -8.171 -0.130 -5.989 1.00 0.00 H new ATOM 0 HB THR A 77 -7.142 -2.808 -7.008 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.376 -1.488 -8.792 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.592 -2.363 -8.955 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.531 -2.473 -7.448 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.187 -0.882 -8.167 1.00 0.00 H new ATOM 1139 N THR A 78 -10.049 -1.658 -5.228 1.00 0.00 N ATOM 1140 CA THR A 78 -11.118 -2.374 -4.541 1.00 0.00 C ATOM 1141 C THR A 78 -12.300 -2.607 -5.474 1.00 0.00 C ATOM 1142 O THR A 78 -12.648 -1.742 -6.278 1.00 0.00 O ATOM 1143 CB THR A 78 -11.604 -1.605 -3.298 1.00 0.00 C ATOM 1144 OG1 THR A 78 -12.102 -0.316 -3.678 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.478 -1.439 -2.291 1.00 0.00 C ATOM 0 H THR A 78 -10.372 -0.923 -5.856 1.00 0.00 H new ATOM 0 HA THR A 78 -10.708 -3.333 -4.225 1.00 0.00 H new ATOM 0 HB THR A 78 -12.405 -2.181 -2.835 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.410 0.164 -2.881 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.845 -0.893 -1.422 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.121 -2.421 -1.979 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.659 -0.884 -2.749 1.00 0.00 H new ATOM 1153 N LYS A 79 -12.909 -3.787 -5.369 1.00 0.00 N ATOM 1154 CA LYS A 79 -14.048 -4.140 -6.209 1.00 0.00 C ATOM 1155 C LYS A 79 -15.123 -3.057 -6.163 1.00 0.00 C ATOM 1156 O LYS A 79 -15.615 -2.614 -7.200 1.00 0.00 O ATOM 1157 CB LYS A 79 -14.639 -5.481 -5.765 1.00 0.00 C ATOM 1158 CG LYS A 79 -13.687 -6.656 -5.931 1.00 0.00 C ATOM 1159 CD LYS A 79 -13.353 -6.913 -7.395 1.00 0.00 C ATOM 1160 CE LYS A 79 -14.593 -7.271 -8.200 1.00 0.00 C ATOM 1161 NZ LYS A 79 -15.259 -8.500 -7.683 1.00 0.00 N ATOM 0 H LYS A 79 -12.631 -4.514 -4.710 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.694 -4.227 -7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.933 -5.409 -4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.545 -5.676 -6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.768 -6.460 -5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.135 -7.550 -5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.885 -6.026 -7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.627 -7.723 -7.466 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.296 -6.439 -8.172 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.317 -7.420 -9.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.982 -8.815 -8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.551 -9.252 -7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.709 -8.292 -6.769 1.00 0.00 H new ATOM 1175 N SER A 80 -15.478 -2.633 -4.954 1.00 0.00 N ATOM 1176 CA SER A 80 -16.491 -1.598 -4.777 1.00 0.00 C ATOM 1177 C SER A 80 -15.980 -0.247 -5.268 1.00 0.00 C ATOM 1178 O SER A 80 -16.681 0.471 -5.981 1.00 0.00 O ATOM 1179 CB SER A 80 -16.898 -1.498 -3.305 1.00 0.00 C ATOM 1180 OG SER A 80 -15.789 -1.158 -2.490 1.00 0.00 O ATOM 0 H SER A 80 -15.081 -2.989 -4.085 1.00 0.00 H new ATOM 0 HA SER A 80 -17.363 -1.874 -5.370 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.680 -0.748 -3.191 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.318 -2.448 -2.975 1.00 0.00 H new ATOM 0 HG SER A 80 -16.076 -1.099 -1.555 1.00 0.00 H new ATOM 1186 N GLY A 81 -14.753 0.091 -4.878 