USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 485 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 53 SER OG : rot 180:sc= 1.12 USER MOD Set 1.2: A 56 THR OG1 : rot 74:sc= 0.986 USER MOD Set 2.1: A 37 SER OG : rot -172:sc= 1.12 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.724 K(o=1.8,f=-0.56) USER MOD Set 3.1: A 26 SER OG : rot 36:sc= 0.195 USER MOD Set 3.2: A 27 LYS NZ :NH3+ -134:sc= 0.0929 (180deg=-0.205) USER MOD Single : A 3 GLN : amide:sc= -0.0659 X(o=-0.066,f=-0.029) USER MOD Single : A 5 THR OG1 : rot -140:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 12 MET CE :methyl -150:sc= -0.227 (180deg=-0.23) USER MOD Single : A 16 SER OG : rot -27:sc= 0.0154 USER MOD Single : A 17 CYS SG : rot 156:sc= 0.0035 USER MOD Single : A 19 GLN : amide:sc= -1.53 X(o=-1.5,f=-1.5) USER MOD Single : A 20 SER OG : rot 73:sc= 0.886 USER MOD Single : A 28 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 SER OG : rot 126:sc= 0.149 USER MOD Single : A 41 SER OG : rot 9:sc= 0.584 USER MOD Single : A 42 ASN : amide:sc= -0.343 K(o=-0.34,f=-2.3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -171:sc= -0.0219 (180deg=-0.234) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 1.501 -19.660 1.230 1.00 0.00 N ATOM 37 CA GLN A 3 0.145 -19.129 1.142 1.00 0.00 C ATOM 38 C GLN A 3 0.183 -17.613 1.329 1.00 0.00 C ATOM 39 O GLN A 3 1.175 -17.067 1.813 1.00 0.00 O ATOM 40 CB GLN A 3 -0.747 -19.769 2.219 1.00 0.00 C ATOM 41 CG GLN A 3 -1.103 -21.236 1.944 1.00 0.00 C ATOM 42 CD GLN A 3 -2.069 -21.388 0.771 1.00 0.00 C ATOM 43 OE1 GLN A 3 -3.281 -21.303 0.950 1.00 0.00 O ATOM 44 NE2 GLN A 3 -1.543 -21.620 -0.433 1.00 0.00 N ATOM 0 HA GLN A 3 -0.270 -19.364 0.162 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.240 -19.703 3.182 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.668 -19.192 2.303 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.191 -21.796 1.736 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.548 -21.673 2.838 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.531 -21.684 -0.544 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.153 -21.733 -1.243 1.00 0.00 H new ATOM 53 N GLU A 4 -0.912 -16.943 0.949 1.00 0.00 N ATOM 54 CA GLU A 4 -1.129 -15.519 1.157 1.00 0.00 C ATOM 55 C GLU A 4 -2.433 -15.337 1.932 1.00 0.00 C ATOM 56 O GLU A 4 -3.398 -16.058 1.684 1.00 0.00 O ATOM 57 CB GLU A 4 -1.162 -14.791 -0.195 1.00 0.00 C ATOM 58 CG GLU A 4 -1.247 -13.268 -0.020 1.00 0.00 C ATOM 59 CD GLU A 4 -1.224 -12.548 -1.364 1.00 0.00 C ATOM 60 OE1 GLU A 4 -2.320 -12.405 -1.951 1.00 0.00 O ATOM 61 OE2 GLU A 4 -0.115 -12.151 -1.781 1.00 0.00 O ATOM 0 H GLU A 4 -1.692 -17.398 0.474 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.314 -15.086 1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.268 -15.042 -0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.017 -15.139 -0.774 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.162 -13.013 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.413 -12.924 0.592 1.00 0.00 H new ATOM 68 N THR A 5 -2.453 -14.383 2.871 1.00 0.00 N ATOM 69 CA THR A 5 -3.615 -14.065 3.690 1.00 0.00 C ATOM 70 C THR A 5 -3.775 -12.551 3.782 1.00 0.00 C ATOM 71 O THR A 5 -2.798 -11.836 3.998 1.00 0.00 O ATOM 72 CB THR A 5 -3.492 -14.714 5.082 1.00 0.00 C ATOM 73 OG1 THR A 5 -4.644 -14.441 5.852 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.271 -14.236 5.879 1.00 0.00 C ATOM 0 H THR A 5 -1.642 -13.802 3.082 1.00 0.00 H new ATOM 0 HA THR A 5 -4.511 -14.475 3.224 1.00 0.00 H new ATOM 0 HB THR A 5 -3.377 -15.782 4.896 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.382 -14.254 6.778 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.250 -14.736 6.848 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.361 -14.474 5.328 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.333 -13.158 6.028 1.00 0.00 H new ATOM 82 N VAL A 6 -5.015 -12.074 3.627 1.00 0.00 N ATOM 83 CA VAL A 6 -5.389 -10.691 3.853 1.00 0.00 C ATOM 84 C VAL A 6 -6.023 -10.626 5.239 1.00 0.00 C ATOM 85 O VAL A 6 -6.978 -11.349 5.520 1.00 0.00 O ATOM 86 CB VAL A 6 -6.348 -10.196 2.757 1.00 0.00 C ATOM 87 CG1 VAL A 6 -6.696 -8.716 2.974 1.00 0.00 C ATOM 88 CG2 VAL A 6 -5.726 -10.358 1.365 1.00 0.00 C ATOM 0 H VAL A 6 -5.797 -12.659 3.334 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.519 -10.035 3.808 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.253 -10.801 2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.375 -8.383 2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.176 -8.594 3.945 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.784 -8.119 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.426 -10.000 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.804 -9.779 1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.505 -11.410 1.185 1.00 0.00 H new ATOM 98 N ILE A 7 -5.477 -9.766 6.103 1.00 0.00 N ATOM 99 CA ILE A 7 -5.955 -9.532 7.455 1.00 0.00 C ATOM 100 C ILE A 7 -6.317 -8.052 7.528 1.00 0.00 C ATOM 101 O ILE A 7 -5.451 -7.211 7.308 1.00 0.00 O ATOM 102 CB ILE A 7 -4.857 -9.913 8.471 1.00 0.00 C ATOM 103 CG1 ILE A 7 -4.428 -11.378 8.260 1.00 0.00 C ATOM 104 CG2 ILE A 7 -5.351 -9.691 9.910 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.382 -11.862 9.270 1.00 0.00 C ATOM 0 H ILE A 7 -4.664 -9.198 5.866 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.825 -10.142 7.698 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.991 -9.271 8.309 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.308 -12.018 8.325 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.027 -11.489 7.253 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.563 -9.965 10.612 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.610 -8.641 10.048 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -6.230 -10.309 10.092 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.128 -12.901 9.061 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.486 -11.246 9.190 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.787 -11.784 10.279 1.00 0.00 H new ATOM 117 N ASN A 8 -7.578 -7.723 7.825 1.00 0.00 N ATOM 118 CA ASN A 8 -8.015 -6.342 7.983 1.00 0.00 C ATOM 119 C ASN A 8 -7.482 -5.811 9.310 1.00 0.00 C ATOM 120 O ASN A 8 -7.652 -6.462 10.338 1.00 0.00 O ATOM 121 CB ASN A 8 -9.545 -6.244 7.923 1.00 0.00 C ATOM 122 CG ASN A 8 -10.104 -6.693 6.575 1.00 0.00 C ATOM 123 OD1 ASN A 8 -9.409 -6.672 5.561 1.00 0.00 O ATOM 124 ND2 ASN A 8 -11.368 -7.122 6.561 1.00 0.00 N ATOM 0 H ASN A 8 -8.320 -8.409 7.962 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.622 -5.736 7.166 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -9.977 -6.856 8.715 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.848 -5.215 8.115 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -11.787 -7.447 5.689 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -11.915 -7.125 7.422 1.00 0.00 H new ATOM 131 N ILE A 9 -6.830 -4.641 9.273 1.00 0.00 N ATOM 132 CA ILE A 9 -6.191 -4.014 10.420 1.00 0.00 C ATOM 133 C ILE A 9 -6.812 -2.631 10.597 1.00 0.00 C ATOM 134 O ILE A 9 -6.550 -1.730 9.803 1.00 0.00 O ATOM 135 CB ILE A 9 -4.662 -3.913 10.230 1.00 0.00 C ATOM 136 CG1 ILE A 9 -4.036 -5.249 9.794 1.00 0.00 C ATOM 137 CG2 ILE A 9 -4.042 -3.439 11.553 1.00 0.00 C ATOM 138 CD1 ILE A 9 -2.538 -5.130 9.497 1.00 0.00 C ATOM 0 H ILE A 9 -6.734 -4.096 8.416 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.353 -4.620 11.312 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.457 -3.200 9.431 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.189 -5.990 10.578 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.551 -5.614 8.905 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.961 -3.361 11.441 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.451 -2.464 11.818 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.274 -4.156 12.341 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.149 -6.102 9.194 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.382 -4.410 8.693 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.015 -4.793 10.392 1.00 0.00 H new ATOM 150 N ASP A 10 -7.619 -2.465 11.648 1.00 0.00 N ATOM 151 CA ASP A 10 -8.198 -1.185 12.024 1.00 0.00 C ATOM 152 C ASP A 10 -7.370 -0.592 13.165 1.00 0.00 C ATOM 153 O ASP A 10 -6.842 -1.325 14.001 1.00 0.00 O ATOM 154 CB ASP A 10 -9.667 -1.390 12.419 1.00 0.00 C ATOM 155 CG ASP A 10 -10.299 -0.104 12.945 1.00 0.00 C ATOM 156 OD1 ASP A 10 -10.476 0.820 12.123 1.00 0.00 O ATOM 157 OD2 ASP A 10 -10.587 -0.066 14.161 1.00 0.00 O ATOM 0 H ASP A 10 -7.889 -3.230 12.266 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.178 -0.484 11.190 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.229 -1.744 11.555 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.733 -2.166 13.182 1.00 0.00 H new ATOM 162 N GLY A 11 -7.249 0.741 13.185 1.00 0.00 N ATOM 163 CA GLY A 11 -6.506 1.473 14.200 1.00 0.00 C ATOM 164 C GLY A 11 -5.133 1.950 13.721 1.00 0.00 C ATOM 165 O GLY A 11 -4.479 2.699 14.445 1.00 0.00 O ATOM 0 H GLY A 11 -7.674 1.345 12.482 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.092 2.336 14.517 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.376 0.836 15.075 1.00 0.00 H new ATOM 169 N MET A 12 -4.687 1.546 12.519 1.00 0.00 N ATOM 170 CA MET A 12 -3.412 1.989 11.960 1.00 0.00 C ATOM 171 C MET A 12 -3.382 3.514 11.865 1.00 0.00 C ATOM 172 O MET A 12 -2.462 4.145 12.380 1.00 0.00 O ATOM 173 CB MET A 12 -3.157 1.353 10.587 1.00 0.00 C ATOM 174 CG MET A 12 -3.128 -0.175 10.668 1.00 0.00 C ATOM 175 SD MET A 12 -2.370 -1.008 9.247 1.00 0.00 S ATOM 176 CE MET A 12 -3.572 -0.622 7.956 1.00 0.00 C ATOM 0 H MET A 12 -5.203 0.906 11.915 1.00 0.00 H new ATOM 0 HA MET A 12 -2.614 1.663 12.627 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.935 1.666 9.891 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.209 1.714 10.189 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.588 -0.465 11.569 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.150 -0.537 10.778 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.584 -1.425 7.219 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.563 -0.521 8.399 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.296 0.313 7.470 1.00 0.00 H new ATOM 225 N SER A 16 2.981 6.015 9.325 1.00 0.00 N ATOM 226 CA SER A 16 4.055 5.549 10.194 1.00 0.00 C ATOM 227 C SER A 16 3.698 4.199 10.820 1.00 0.00 C ATOM 228 O SER A 16 4.547 3.313 10.887 1.00 0.00 O ATOM 229 CB SER A 16 4.405 6.604 11.250 1.00 0.00 C ATOM 230 OG SER A 16 3.317 6.854 12.110 1.00 0.00 O ATOM 0 HA SER A 16 4.949 5.398 9.589 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.261 6.266 11.834 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.701 7.530 10.757 1.00 0.00 H new ATOM 0 HG SER A 16 2.478 6.658 11.642 1.00 0.00 H new ATOM 236 N CYS A 17 2.442 4.033 11.257 1.00 0.00 N ATOM 237 CA CYS A 17 1.945 2.765 11.778 1.00 0.00 C ATOM 238 C CYS A 17 2.007 1.688 10.698 1.00 0.00 C ATOM 239 O CYS A 17 2.538 0.609 10.943 1.00 0.00 O ATOM 240 CB CYS A 17 0.513 2.916 12.301 1.00 0.00 C ATOM 241 SG CYS A 17 0.494 3.981 13.766 1.00 0.00 S ATOM 0 H CYS A 17 1.746 4.779 11.257 1.00 0.00 H new ATOM 0 HA CYS A 17 2.581 2.463 12.610 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.123 3.341 11.525 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.103 1.937 12.548 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.683 4.516 13.898 1.00 0.00 H new ATOM 247 N VAL A 18 1.477 1.987 9.505 1.00 0.00 N ATOM 248 CA VAL A 18 1.514 1.101 8.344 1.00 0.00 C ATOM 249 C VAL A 18 2.943 0.613 8.075 1.00 0.00 C ATOM 250 O VAL A 18 3.169 -0.588 7.934 1.00 0.00 O ATOM 251 CB VAL A 18 0.896 1.833 7.138 1.00 0.00 C ATOM 252 CG1 VAL A 18 1.210 1.170 5.792 1.00 0.00 C ATOM 253 CG2 VAL A 18 -0.626 1.901 7.307 1.00 0.00 C ATOM 0 H VAL A 18 1.002 2.871 9.321 1.00 0.00 H new ATOM 0 HA VAL A 18 0.922 0.206 8.536 1.00 0.00 H new ATOM 0 HB VAL A 18 1.342 2.828 7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.743 1.739 4.988 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.289 1.147 5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.821 0.152 5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.064 2.419 6.454 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.031 0.891 7.365 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.867 2.442 8.222 1.00 0.00 H new ATOM 263 N GLN A 19 3.900 1.547 8.020 1.00 0.00 N ATOM 264 CA GLN A 19 5.314 1.265 7.819 1.00 0.00 C ATOM 265 C GLN A 19 5.841 0.334 8.915 1.00 0.00 C ATOM 266 O GLN A 19 6.480 -0.668 8.608 1.00 0.00 O ATOM 267 CB GLN A 19 6.082 2.596 7.753 1.00 0.00 C ATOM 268 CG GLN A 19 7.595 2.445 7.524 1.00 0.00 C ATOM 269 CD GLN A 19 8.363 1.977 8.761 1.00 0.00 C ATOM 270 OE1 GLN A 19 9.068 0.973 8.713 1.00 0.00 O ATOM 271 NE2 GLN A 19 8.232 2.701 9.876 1.00 0.00 N ATOM 0 H GLN A 19 3.701 2.543 8.117 1.00 0.00 H new ATOM 0 HA GLN A 19 5.463 0.740 6.875 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.664 3.203 6.950 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.920 3.142 8.683 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.761 1.735 6.714 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.001 3.402 7.197 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.637 3.530 9.879 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.727 2.425 10.724 1.00 0.00 H new ATOM 280 N SER A 20 5.581 0.666 10.186 1.00 0.00 N ATOM 281 CA SER A 20 6.056 -0.108 11.324 1.00 0.00 C ATOM 282 C SER A 20 5.565 -1.555 11.251 1.00 0.00 C ATOM 283 O SER A 20 6.358 -2.480 11.408 1.00 0.00 O ATOM 284 CB SER A 20 5.624 0.554 12.637 1.00 0.00 C ATOM 285 OG SER A 20 6.158 1.859 12.727 1.00 0.00 O ATOM 0 H SER A 20 5.032 1.485 10.448 1.00 0.00 H new ATOM 0 HA SER A 20 7.145 -0.129 11.292 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.536 0.594 12.691 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.963 -0.044 13.483 1.00 0.00 H new ATOM 0 HG SER A 20 5.680 2.451 12.110 1.00 0.00 H new ATOM 291 N ILE A 21 4.264 -1.748 11.001 1.00 0.00 N ATOM 292 CA ILE A 21 3.654 -3.065 10.873 1.00 0.00 C ATOM 293 C ILE A 21 4.330 -3.834 9.736 1.00 0.00 C ATOM 294 O ILE A 21 4.745 -4.973 9.938 1.00 0.00 O ATOM 295 CB ILE A 21 2.133 -2.936 10.660 1.00 0.00 C ATOM 296 CG1 ILE A 21 1.464 -2.301 11.894 1.00 0.00 C ATOM 297 CG2 ILE A 21 1.494 -4.310 10.395 1.00 0.00 C ATOM 298 CD1 ILE A 21 0.099 -1.705 11.545 1.00 0.00 C ATOM 0 H ILE A 21 3.603 -0.981 10.882 1.00 0.00 H new ATOM 0 HA ILE A 21 3.801 -3.628 11.795 1.00 0.00 H new ATOM 0 HB ILE A 21 1.978 -2.296 9.791 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.345 -3.054 12.673 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.110 -1.522 12.299 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.421 -4.190 10.248 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.935 -4.750 9.501 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.673 -4.965 11.248 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.345 -1.265 12.438 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.222 -0.934 10.784 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.554 -2.490 11.164 1.00 0.00 H new ATOM 310 N GLU A 22 4.446 -3.211 8.556 1.00 0.00 N ATOM 311 CA GLU A 22 5.081 -3.798 7.383 1.00 0.00 C ATOM 312 C GLU A 22 6.471 -4.329 7.747 1.00 0.00 C ATOM 313 O GLU A 22 6.749 -5.512 7.557 1.00 0.00 O ATOM 314 CB GLU A 22 5.111 -2.751 6.253 1.00 0.00 C ATOM 315 CG GLU A 22 5.459 -3.317 4.868 1.00 0.00 C ATOM 316 CD GLU A 22 6.903 -3.804 4.759 1.00 0.00 C ATOM 317 OE1 GLU A 22 7.802 -2.987 5.052 1.00 0.00 O ATOM 318 OE2 GLU A 22 7.086 -4.981 4.383 1.00 0.00 O ATOM 0 H GLU A 22 4.093 -2.268 8.393 1.00 0.00 H new ATOM 0 HA GLU A 22 4.510 -4.654 7.023 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.136 -2.266 6.199 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.837 -1.980 6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.786 -4.144 4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.284 -2.549 4.115 1.00 0.00 H new ATOM 325 N GLY A 23 7.328 -3.455 8.287 1.00 0.00 N ATOM 326 CA GLY A 23 8.695 -3.776 8.661 1.00 0.00 C ATOM 327 C GLY A 23 8.768 -4.930 9.659 1.00 0.00 C ATOM 328 O GLY A 23 9.458 -5.915 9.407 1.00 0.00 O ATOM 0 H GLY A 23 7.077 -2.485 8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.262 -4.035 7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.167 -2.894 9.094 1.00 0.00 H new ATOM 332 N VAL A 24 8.064 -4.809 10.792 1.00 0.00 N ATOM 333 CA VAL A 24 8.104 -5.792 11.869 1.00 0.00 C ATOM 334 C VAL A 24 7.612 -7.155 11.378 1.00 0.00 C ATOM 335 O VAL A 24 8.336 -8.143 11.499 1.00 0.00 O ATOM 336 CB VAL A 24 7.303 -5.283 13.083 1.00 0.00 C ATOM 337 CG1 VAL A 24 7.136 -6.376 14.147 1.00 0.00 C ATOM 338 CG2 VAL A 24 8.021 -4.090 13.731 1.00 0.00 C ATOM 0 H VAL A 24 7.448 -4.019 10.983 1.00 0.00 H new ATOM 0 HA VAL A 24 9.136 -5.927 12.192 1.00 0.00 H new ATOM 0 HB VAL A 24 6.320 -4.986 12.717 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.566 -5.981 14.988 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.605 -7.225 13.716 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.118 -6.699 14.494 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.445 -3.740 14.587 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.013 -4.398 14.062 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.116 -3.284 13.004 1.00 0.00 H new ATOM 348 N ILE A 25 6.390 -7.212 10.835 1.00 0.00 N ATOM 349 CA ILE A 25 5.768 -8.464 10.427 1.00 0.00 C ATOM 350 C ILE A 25 6.587 -9.160 9.336 1.00 0.00 C ATOM 351 O ILE A 25 6.703 -10.383 9.372 1.00 0.00 O ATOM 352 CB ILE A 25 4.292 -8.254 10.039 1.00 0.00 C ATOM 353 CG1 ILE A 25 3.447 -7.679 11.195 1.00 0.00 C ATOM 354 CG2 ILE A 25 3.663 -9.566 9.546 1.00 0.00 C ATOM 355 CD1 ILE A 25 3.290 -8.606 12.407 1.00 0.00 C ATOM 0 H ILE A 25 5.810 -6.389 10.669 1.00 0.00 H new ATOM 0 HA ILE A 25 5.763 -9.141 11.282 1.00 0.00 H new ATOM 0 HB ILE A 25 4.291 -7.521 9.232 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.901 -6.745 11.527 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.456 -7.434 10.813 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.621 -9.392 9.278 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.207 -9.925 8.672 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.714 -10.314 10.337 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.681 -8.114 13.165 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.805 -9.532 12.097 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.272 -8.832 12.822 1.00 0.00 H new ATOM 367 N SER A 26 7.174 -8.406 8.393 1.00 0.00 N ATOM 368 CA SER A 26 8.042 -8.960 7.356 1.00 0.00 C ATOM 369 C SER A 26 9.131 -9.872 7.935 1.00 0.00 C ATOM 370 O SER A 26 9.453 -10.896 7.334 1.00 0.00 O ATOM 371 CB SER A 26 8.675 -7.836 6.528 1.00 0.00 C ATOM 372 OG SER A 26 9.443 -8.377 5.472 1.00 0.00 O ATOM 0 H SER A 26 7.056 -7.395 8.333 1.00 0.00 H new ATOM 0 HA SER A 26 7.416 -9.573 6.708 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.896 -7.189 6.125 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.306 -7.217 7.165 1.00 0.00 H new ATOM 0 HG SER A 26 9.004 -9.183 5.128 1.00 0.00 H new ATOM 378 N LYS A 27 9.691 -9.506 9.096 1.00 0.00 N ATOM 379 CA LYS A 27 10.817 -10.204 9.706 1.00 0.00 C ATOM 380 C LYS A 27 10.375 -11.338 10.642 1.00 0.00 C ATOM 381 O LYS A 27 11.236 -12.026 11.189 1.00 0.00 O ATOM 382 CB LYS A 27 11.687 -9.196 10.473 1.00 0.00 C ATOM 383 CG LYS A 27 12.255 -8.053 9.617 1.00 0.00 C ATOM 384 CD LYS A 27 13.262 -8.512 8.549 1.00 0.00 C ATOM 385 CE LYS A 27 12.660 -8.640 7.143 1.00 0.00 C ATOM 386 NZ LYS A 27 12.242 -7.336 6.599 1.00 0.00 N ATOM 0 H LYS A 27 9.366 -8.706 9.640 1.00 0.00 H new ATOM 0 HA LYS A 27 11.392 -10.665 8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.094 -8.766 11.281 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.516 -9.731 10.936 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.430 -7.536 9.126 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.740 -7.329 10.272 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.090 -7.804 8.516 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.677 -9.475 8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.393 -9.093 6.475 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.801 -9.311 7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.293 -7.422 6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.222 -6.631 7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.916 -7.033 5.867 1.00 0.00 H new ATOM 400 N LYS A 28 9.066 -11.561 10.835 1.00 0.00 N ATOM 401 CA LYS A 28 8.583 -12.661 11.663 1.00 0.00 C ATOM 402 C LYS A 28 8.859 -13.994 10.955 1.00 0.00 C ATOM 403 O LYS A 28 8.788 -14.054 9.727 1.00 0.00 O ATOM 404 CB LYS A 28 7.082 -12.502 11.947 1.00 0.00 C ATOM 405 CG LYS A 28 6.760 -11.267 12.797 1.00 0.00 C ATOM 406 CD LYS A 28 7.121 -11.449 14.277 1.00 0.00 C ATOM 407 CE LYS A 28 6.780 -10.172 15.051 1.00 0.00 C ATOM 408 NZ LYS A 28 7.075 -10.318 16.486 1.00 0.00 N ATOM 0 H LYS A 28 8.327 -10.989 10.425 1.00 0.00 H new ATOM 0 HA LYS A 28 9.110 -12.648 12.617 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.544 -12.436 11.001 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.718 -13.393 12.459 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.300 -10.408 12.400 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.697 -11.042 12.713 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.575 -12.295 14.693 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.183 -11.674 14.378 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.349 -9.336 14.644 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.725 -9.935 14.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.833 -9.436 16.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.514 -11.101 16.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.087 -10.520 16.614 1.00 0.00 H new ATOM 422 N PRO A 29 9.176 -15.065 11.702 1.00 0.00 N ATOM 423 CA PRO A 29 9.501 -16.360 11.127 1.00 0.00 C ATOM 424 C PRO A 29 8.290 -16.916 10.379 1.00 0.00 C ATOM 425 O PRO A 29 7.191 -16.971 10.928 1.00 0.00 O ATOM 426 CB PRO A 29 9.915 -17.249 12.303 1.00 0.00 C ATOM 427 CG PRO A 29 9.203 -16.616 13.498 1.00 0.00 C ATOM 428 CD PRO A 29 9.220 -15.126 13.153 1.00 0.00 C ATOM 0 HA PRO A 29 10.308 -16.302 10.397 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.605 -18.283 12.153 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.997 -17.257 12.439 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.187 -16.994 13.610 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.724 -16.820 14.434 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.366 -14.611 13.594 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.118 -14.644 13.539 1.00 0.00 H new ATOM 436 N GLY A 30 8.505 -17.303 9.119 1.00 0.00 N ATOM 437 CA GLY A 30 7.459 -17.777 8.229 1.00 0.00 C ATOM 438 C GLY A 30 7.068 -16.719 7.205 1.00 0.00 C ATOM 439 O GLY A 30 6.806 -17.067 6.055 1.00 0.00 O ATOM 0 H GLY A 30 9.429 -17.293 8.688 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.800 -18.675 7.713 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.583 -18.058 8.814 1.00 0.00 H new ATOM 443 N VAL A 31 7.024 -15.441 7.605 1.00 0.00 N ATOM 444 CA VAL A 31 6.658 -14.353 6.710 1.00 0.00 C ATOM 445 C VAL A 31 7.795 -14.089 5.724 1.00 0.00 C ATOM 446 O VAL A 31 8.967 -14.120 6.101 1.00 0.00 O ATOM 447 CB VAL A 31 6.307 -13.078 7.494 1.00 0.00 C ATOM 448 CG1 VAL A 31 5.863 -11.964 6.534 1.00 0.00 C ATOM 449 CG2 VAL A 31 5.166 -13.354 8.475 1.00 0.00 C ATOM 0 H VAL A 31 7.241 -15.141 8.555 1.00 0.00 H new ATOM 0 HA VAL A 31 5.768 -14.648 6.154 1.00 0.00 H new ATOM 0 HB VAL A 31 7.197 -12.764 8.039 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.618 -11.068 7.105 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.671 -11.741 5.837 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.985 -12.292 5.978 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.929 -12.442 9.023 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.286 -13.686 7.925 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.470 -14.130 9.177 1.00 0.00 H new ATOM 459 N LYS A 32 7.427 -13.820 4.468 1.00 0.00 N ATOM 460 CA LYS A 32 8.330 -13.383 3.419 1.00 0.00 C ATOM 461 C LYS A 32 8.067 -11.894 3.182 1.00 0.00 C ATOM 462 O LYS A 32 8.565 -11.059 3.938 1.00 0.00 O ATOM 463 CB LYS A 32 8.133 -14.264 2.174 1.00 0.00 C ATOM 464 CG LYS A 32 8.512 -15.721 2.470 1.00 0.00 C ATOM 465 CD LYS A 32 8.398 -16.574 1.202 1.00 0.00 C ATOM 466 CE LYS A 32 8.740 -18.035 1.509 1.00 0.00 C ATOM 467 NZ LYS A 32 8.673 -18.864 0.295 1.00 0.00 N ATOM 0 H LYS A 32 6.461 -13.905 4.152 1.00 0.00 H new ATOM 0 HA LYS A 32 9.379 -13.496 3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.094 -14.213 1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.743 -13.884 1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.530 -15.767 2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.859 -16.122 3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.387 -16.507 0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.071 -16.190 0.436 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.740 -18.095 1.938 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.048 -18.424 2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.909 -19.848 0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.712 -18.825 -0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.351 -18.506 -0.408 1.00 0.00 H new ATOM 481 N SER A 33 7.283 -11.557 2.152 1.00 0.00 N ATOM 482 CA SER A 33 6.849 -10.198 1.870 1.00 0.00 C ATOM 483 C SER A 33 5.522 -9.910 2.573 1.00 0.00 C ATOM 484 O SER A 33 4.783 -10.826 2.936 1.00 0.00 O ATOM 485 CB SER A 33 6.736 -10.009 0.354 1.00 0.00 C ATOM 486 OG SER A 33 5.887 -10.994 -0.194 1.00 0.00 O ATOM 0 H SER A 33 6.929 -12.240 1.482 1.00 0.00 H new ATOM 0 HA SER A 33 7.582 -9.488 2.253 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.345 -9.016 0.131 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.723 -10.073 -0.103 1.00 0.00 H new ATOM 0 HG SER A 33 5.177 -10.562 -0.714 1.00 0.00 H new ATOM 492 N ILE A 34 5.221 -8.621 2.746 1.00 0.00 N ATOM 493 CA ILE A 34 3.943 -8.138 3.242 1.00 0.00 C ATOM 494 C ILE A 34 3.680 -6.761 2.639 1.00 0.00 C ATOM 495 O ILE A 34 4.594 -5.943 2.546 1.00 0.00 O ATOM 496 CB ILE A 34 3.896 -8.134 4.784 1.00 0.00 C ATOM 497 CG1 ILE A 34 2.556 -7.546 5.263 1.00 0.00 C ATOM 498 CG2 ILE A 34 5.076 -7.382 5.410 1.00 0.00 C ATOM 499 CD1 ILE A 34 2.390 -7.584 6.782 1.00 0.00 C ATOM 0 H ILE A 34 5.880 -7.871 2.538 1.00 0.00 H new ATOM 0 HA ILE A 34 3.145 -8.813 2.932 1.00 0.00 H new ATOM 0 HB ILE A 34 3.979 -9.169 5.117 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.477 -6.514 4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.738 -8.099 4.801 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.991 -7.412 6.496 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.010 -7.854 5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.067 -6.345 5.073 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.425 -7.155 7.053 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.438 -8.617 7.128 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.188 -7.007 7.250 1.00 0.00 H new ATOM 511 N ARG A 35 2.426 -6.520 2.238 1.00 0.00 N ATOM 512 CA ARG A 35 1.950 -5.237 1.753 1.00 0.00 C ATOM 513 C ARG A 35 0.844 -4.732 2.673 1.00 0.00 C ATOM 514 O ARG A 35 -0.281 -5.224 2.612 1.00 0.00 O ATOM 515 CB ARG A 35 1.453 -5.376 0.306 1.00 0.00 C ATOM 516 CG ARG A 35 2.586 -5.185 -0.712 1.00 0.00 C ATOM 517 CD ARG A 35 2.771 -3.716 -1.123 1.00 0.00 C ATOM 518 NE ARG A 35 3.222 -2.857 -0.016 1.00 0.00 N ATOM 519 CZ ARG A 35 2.448 -2.083 0.768 1.00 0.00 C ATOM 520 NH1 ARG A 35 1.129 -1.965 0.565 1.00 0.00 N ATOM 521 NH2 ARG A 35 3.005 -1.421 1.790 1.00 0.00 N ATOM 0 H ARG A 35 1.701 -7.238 2.246 1.00 0.00 H new ATOM 0 HA ARG A 35 2.764 -4.512 1.758 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.005 -6.360 0.169 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.670 -4.641 0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.517 -5.560 -0.288 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.377 -5.783 -1.599 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.496 -3.661 -1.935 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.827 -3.332 -1.511 1.00 0.00 H new ATOM 0 HE ARG A 35 4.224 -2.847 0.177 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.684 -2.470 -0.201 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.570 -1.370 1.177 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.006 -1.506 1.968 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.429 -0.832 2.391 1.00 0.00 H new ATOM 535 N VAL A 36 1.173 -3.745 3.515 1.00 0.00 N ATOM 536 CA VAL A 36 0.226 -3.084 4.399 1.00 0.00 C ATOM 537 C VAL A 36 -0.281 -1.820 3.702 1.00 0.00 C ATOM 538 O VAL A 36 0.518 -0.966 3.319 1.00 0.00 O ATOM 539 CB VAL A 36 0.871 -2.781 5.762 1.00 0.00 C ATOM 540 CG1 VAL A 36 -0.195 -2.303 6.757 1.00 0.00 C ATOM 541 CG2 VAL A 36 1.549 -4.023 6.352 1.00 0.00 C ATOM 0 H VAL A 36 2.123 -3.383 3.597 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.623 -3.737 4.603 1.00 0.00 H new ATOM 0 HB VAL A 36 1.620 -2.006 5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.273 -2.092 7.718 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.668 -1.397 6.377 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.949 -3.080 6.884 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.994 -3.772 7.315 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.809 -4.811 6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.327 -4.370 5.672 1.00 0.00 H new ATOM 551 N SER A 37 -1.604 -1.718 3.528 1.00 0.00 N ATOM 552 CA SER A 37 -2.263 -0.612 2.846 1.00 0.00 C ATOM 553 C SER A 37 -3.031 0.237 3.854 1.00 0.00 C ATOM 554 O SER A 37 -3.858 -0.285 4.600 1.00 0.00 O ATOM 555 CB SER A 37 -3.217 -1.167 1.783 1.00 0.00 C ATOM 556 OG SER A 37 -3.960 -0.120 1.189 1.00 0.00 O ATOM 0 H SER A 37 -2.257 -2.423 3.869 1.00 0.00 H new ATOM 0 HA SER A 37 -1.514 0.016 2.362 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.650 -1.698 1.018 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.895 -1.890 2.236 1.00 0.00 H new ATOM 0 HG SER A 37 -4.653 -0.499 0.608 1.00 0.00 H new ATOM 562 N LEU A 38 -2.769 1.550 3.847 1.00 0.00 N ATOM 563 CA LEU A 38 -3.530 2.539 4.597 1.00 0.00 C ATOM 564 C LEU A 38 -4.950 2.593 4.029 1.00 0.00 C ATOM 565 O LEU A 38 -5.919 2.404 4.763 1.00 0.00 O ATOM 566 CB LEU A 38 -2.811 3.900 4.492 1.00 0.00 C ATOM 567 CG LEU A 38 -3.348 5.050 5.365 1.00 0.00 C ATOM 568 CD1 LEU A 38 -4.698 5.607 4.896 1.00 0.00 C ATOM 569 CD2 LEU A 38 -3.415 4.690 6.854 1.00 0.00 C ATOM 0 H LEU A 38 -2.005 1.956 3.307 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.597 2.276 5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.761 3.748 4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.847 4.221 3.451 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.610 5.843 5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.010 6.413 5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.600 5.991 3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.445 4.813 4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.801 5.540 7.417 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.075 3.834 6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.417 4.440 7.213 1.00 0.00 H new ATOM 581 N ALA A 39 -5.054 2.845 2.717 1.00 0.00 N ATOM 582 CA ALA A 39 -6.302 3.027 1.989 1.00 0.00 C ATOM 583 C ALA A 39 -7.290 1.885 2.234 1.00 0.00 C ATOM 584 O ALA A 39 -8.461 2.138 2.510 1.00 0.00 O ATOM 585 CB ALA A 39 -6.000 3.169 0.495 1.00 0.00 C ATOM 0 H ALA A 39 -4.234 2.930 2.116 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.778 3.935 2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.932 3.305 -0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.355 4.033 0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.498 2.270 0.138 1.00 0.00 H new ATOM 591 N ASN A 40 -6.817 0.636 2.143 1.00 0.00 N ATOM 592 CA ASN A 40 -7.652 -0.545 2.336 1.00 0.00 C ATOM 593 C ASN A 40 -7.687 -0.978 3.805 1.00 0.00 C ATOM 594 O ASN A 40 -8.505 -1.825 4.159 1.00 0.00 O ATOM 595 CB ASN A 40 -7.145 -1.689 1.453 1.00 0.00 C ATOM 596 CG ASN A 40 -7.084 -1.300 -0.021 1.00 0.00 C ATOM 597 OD1 ASN A 40 -6.001 -1.123 -0.574 1.00 0.00 O ATOM 598 ND2 ASN A 40 -8.246 -1.163 -0.663 1.00 0.00 N ATOM 0 H ASN A 40 -5.842 0.421 1.933 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.671 -0.290 2.046 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.153 -1.991 1.788 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.798 -2.553 1.572 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.256 -0.902 -1.649 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.124 -1.319 -0.168 1.00 0.00 H new ATOM 605 N SER A 41 -6.818 -0.406 4.653 1.00 0.00 N ATOM 606 CA SER A 41 -6.725 -0.691 6.079 1.00 0.00 C ATOM 607 C SER A 41 -6.581 -2.193 6.327 1.00 0.00 C ATOM 608 O SER A 41 -7.385 -2.796 7.038 1.00 0.00 O ATOM 609 CB SER A 41 -7.908 -0.063 6.829 1.00 0.00 C ATOM 610 OG SER A 41 -7.850 1.344 6.716 1.00 0.00 O ATOM 0 H SER A 41 -6.140 0.291 4.346 1.00 0.00 H new ATOM 0 HA SER A 41 -5.822 -0.230 6.479 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.848 -0.432 6.419 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.882 -0.355 7.879 1.00 0.00 H new ATOM 0 HG SER A 41 -7.157 1.592 6.069 1.00 0.00 H new ATOM 616 N ASN A 42 -5.551 -2.794 5.721 1.00 0.00 N ATOM 617 CA ASN A 42 -5.307 -4.227 5.799 1.00 0.00 C ATOM 618 C ASN A 42 -3.833 -4.549 5.565 1.00 0.00 C ATOM 619 O ASN A 42 -3.057 -3.682 5.163 1.00 0.00 O ATOM 620 CB ASN A 42 -6.241 -4.988 4.839 1.00 0.00 C ATOM 621 CG ASN A 42 -6.005 -4.712 3.354 1.00 0.00 C ATOM 622 OD1 ASN A 42 -5.037 -4.065 2.963 1.00 0.00 O ATOM 623 ND2 ASN A 42 -6.906 -5.214 2.509 1.00 0.00 N ATOM 0 H ASN A 42 -4.863 -2.291 5.161 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.540 -4.567 6.808 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.127 -6.057 5.017 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.273 -4.733 5.081 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.802 -5.065 1.505 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.699 -5.747 2.866 1.00 0.00 H new ATOM 630 N GLY A 43 -3.472 -5.809 5.827 1.00 0.00 N ATOM 631 CA GLY A 43 -2.150 -6.376 5.652 1.00 0.00 C ATOM 632 C GLY A 43 -2.267 -7.636 4.805 1.00 0.00 C ATOM 633 O GLY A 43 -2.878 -8.611 5.239 1.00 0.00 O ATOM 0 H GLY A 43 -4.139 -6.491 6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.491 -5.655 5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.709 -6.611 6.620 1.00 0.00 H new ATOM 637 N THR A 44 -1.670 -7.610 3.607 1.00 0.00 N ATOM 638 CA THR A 44 -1.642 -8.725 2.673 1.00 0.00 C ATOM 639 C THR A 44 -0.288 -9.404 2.845 1.00 0.00 C ATOM 640 O THR A 44 0.709 -8.956 2.284 1.00 0.00 O ATOM 641 CB THR A 44 -1.858 -8.203 1.244 1.00 0.00 C ATOM 642 OG1 THR A 44 -3.116 -7.561 1.176 1.00 0.00 O ATOM 643 CG2 THR A 44 -1.823 -9.342 0.218 1.00 0.00 C ATOM 0 H THR A 44 -1.181 -6.786 3.258 1.00 0.00 H new ATOM 0 HA THR A 44 -2.437 -9.446 2.864 1.00 0.00 H new ATOM 0 HB THR A 44 -1.053 -7.507 1.008 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.262 -7.223 0.268 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.979 -8.936 -0.782 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.854 -9.840 0.260 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.611 -10.061 0.445 1.00 0.00 H new ATOM 651 N VAL A 45 -0.267 -10.469 3.654 1.00 0.00 N ATOM 652 CA VAL A 45 0.944 -11.139 4.104 1.00 0.00 C ATOM 653 C VAL A 45 1.172 -12.389 3.259 1.00 0.00 C ATOM 654 O VAL A 45 0.255 -13.198 3.131 1.00 0.00 O ATOM 655 CB VAL A 45 0.813 -11.530 5.591 1.00 0.00 C ATOM 656 CG1 VAL A 45 2.210 -11.789 6.164 1.00 0.00 C ATOM 657 CG2 VAL A 45 0.091 -10.474 6.439 1.00 0.00 C ATOM 0 H VAL A 45 -1.118 -10.895 4.020 1.00 0.00 H new ATOM 0 HA VAL A 45 1.792 -10.463 3.993 1.00 0.00 H new ATOM 0 HB VAL A 45 0.200 -12.430 5.634 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.127 -12.066 7.215 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.685 -12.600 5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.814 -10.886 6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.034 -10.814 7.473 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.641 -9.534 6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.916 -10.323 6.051 1.00 0.00 H new ATOM 667 N GLU A 46 2.383 -12.556 2.713 1.00 0.00 N ATOM 668 CA GLU A 46 2.826 -13.787 2.070 1.00 0.00 C ATOM 669 C GLU A 46 3.675 -14.538 3.094 1.00 0.00 C ATOM 670 O GLU A 46 4.629 -13.972 3.625 1.00 0.00 O ATOM 671 CB GLU A 46 3.625 -13.466 0.803 1.00 0.00 C ATOM 672 CG GLU A 46 2.722 -12.832 -0.261 1.00 0.00 C ATOM 673 CD GLU A 46 3.486 -12.526 -1.545 1.00 0.00 C ATOM 674 OE1 GLU A 46 4.023 -13.490 -2.133 1.00 0.00 O ATOM 675 OE2 GLU A 46 3.522 -11.333 -1.920 1.00 0.00 O ATOM 0 H GLU A 46 3.091 -11.822 2.709 1.00 0.00 H new