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.160 1.355 -5.282 1.00 0.00 C ATOM 1188 C GLY A 81 -13.841 1.410 -6.764 1.00 0.00 C ATOM 1189 O GLY A 81 -14.690 1.112 -7.604 1.00 0.00 O ATOM 0 H GLY A 81 -14.158 -0.490 -4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.843 2.167 -5.032 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.246 1.520 -4.712 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.609 1.797 -7.081 1.00 0.00 N ATOM 1194 CA GLY A 82 -12.183 1.894 -8.466 1.00 0.00 C ATOM 1195 C GLY A 82 -10.682 2.067 -8.589 1.00 0.00 C ATOM 1196 O GLY A 82 -10.051 1.486 -9.471 1.00 0.00 O ATOM 0 H GLY A 82 -11.894 2.047 -6.398 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.489 0.996 -9.003 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.685 2.737 -8.941 1.00 0.00 H new ATOM 1200 N LYS A 83 -10.113 2.861 -7.688 1.00 0.00 N ATOM 1201 CA LYS A 83 -8.677 3.112 -7.675 1.00 0.00 C ATOM 1202 C LYS A 83 -8.273 3.814 -6.383 1.00 0.00 C ATOM 1203 O LYS A 83 -8.874 4.814 -5.991 1.00 0.00 O ATOM 1204 CB LYS A 83 -8.262 3.958 -8.881 1.00 0.00 C ATOM 1205 CG LYS A 83 -6.762 4.193 -8.965 1.00 0.00 C ATOM 1206 CD LYS A 83 -6.394 5.050 -10.167 1.00 0.00 C ATOM 1207 CE LYS A 83 -4.893 5.274 -10.249 1.00 0.00 C ATOM 1208 NZ LYS A 83 -4.518 6.107 -11.425 1.00 0.00 N ATOM 0 H LYS A 83 -10.629 3.344 -6.953 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.164 2.152 -7.733 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.597 3.465 -9.794 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.771 4.921 -8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.418 4.679 -8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.246 3.235 -9.029 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.742 4.567 -11.080 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.904 6.011 -10.100 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.548 5.759 -9.336 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.385 4.311 -10.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.486 6.236 -11.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.824 5.632 -12.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.982 7.035 -11.355 1.00 0.00 H new ATOM 1222 N GLY A 84 -7.256 3.272 -5.723 1.00 0.00 N ATOM 1223 CA GLY A 84 -6.785 3.842 -4.475 1.00 0.00 C ATOM 1224 C GLY A 84 -6.139 5.202 -4.646 1.00 0.00 C ATOM 1225 O GLY A 84 -5.620 5.524 -5.714 1.00 0.00 O ATOM 0 H GLY A 84 -6.747 2.444 -6.032 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.623 3.929 -3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.066 3.160 -4.020 1.00 0.00 H new ATOM 1229 N THR A 85 -6.171 5.995 -3.581 1.00 0.00 N ATOM 1230 CA THR A 85 -5.585 7.329 -3.587 1.00 0.00 C ATOM 1231 C THR A 85 -4.973 7.639 -2.226 1.00 0.00 C ATOM 1232 O THR A 85 -5.537 7.282 -1.192 1.00 0.00 O ATOM 1233 CB THR A 85 -6.627 8.411 -3.928 1.00 0.00 C ATOM 1234 OG1 THR A 85 -7.720 8.349 -3.003 1.00 0.00 O ATOM 1235 CG2 THR A 85 -7.147 8.236 -5.346 1.00 0.00 C ATOM 0 H THR A 85 -6.601 5.733 -2.694 1.00 0.00 H new ATOM 0 HA THR A 85 -4.814 7.340 -4.357 1.00 0.00 H new ATOM 0 HB THR A 85 -6.143 9.385 -3.854 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.377 9.041 -3.226 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.881 9.012 -5.563 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.318 8.314 -6.050 