ATOM 0 HA GLU A 46 1.981 -14.401 1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.442 -12.787 1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.074 -14.378 0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.894 -13.505 -0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.289 -11.912 0.132 1.00 0.00 H new ATOM 682 N TYR A 47 3.311 -15.792 3.393 1.00 0.00 N ATOM 683 CA TYR A 47 3.879 -16.537 4.508 1.00 0.00 C ATOM 684 C TYR A 47 3.900 -18.044 4.248 1.00 0.00 C ATOM 685 O TYR A 47 3.329 -18.521 3.268 1.00 0.00 O ATOM 686 CB TYR A 47 3.067 -16.225 5.774 1.00 0.00 C ATOM 687 CG TYR A 47 1.672 -16.832 5.773 1.00 0.00 C ATOM 688 CD1 TYR A 47 0.673 -16.314 4.928 1.00 0.00 C ATOM 689 CD2 TYR A 47 1.412 -17.999 6.514 1.00 0.00 C ATOM 690 CE1 TYR A 47 -0.556 -16.980 4.796 1.00 0.00 C ATOM 691 CE2 TYR A 47 0.153 -18.619 6.441 1.00 0.00 C ATOM 692 CZ TYR A 47 -0.822 -18.125 5.561 1.00 0.00 C ATOM 693 OH TYR A 47 -2.026 -18.755 5.442 1.00 0.00 O ATOM 0 H TYR A 47 2.612 -16.313 2.863 1.00 0.00 H new ATOM 0 HA TYR A 47 4.916 -16.227 4.636 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.612 -16.592 6.644 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.983 -15.144 5.883 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.852 -15.401 4.379 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.183 -18.420 7.142 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.298 -16.610 4.104 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.064 -19.475 7.062 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.049 -19.531 6.039 1.00 0.00 H new ATOM 703 N ASP A 48 4.550 -18.780 5.159 1.00 0.00 N ATOM 704 CA ASP A 48 4.601 -20.236 5.184 1.00 0.00 C ATOM 705 C ASP A 48 3.700 -20.761 6.314 1.00 0.00 C ATOM 706 O ASP A 48 4.058 -20.594 7.480 1.00 0.00 O ATOM 707 CB ASP A 48 6.057 -20.684 5.390 1.00 0.00 C ATOM 708 CG ASP A 48 6.238 -22.203 5.465 1.00 0.00 C ATOM 709 OD1 ASP A 48 5.248 -22.935 5.246 1.00 0.00 O ATOM 710 OD2 ASP A 48 7.386 -22.613 5.746 1.00 0.00 O ATOM 0 H ASP A 48 5.073 -18.355 5.925 1.00 0.00 H new ATOM 0 HA ASP A 48 4.239 -20.642 4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.665 -20.296 4.572 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.437 -20.238 6.309 1.00 0.00 H new ATOM 715 N PRO A 49 2.564 -21.410 5.990 1.00 0.00 N ATOM 716 CA PRO A 49 1.694 -22.113 6.928 1.00 0.00 C ATOM 717 C PRO A 49 2.415 -22.928 8.003 1.00 0.00 C ATOM 718 O PRO A 49 2.000 -22.915 9.160 1.00 0.00 O ATOM 719 CB PRO A 49 0.808 -23.010 6.064 1.00 0.00 C ATOM 720 CG PRO A 49 0.647 -22.179 4.796 1.00 0.00 C ATOM 721 CD PRO A 49 2.018 -21.520 4.645 1.00 0.00 C ATOM 0 HA PRO A 49 1.134 -21.380 7.508 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.277 -23.973 5.863 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.151 -23.216 6.540 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.400 -22.800 3.935 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.148 -21.440 4.895 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.670 -22.118 4.008 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.929 -20.539 4.179 1.00 0.00 H new ATOM 729 N LEU A 50 3.483 -23.639 7.622 1.00 0.00 N ATOM 730 CA LEU A 50 4.235 -24.505 8.522 1.00 0.00 C ATOM 731 C LEU A 50 4.837 -23.724 9.695 1.00 0.00 C ATOM 732 O LEU A 50 4.921 -24.254 10.801 1.00 0.00 O ATOM 733 CB LEU A 50 5.349 -25.231 7.752 1.00 0.00 C ATOM 734 CG LEU A 50 4.864 -26.062 6.551 1.00 0.00 C ATOM 735 CD1 LEU A 50 6.084 -26.655 5.836 1.00 0.00 C ATOM 736 CD2 LEU A 50 3.924 -27.195 6.976 1.00 0.00 C ATOM 0 H LEU A 50 3.849 -23.625 6.670 1.00 0.00 H new ATOM 0 HA LEU A 50 3.538 -25.236 8.931 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.069 -24.492 7.399 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.879 -25.888 8.441 1.00 0.00 H new ATOM 0 HG LEU A 50 4.305 -25.403 5.886 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.753 -27.247 4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.731 -25.849 5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.637 -27.292 6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.607 -27.754 6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.446 -27.863 7.662 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.050 -26.775 7.473 1.00 0.00 H new ATOM 748 N LEU A 51 5.266 -22.480 9.448 1.00 0.00 N ATOM 749 CA LEU A 51 5.999 -21.661 10.404 1.00 0.00 C ATOM 750 C LEU A 51 5.094 -20.642 11.103 1.00 0.00 C ATOM 751 O LEU A 51 5.344 -20.318 12.263 1.00 0.00 O ATOM 752 CB LEU A 51 7.164 -20.972 9.679 1.00 0.00 C ATOM 753 CG LEU A 51 8.223 -21.957 9.150 1.00 0.00 C ATOM 754 CD1 LEU A 51 9.236 -21.200 8.282 1.00 0.00 C ATOM 755 CD2 LEU A 51 8.976 -22.664 10.285 1.00 0.00 C ATOM 0 H LEU A 51 5.106 -22.010 8.557 1.00 0.00 H new ATOM 0 HA LEU A 51 6.391 -22.306 11.190 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.770 -20.391 8.845 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.641 -20.268 10.361 1.00 0.00 H new ATOM 0 HG LEU A 51 7.700 -22.715 8.567 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.986 -21.896 7.907 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.720 -20.736 7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.723 -20.429 8.880 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.712 -23.348 9.863 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.483 -21.922 10.903 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.269 -23.224 10.897 1.00 0.00 H new ATOM 767 N THR A 52 4.057 -20.133 10.424 1.00 0.00 N ATOM 768 CA THR A 52 3.121 -19.168 10.995 1.00 0.00 C ATOM 769 C THR A 52 1.746 -19.331 10.347 1.00 0.00 C ATOM 770 O THR A 52 1.659 -19.779 9.208 1.00 0.00 O ATOM 771 CB THR A 52 3.684 -17.742 10.844 1.00 0.00 C ATOM 772 OG1 THR A 52 2.911 -16.822 11.582 1.00 0.00 O ATOM 773 CG2 THR A 52 3.742 -17.273 9.386 1.00 0.00 C ATOM 0 H THR A 52 3.847 -20.384 9.458 1.00 0.00 H new ATOM 0 HA THR A 52 2.996 -19.353 12.062 1.00 0.00 H new ATOM 0 HB THR A 52 4.703 -17.780 11.228 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.284 -15.922 11.476 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.147 -16.262 9.345 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.382 -17.944 8.813 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.738 -17.279 8.962 1.00 0.00 H new ATOM 781 N SER A 53 0.679 -18.973 11.075 1.00 0.00 N ATOM 782 CA SER A 53 -0.703 -19.040 10.607 1.00 0.00 C ATOM 783 C SER A 53 -1.305 -17.629 10.549 1.00 0.00 C ATOM 784 O SER A 53 -0.771 -16.725 11.189 1.00 0.00 O ATOM 785 CB SER A 53 -1.508 -19.938 11.556 1.00 0.00 C ATOM 786 OG SER A 53 -1.714 -19.298 12.797 1.00 0.00 O ATOM 0 H SER A 53 0.761 -18.621 12.029 1.00 0.00 H new ATOM 0 HA SER A 53 -0.736 -19.463 9.603 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.469 -20.183 11.104 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.979 -20.879 11.710 1.00 0.00 H new ATOM 0 HG SER A 53 -2.230 -19.886 13.387 1.00 0.00 H new ATOM 792 N PRO A 54 -2.420 -17.418 9.825 1.00 0.00 N ATOM 793 CA PRO A 54 -3.174 -16.170 9.860 1.00 0.00 C ATOM 794 C PRO A 54 -3.490 -15.712 11.286 1.00 0.00 C ATOM 795 O PRO A 54 -3.414 -14.522 11.578 1.00 0.00 O ATOM 796 CB PRO A 54 -4.452 -16.433 9.056 1.00 0.00 C ATOM 797 CG PRO A 54 -4.016 -17.518 8.075 1.00 0.00 C ATOM 798 CD PRO A 54 -3.058 -18.359 8.918 1.00 0.00 C ATOM 0 HA PRO A 54 -2.589 -15.356 9.432 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.269 -16.769 9.694 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.798 -15.537 8.541 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.862 -18.104 7.716 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.523 -17.098 7.198 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.593 -19.134 9.467 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.322 -18.863 8.292 1.00 0.00 H new ATOM 806 N GLU A 55 -3.831 -16.657 12.171 1.00 0.00 N ATOM 807 CA GLU A 55 -4.128 -16.390 13.571 1.00 0.00 C ATOM 808 C GLU A 55 -2.890 -15.900 14.326 1.00 0.00 C ATOM 809 O GLU A 55 -3.003 -15.009 15.165 1.00 0.00 O ATOM 810 CB GLU A 55 -4.705 -17.645 14.233 1.00 0.00 C ATOM 811 CG GLU A 55 -6.047 -18.035 13.605 1.00 0.00 C ATOM 812 CD GLU A 55 -6.705 -19.162 14.391 1.00 0.00 C ATOM 813 OE1 GLU A 55 -7.461 -18.833 15.332 1.00 0.00 O ATOM 814 OE2 GLU A 55 -6.438 -20.333 14.041 1.00 0.00 O ATOM 0 H GLU A 55 -3.908 -17.643 11.923 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.871 -15.593 13.613 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.000 -18.470 14.132 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.838 -17.468 15.300 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.708 -17.168 13.581 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.893 -18.348 12.572 1.00 0.00 H new ATOM 821 N THR A 56 -1.712 -16.469 14.037 1.00 0.00 N ATOM 822 CA THR A 56 -0.453 -16.031 14.630 1.00 0.00 C ATOM 823 C THR A 56 -0.142 -14.593 14.208 1.00 0.00 C ATOM 824 O THR A 56 0.205 -13.764 15.046 1.00 0.00 O ATOM 825 CB THR A 56 0.682 -16.980 14.217 1.00 0.00 C ATOM 826 OG1 THR A 56 0.319 -18.322 14.465 1.00 0.00 O ATOM 827 CG2 THR A 56 1.982 -16.672 14.966 1.00 0.00 C ATOM 0 H THR A 56 -1.611 -17.246 13.384 1.00 0.00 H new ATOM 0 HA THR A 56 -0.543 -16.056 15.716 1.00 0.00 H new ATOM 0 HB THR A 56 0.850 -16.830 13.151 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.336 -18.613 13.797 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.760 -17.365 14.645 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.294 -15.651 14.748 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.819 -16.781 16.038 1.00 0.00 H new ATOM 835 N LEU A 57 -0.268 -14.304 12.907 1.00 0.00 N ATOM 836 CA LEU A 57 0.004 -12.992 12.330 1.00 0.00 C ATOM 837 C LEU A 57 -0.944 -11.945 12.918 1.00 0.00 C ATOM 838 O LEU A 57 -0.497 -10.896 13.375 1.00 0.00 O ATOM 839 CB LEU A 57 -0.117 -13.067 10.802 1.00 0.00 C ATOM 840 CG LEU A 57 0.909 -14.019 10.165 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.526 -14.295 8.707 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.330 -13.454 10.228 1.00 0.00 C ATOM 0 H LEU A 57 -0.568 -14.992 12.217 1.00 0.00 H new ATOM 0 HA LEU A 57 1.021 -12.689 12.578 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.122 -13.396 10.538 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.012 -12.069 10.383 1.00 0.00 H new ATOM 0 HG LEU A 57 0.896 -14.948 10.735 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.256 -14.970 8.261 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.462 -14.754 8.671 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.511 -13.358 8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.022 -14.158 9.767 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.368 -12.505 9.693 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.613 -13.296 11.269 1.00 0.00 H new ATOM 854 N ARG A 58 -2.246 -12.253 12.929 1.00 0.00 N ATOM 855 CA ARG A 58 -3.276 -11.483 13.611 1.00 0.00 C ATOM 856 C ARG A 58 -2.852 -11.209 15.057 1.00 0.00 C ATOM 857 O ARG A 58 -2.931 -10.072 15.515 1.00 0.00 O ATOM 858 CB ARG A 58 -4.587 -12.277 13.551 1.00 0.00 C ATOM 859 CG ARG A 58 -5.751 -11.608 14.296 1.00 0.00 C ATOM 860 CD ARG A 58 -6.937 -12.566 14.423 1.00 0.00 C ATOM 861 NE ARG A 58 -6.587 -13.741 15.230 1.00 0.00 N ATOM 862 CZ ARG A 58 -7.418 -14.756 15.520 1.00 0.00 C ATOM 863 NH1 ARG A 58 -8.693 -14.741 15.110 1.00 0.00 N ATOM 864 NH2 ARG A 58 -6.962 -15.796 16.231 1.00 0.00 N ATOM 0 H ARG A 58 -2.617 -13.072 12.447 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.420 -10.518 13.125 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.869 -12.417 12.507 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.420 -13.268 13.972 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.423 -11.295 15.287 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.060 -10.708 13.764 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.780 -12.047 14.879 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.258 -12.885 13.431 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.638 -13.791 15.600 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.046 -13.951 14.569 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.311 -15.519 15.338 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.992 -15.812 16.547 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.585 -16.572 16.457 1.00 0.00 H new ATOM 878 N GLY A 59 -2.397 -12.250 15.765 1.00 0.00 N ATOM 879 CA GLY A 59 -1.916 -12.168 17.134 1.00 0.00 C ATOM 880 C GLY A 59 -0.780 -11.158 17.293 1.00 0.00 C ATOM 881 O GLY A 59 -0.814 -10.350 18.217 1.00 0.00 O ATOM 0 H GLY A 59 -2.355 -13.195 15.383 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.741 -11.889 17.790 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.572 -13.151 17.455 1.00 0.00 H new ATOM 885 N ALA A 60 0.220 -11.197 16.404 1.00 0.00 N ATOM 886 CA ALA A 60 1.361 -10.289 16.433 1.00 0.00 C ATOM 887 C ALA A 60 0.921 -8.836 16.227 1.00 0.00 C ATOM 888 O ALA A 60 1.359 -7.944 16.953 1.00 0.00 O ATOM 889 CB ALA A 60 2.382 -10.710 15.373 1.00 0.00 C ATOM 0 H ALA A 60 0.255 -11.869 15.638 1.00 0.00 H new ATOM 0 HA ALA A 60 1.828 -10.348 17.416 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.233 -10.030 15.397 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.723 -11.725 15.579 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.918 -10.676 14.387 1.00 0.00 H new ATOM 895 N ILE A 61 0.048 -8.601 15.242 1.00 0.00 N ATOM 896 CA ILE A 61 -0.512 -7.287 14.951 1.00 0.00 C ATOM 897 C ILE A 61 -1.291 -6.769 16.169 1.00 0.00 C ATOM 898 O ILE A 61 -1.156 -5.607 16.551 1.00 0.00 O ATOM 899 CB ILE A 61 -1.372 -7.372 13.675 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.503 -7.724 12.450 1.00 0.00 C ATOM 901 CG2 ILE A 61 -2.086 -6.039 13.421 1.00 0.00 C ATOM 902 CD1 ILE A 61 -1.330 -8.297 11.293 1.00 0.00 C ATOM 0 H ILE A 61 -0.291 -9.333 14.618 1.00 0.00 H new ATOM 0 HA ILE A 61 0.282 -6.565 14.759 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.112 -8.158 13.824 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.021 -6.831 12.111 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.257 -8.448 12.743 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.689 -6.116 12.516 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.731 -5.804 14.268 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.346 -5.248 13.298 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.672 -8.528 10.455 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.833 -9.206 11.621 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.073 -7.564 10.979 1.00 0.00 H new ATOM 914 N GLU A 62 -2.096 -7.641 16.785 1.00 0.00 N ATOM 915 CA GLU A 62 -2.882 -7.323 17.965 1.00 0.00 C ATOM 916 C GLU A 62 -1.979 -7.013 19.164 1.00 0.00 C ATOM 917 O GLU A 62 -2.277 -6.105 19.937 1.00 0.00 O ATOM 918 CB GLU A 62 -3.847 -8.482 18.257 