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.615 7.256 -5.444 1.00 0.00 H new ATOM 1243 N SER A 86 -3.813 8.286 -2.228 1.00 0.00 N ATOM 1244 CA SER A 86 -3.133 8.613 -0.980 1.00 0.00 C ATOM 1245 C SER A 86 -2.230 9.832 -1.129 1.00 0.00 C ATOM 1246 O SER A 86 -1.500 9.964 -2.112 1.00 0.00 O ATOM 1247 CB SER A 86 -2.307 7.419 -0.508 1.00 0.00 C ATOM 1248 OG SER A 86 -1.600 7.729 0.678 1.00 0.00 O ATOM 0 H SER A 86 -3.327 8.592 -3.071 1.00 0.00 H new ATOM 0 HA SER A 86 -3.898 8.850 -0.241 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.962 6.566 -0.333 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.605 7.127 -1.289 1.00 0.00 H new ATOM 0 HG SER A 86 -2.140 8.330 1.233 1.00 0.00 H new ATOM 1254 N THR A 87 -2.285 10.719 -0.138 1.00 0.00 N ATOM 1255 CA THR A 87 -1.472 11.927 -0.143 1.00 0.00 C ATOM 1256 C THR A 87 -0.152 11.707 0.595 1.00 0.00 C ATOM 1257 O THR A 87 0.340 12.602 1.284 1.00 0.00 O ATOM 1258 CB THR A 87 -2.222 13.105 0.508 1.00 0.00 C ATOM 1259 OG1 THR A 87 -2.460 12.828 1.895 1.00 0.00 O ATOM 1260 CG2 THR A 87 -3.548 13.356 -0.194 1.00 0.00 C ATOM 0 H THR A 87 -2.887 10.621 0.680 1.00 0.00 H new ATOM 0 HA THR A 87 -1.264 12.167 -1.186 1.00 0.00 H new ATOM 0 HB THR A 87 -1.602 13.997 0.415 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.935 13.582 2.302 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.060 14.192 0.283 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.366 13.592 -1.242 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.170 12.464 -0.126 1.00 0.00 H new ATOM 1268 N VAL A 88 0.418 10.514 0.443 1.00 0.00 N ATOM 1269 CA VAL A 88 1.682 10.173 1.093 1.00 0.00 C ATOM 1270 C VAL A 88 2.485 9.194 0.242 1.00 0.00 C ATOM 1271 O VAL A 88 1.918 8.349 -0.451 1.00 0.00 O ATOM 1272 CB VAL A 88 1.468 9.555 2.493 1.00 0.00 C ATOM 1273 CG1 VAL A 88 0.740 10.525 3.410 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.710 8.240 2.391 1.00 0.00 C ATOM 0 H VAL A 88 0.024 9.765 -0.126 1.00 0.00 H new ATOM 0 HA VAL A 88 2.233 11.107 1.204 1.00 0.00 H new ATOM 0 HB VAL A 88 2.448 9.352 2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.602 10.066 4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.328 11.436 3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.233 10.769 2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.570 7.822 3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.263 8.415 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.279 7.539 1.780 1.00 0.00 H new ATOM 1284 N SER A 89 3.808 9.316 0.297 1.00 0.00 N ATOM 1285 CA SER A 89 4.689 8.443 -0.472 1.00 0.00 C ATOM 1286 C SER A 89 5.850 7.948 0.383 1.00 0.00 C ATOM 1287 O SER A 89 6.454 8.714 1.134 1.00 0.00 O ATOM 1288 CB SER A 89 5.223 9.184 -1.697 1.00 0.00 C ATOM 1289 OG SER A 89 4.166 9.612 -2.538 1.00 0.00 O ATOM 0 H SER A 89 4.293 10.010 0.865 1.00 0.00 H new ATOM 0 HA SER A 89 4.111 7.579 -0.798 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.809 10.046 -1.377 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.894 8.532 -2.256 1.00 0.00 H new ATOM 0 HG SER A 89 4.535 10.085 -3.313 1.00 0.00 H new ATOM 1295 N PHE A 90 6.150 6.659 0.267 1.00 0.00 N ATOM 1296 CA PHE A 90 7.232 6.044 1.030 1.00 0.00 C ATOM 1297 C PHE A 90 8.576 6.200 0.323 1.00 0.00 C ATOM 1298 O PHE A 90 8.689 5.954 -0.878 1.00 0.00 O ATOM 1299 CB PHE A 90 6.939 4.561 