1.00 0.00 C ATOM 919 CG GLU A 62 -5.020 -8.054 19.146 1.00 0.00 C ATOM 920 CD GLU A 62 -5.931 -7.056 18.433 1.00 0.00 C ATOM 921 OE1 GLU A 62 -6.531 -7.460 17.412 1.00 0.00 O ATOM 922 OE2 GLU A 62 -6.008 -5.905 18.916 1.00 0.00 O ATOM 0 H GLU A 62 -2.216 -8.602 16.466 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.468 -6.423 17.778 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.232 -8.877 17.317 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.302 -9.291 18.743 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.597 -8.932 19.435 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.638 -7.607 20.064 1.00 0.00 H new ATOM 929 N ASP A 63 -0.876 -7.758 19.307 1.00 0.00 N ATOM 930 CA ASP A 63 0.104 -7.576 20.368 1.00 0.00 C ATOM 931 C ASP A 63 0.758 -6.197 20.273 1.00 0.00 C ATOM 932 O ASP A 63 0.903 -5.526 21.293 1.00 0.00 O ATOM 933 CB ASP A 63 1.145 -8.701 20.316 1.00 0.00 C ATOM 934 CG ASP A 63 2.172 -8.568 21.436 1.00 0.00 C ATOM 935 OD1 ASP A 63 1.835 -8.976 22.569 1.00 0.00 O ATOM 936 OD2 ASP A 63 3.274 -8.059 21.140 1.00 0.00 O ATOM 0 H ASP A 63 -0.641 -8.519 18.670 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.402 -7.627 21.332 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.643 -9.666 20.394 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.653 -8.683 19.352 1.00 0.00 H new ATOM 941 N MET A 64 1.137 -5.768 19.061 1.00 0.00 N ATOM 942 CA MET A 64 1.625 -4.412 18.832 1.00 0.00 C ATOM 943 C MET A 64 0.561 -3.392 19.245 1.00 0.00 C ATOM 944 O MET A 64 0.871 -2.458 19.983 1.00 0.00 O ATOM 945 CB MET A 64 2.036 -4.211 17.369 1.00 0.00 C ATOM 946 CG MET A 64 3.351 -4.927 17.046 1.00 0.00 C ATOM 947 SD MET A 64 4.044 -4.533 15.417 1.00 0.00 S ATOM 948 CE MET A 64 2.764 -5.236 14.356 1.00 0.00 C ATOM 0 H MET A 64 1.112 -6.349 18.223 1.00 0.00 H new ATOM 0 HA MET A 64 2.512 -4.258 19.447 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.248 -4.585 16.715 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.142 -3.146 17.164 1.00 0.00 H new ATOM 0 HG2 MET A 64 4.085 -4.672 17.810 1.00 0.00 H new ATOM 0 HG3 MET A 64 3.188 -6.003 17.107 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.104 -5.225 13.320 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.562 -6.263 14.661 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.852 -4.645 14.445 1.00 0.00 H new ATOM 958 N GLY A 65 -0.684 -3.586 18.789 1.00 0.00 N ATOM 959 CA GLY A 65 -1.836 -2.822 19.247 1.00 0.00 C ATOM 960 C GLY A 65 -2.635 -2.257 18.081 1.00 0.00 C ATOM 961 O GLY A 65 -2.805 -1.043 17.983 1.00 0.00 O ATOM 0 H GLY A 65 -0.914 -4.287 18.085 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.479 -3.460 19.853 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.501 -2.007 19.888 1.00 0.00 H new ATOM 965 N PHE A 66 -3.140 -3.142 17.213 1.00 0.00 N ATOM 966 CA PHE A 66 -4.054 -2.784 16.136 1.00 0.00 C ATOM 967 C PHE A 66 -5.116 -3.877 16.028 1.00 0.00 C ATOM 968 O PHE A 66 -4.787 -5.058 16.118 1.00 0.00 O ATOM 969 CB PHE A 66 -3.296 -2.623 14.813 1.00 0.00 C ATOM 970 CG PHE A 66 -2.044 -1.771 14.884 1.00 0.00 C ATOM 971 CD1 PHE A 66 -2.142 -0.370 14.840 1.00 0.00 C ATOM 972 CD2 PHE A 66 -0.784 -2.380 15.039 1.00 0.00 C ATOM 973 CE1 PHE A 66 -0.985 0.422 14.947 1.00 0.00 C ATOM 974 CE2 PHE A 66 0.373 -1.590 15.137 1.00 0.00 C ATOM 975 CZ PHE A 66 0.274 -0.190 15.087 1.00 0.00 C ATOM 0 H PHE A 66 -2.919 -4.137 17.244 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.530 -1.828 16.353 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.022 -3.613 14.447 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.971 -2.187 14.077 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.108 0.099 14.724 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.707 -3.456 15.083 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.063 1.499 14.922 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.339 -2.059 15.251 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.165 0.417 15.156 1.00 0.00 H new ATOM 985 N ASP A 67 -6.383 -3.487 15.845 1.00 0.00 N ATOM 986 CA ASP A 67 -7.509 -4.408 15.797 1.00 0.00 C ATOM 987 C ASP A 67 -7.438 -5.247 14.520 1.00 0.00 C ATOM 988 O ASP A 67 -7.851 -4.793 13.454 1.00 0.00 O ATOM 989 CB ASP A 67 -8.820 -3.621 15.902 1.00 0.00 C ATOM 990 CG ASP A 67 -10.037 -4.530 15.752 1.00 0.00 C ATOM 991 OD1 ASP A 67 -10.216 -5.392 16.639 1.00 0.00 O ATOM 992 OD2 ASP A 67 -10.766 -4.350 14.752 1.00 0.00 O ATOM 0 H ASP A 67 -6.651 -2.510 15.725 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.468 -5.096 16.641 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.863 -3.112 16.865 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.844 -2.850 15.132 1.00 0.00 H new ATOM 997 N ALA A 68 -6.905 -6.468 14.644 1.00 0.00 N ATOM 998 CA ALA A 68 -6.648 -7.378 13.538 1.00 0.00 C ATOM 999 C ALA A 68 -7.759 -8.423 13.446 1.00 0.00 C ATOM 1000 O ALA A 68 -8.138 -9.010 14.458 1.00 0.00 O ATOM 1001 CB ALA A 68 -5.288 -8.042 13.751 1.00 0.00 C ATOM 0 H ALA A 68 -6.635 -6.856 15.548 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.632 -6.826 12.598 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.084 -8.727 12.928 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.512 -7.278 13.788 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.297 -8.596 14.690 1.00 0.00 H new ATOM 1007 N THR A 69 -8.275 -8.653 12.232 1.00 0.00 N ATOM 1008 CA THR A 69 -9.328 -9.624 11.949 1.00 0.00 C ATOM 1009 C THR A 69 -9.057 -10.243 10.575 1.00 0.00 C ATOM 1010 O THR A 69 -8.677 -9.530 9.650 1.00 0.00 O ATOM 1011 CB THR A 69 -10.697 -8.924 11.991 1.00 0.00 C ATOM 1012 OG1 THR A 69 -10.905 -8.336 13.259 1.00 0.00 O ATOM 1013 CG2 THR A 69 -11.848 -9.901 11.731 1.00 0.00 C ATOM 0 H THR A 69 -7.960 -8.153 11.400 1.00 0.00 H new ATOM 0 HA THR A 69 -9.337 -10.416 12.697 1.00 0.00 H new ATOM 0 HB THR A 69 -10.687 -8.167 11.207 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.778 -7.892 13.274 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.796 -9.365 11.770 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.727 -10.353 10.746 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.841 -10.682 12.492 1.00 0.00 H new ATOM 1021 N LEU A 70 -9.246 -11.563 10.437 1.00 0.00 N ATOM 1022 CA LEU A 70 -8.978 -12.272 9.191 1.00 0.00 C ATOM 1023 C LEU A 70 -9.939 -11.799 8.097 1.00 0.00 C ATOM 1024 O LEU A 70 -11.078 -11.433 8.384 1.00 0.00 O ATOM 1025 CB LEU A 70 -9.108 -13.798 9.356 1.00 0.00 C ATOM 1026 CG LEU A 70 -8.197 -14.489 10.390 1.00 0.00 C ATOM 1027 CD1 LEU A 70 -6.807 -13.854 10.507 1.00 0.00 C ATOM 1028 CD2 LEU A 70 -8.858 -14.609 11.766 1.00 0.00 C ATOM 0 H LEU A 70 -9.588 -12.162 11.188 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.950 -12.048 8.908 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.142 -14.020 9.620 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.921 -14.257 8.385 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.048 -15.496 9.999 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.223 -14.393 11.253 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.301 -13.906 9.543 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.908 -12.811 10.809 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.174 -15.103 12.456 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.098 -13.615 12.142 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.773 -15.195 11.680 1.00 0.00 H new