1.246 1.00 0.00 C ATOM 1300 CG PHE A 90 7.973 3.860 2.078 1.00 0.00 C ATOM 1301 CD1 PHE A 90 8.146 4.189 3.412 1.00 0.00 C ATOM 1302 CD2 PHE A 90 8.765 2.865 1.527 1.00 0.00 C ATOM 1303 CE1 PHE A 90 9.092 3.540 4.182 1.00 0.00 C ATOM 1304 CE2 PHE A 90 9.711 2.212 2.293 1.00 0.00 C ATOM 1305 CZ PHE A 90 9.874 2.550 3.622 1.00 0.00 C ATOM 0 H PHE A 90 5.656 6.016 -0.352 1.00 0.00 H new ATOM 0 HA PHE A 90 7.292 6.554 1.992 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.966 4.458 1.727 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.869 4.068 0.276 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.535 4.961 3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.641 2.597 0.488 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.219 3.807 5.221 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.322 1.438 1.853 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.613 2.040 4.223 1.00 0.00 H new ATOM 1315 N LYS A 91 9.596 6.596 1.081 1.00 0.00 N ATOM 1316 CA LYS A 91 10.938 6.765 0.531 1.00 0.00 C ATOM 1317 C LYS A 91 11.688 5.434 0.532 1.00 0.00 C ATOM 1318 O LYS A 91 11.806 4.780 1.570 1.00 0.00 O ATOM 1319 CB LYS A 91 11.718 7.804 1.341 1.00 0.00 C ATOM 1320 CG LYS A 91 13.111 8.084 0.799 1.00 0.00 C ATOM 1321 CD LYS A 91 13.857 9.079 1.673 1.00 0.00 C ATOM 1322 CE LYS A 91 15.259 9.343 1.146 1.00 0.00 C ATOM 1323 NZ LYS A 91 16.009 10.288 2.019 1.00 0.00 N ATOM 0 H LYS A 91 9.519 6.805 2.076 1.00 0.00 H new ATOM 0 HA LYS A 91 10.846 7.115 -0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.152 8.735 1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.802 7.460 2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.675 7.153 0.742 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.036 8.474 -0.216 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.301 10.016 1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.916 8.697 2.692 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.804 8.402 1.076 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.197 9.751 0.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.960 10.443 1.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.502 11.195 2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.090 9.887 2.975 1.00 0.00 H new ATOM 1337 N LEU A 92 12.192 5.035 -0.633 1.00 0.00 N ATOM 1338 CA LEU A 92 12.928 3.779 -0.758 1.00 0.00 C ATOM 1339 C LEU A 92 14.401 3.962 -0.402 1.00 0.00 C ATOM 1340 O LEU A 92 15.048 4.906 -0.857 1.00 0.00 O ATOM 1341 CB LEU A 92 12.805 3.218 -2.179 1.00 0.00 C ATOM 1342 CG LEU A 92 11.428 2.661 -2.559 1.00 0.00 C ATOM 1343 CD1 LEU A 92 11.015 1.559 -1.597 1.00 0.00 C ATOM 1344 CD2 LEU A 92 10.382 3.767 -2.591 1.00 0.00 C ATOM 0 H LEU A 92 12.105 5.561 -1.502 1.00 0.00 H new ATOM 0 HA LEU A 92 12.488 3.071 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 92 13.064 4.007 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.543 2.425 -2.302 1.00 0.00 H new ATOM 0 HG LEU A 92 11.499 2.236 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.035 1.175 -1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.746 0.751 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.967 1.959 -0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.415 3.345 -2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.312 4.230 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.670 4.519 -3.326 1.00 0.00 H new ATOM 1356 N LEU A 93 14.926 3.044 0.406 1.00 0.00 N ATOM 1357 CA LEU A 93 16.324 3.094 0.817 1.00 0.00 C ATOM 1358 C LEU A 93 17.125 1.991 0.132 1.00 0.00 C ATOM 1359 O LEU A 93 16.690 0.841 0.076 1.00 0.00 O ATOM 1360 CB LEU A 93 16.441 2.960 2.337 1.00 0.00 C ATOM 1361 CG LEU A 93 15.688 4.020 3.145 1.00 0.00 C ATOM 1362 CD1 LEU A 93 15.899 3.804 4.635 1.00 0.00 C ATOM 1363 CD2 LEU A 93 16.132 5.419 2.742 1.00 0.00 C ATOM 0 H LEU A 93 14.403 2.256 0.789 1.00 0.00 H new ATOM 0 HA LEU A 93 16.732 4.059 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 93 16.074 1.976 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.496 3.000 2.609 1.00 0.00 H new ATOM 0 HG LEU A 93 14.624 3.922 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.356 4.567 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.530 2.817 4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 93 16.962 3.873 4.866 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.585 6.157 3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 93 17.201 5.529 2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.929 5.574 1.682 1.00 0.00 H new ATOM 1375 N LYS A 94 18.293 2.348 -0.391 1.00 0.00 N ATOM 1376 CA LYS A 94 19.151 1.385 -1.073 1.00 0.00 C ATOM 1377 C LYS A 94 19.660 0.327 -0.093 1.00 0.00 C ATOM 1378 O LYS A 94 20.268 0.663 0.924 1.00 0.00 O ATOM 1379 CB LYS A 94 20.337 2.104 -1.720 1.00 0.00 C ATOM 1380 CG LYS A 94 21.154 1.224 -2.651 1.00 0.00 C ATOM 1381 CD LYS A 94 20.405 0.935 -3.943 1.00 0.00 C ATOM 1382 CE LYS A 94 21.179 -0.022 -4.833 1.00 0.00 C ATOM 1383 NZ LYS A 94 22.512 0.525 -5.208 1.00 0.00 N ATOM 0 H LYS A 94 18.667 3.296 -0.356 1.00 0.00 H new ATOM 0 HA LYS A 94 18.564 0.890 -1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 94 19.968 2.964 -2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.988 2.490 -0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 94 22.100 1.714 -2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 94 21.393 0.286 -2.150 1.00 0.00 H new ATOM 0 HD2 LYS A 94 19.429 0.509 -3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 94 20.227 1.868 -4.478 1.00 0.00 H new ATOM 0 HE2 LYS A 94 21.309 -0.973 -4.317 1.00 0.00 H new ATOM 0 HE3 LYS A 94 20.603 -0.225 -5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 22.930 -0.063 -5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 22.403 1.500 -5.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 23.136 0.520 -4.376 1.00 0.00 H new ATOM 1397 N PRO A 95 19.424 -0.970 -0.380 1.00 0.00 N ATOM 1398 CA PRO A 95 19.871 -2.061 0.494 1.00 0.00 C ATOM 1399 C PRO A 95 21.389 -2.155 0.573 1.00 0.00 C ATOM 1400 O PRO A 95 22.077 -2.127 -0.447 1.00 0.00 O ATOM 1401 CB PRO A 95 19.300 -3.318 -0.166 1.00 0.00 C ATOM 1402 CG PRO A 95 19.062 -2.935 -1.585 1.00 0.00 C ATOM 1403 CD PRO A 95 18.708 -1.474 -1.567 1.00 0.00 C ATOM 0 HA PRO A 95 19.535 -1.914 1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 95 19.997 -4.153 -0.094 1.00 0.00 H new ATOM 0 HB3 PRO A 95 18.375 -3.633 0.318 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.950 -3.114 -2.191 1.00 0.00 H new ATOM 0 HG3 PRO A 95 18.256 -3.526 -2.019 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.032 -0.970 -2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 95 17.632 -1.321 -1.484 1.00 0.00 H new